smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc2ccc3ccc(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)nc3c2n1 ZINC001164783604 721412203 /nfs/dbraw/zinc/41/22/03/721412203.db2.gz JBBBEKZONUYWIN-IAGOWNOFSA-N 1 1 421.957 4.461 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001165026951 721808060 /nfs/dbraw/zinc/80/80/60/721808060.db2.gz SWRJNTPGYWTZCZ-RZFNWQHOSA-N 1 1 417.513 4.275 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436246100 861555539 /nfs/dbraw/zinc/55/55/39/861555539.db2.gz JFLCQPGTDSGJFP-ZIFCJYIRSA-N 1 1 403.526 4.159 20 5 HIBDMO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccco1 ZINC000436311906 861616280 /nfs/dbraw/zinc/61/62/80/861616280.db2.gz YKAQIQMZTGLNMN-IBGZPJMESA-N 1 1 421.472 4.226 20 5 HIBDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000017590264 846260467 /nfs/dbraw/zinc/26/04/67/846260467.db2.gz DOTMIMKKQUGCIU-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000018941782 846347432 /nfs/dbraw/zinc/34/74/32/846347432.db2.gz UGEHGWGTSUJACU-CQSZACIVSA-N 1 1 410.499 4.411 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000025181742 846937620 /nfs/dbraw/zinc/93/76/20/846937620.db2.gz TXZMVZUFAXPOIC-UGSOOPFHSA-N 1 1 407.923 4.148 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025398236 846972633 /nfs/dbraw/zinc/97/26/33/846972633.db2.gz UNYNKGLYADFIRX-OAQYLSRUSA-N 1 1 417.465 4.190 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025398236 846972639 /nfs/dbraw/zinc/97/26/39/846972639.db2.gz UNYNKGLYADFIRX-OAQYLSRUSA-N 1 1 417.465 4.190 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000026224847 847106101 /nfs/dbraw/zinc/10/61/01/847106101.db2.gz GYGDTENWEBCXHM-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133709 849436020 /nfs/dbraw/zinc/43/60/20/849436020.db2.gz OJLDCAINXQPFOU-WMZHIEFXSA-N 1 1 411.502 4.332 20 5 HIBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133767 849436052 /nfs/dbraw/zinc/43/60/52/849436052.db2.gz DQUFYSHJACKIST-HRAATJIYSA-N 1 1 417.893 4.286 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000052611810 849602364 /nfs/dbraw/zinc/60/23/64/849602364.db2.gz WFDIWLDVQNYLEZ-OAHLLOKOSA-N 1 1 405.414 4.166 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cc(Br)cs1 ZINC000052847953 849632777 /nfs/dbraw/zinc/63/27/77/849632777.db2.gz CRDIZNSZEOOHTQ-UHFFFAOYSA-N 1 1 412.309 4.188 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000058952298 850966554 /nfs/dbraw/zinc/96/65/54/850966554.db2.gz TYGZNCQQZQLKHK-QGZVFWFLSA-N 1 1 413.543 4.235 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000060269513 851057336 /nfs/dbraw/zinc/05/73/36/851057336.db2.gz YTIIMWJMOOOBEK-FQEVSTJZSA-N 1 1 415.465 4.052 20 5 HIBDMO COc1cc(CNCC2([NH+](C)C)CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061555453 851403364 /nfs/dbraw/zinc/40/33/64/851403364.db2.gz VCIQVMSOJALQEH-UHFFFAOYSA-N 1 1 413.518 4.146 20 5 HIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000062264176 851518180 /nfs/dbraw/zinc/51/81/80/851518180.db2.gz ZMPYLRMFDQHMQU-UHFFFAOYSA-N 1 1 408.458 4.371 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000063493941 851701913 /nfs/dbraw/zinc/70/19/13/851701913.db2.gz KBWNRQXRFFIZQB-QHCPKHFHSA-N 1 1 404.470 4.139 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000063493941 851701917 /nfs/dbraw/zinc/70/19/17/851701917.db2.gz KBWNRQXRFFIZQB-QHCPKHFHSA-N 1 1 404.470 4.139 20 5 HIBDMO COc1ccc(CN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)cc1 ZINC000064350258 851876444 /nfs/dbraw/zinc/87/64/44/851876444.db2.gz SEOKYHQLHDFWHF-UHFFFAOYSA-N 1 1 411.502 4.005 20 5 HIBDMO COc1ccc(CN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)cc1 ZINC000064350258 851876448 /nfs/dbraw/zinc/87/64/48/851876448.db2.gz SEOKYHQLHDFWHF-UHFFFAOYSA-N 1 1 411.502 4.005 20 5 HIBDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000064448242 851900024 /nfs/dbraw/zinc/90/00/24/851900024.db2.gz LBEZPDVCQOSXAN-UHFFFAOYSA-N 1 1 421.419 4.350 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000064735380 851970794 /nfs/dbraw/zinc/97/07/94/851970794.db2.gz BOSUKONUHNXCJD-ZCNNSNEGSA-N 1 1 417.553 4.019 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000065102266 852064036 /nfs/dbraw/zinc/06/40/36/852064036.db2.gz TWLWULDJSACHGT-IYBDPMFKSA-N 1 1 416.547 4.206 20 5 HIBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000071892184 852426337 /nfs/dbraw/zinc/42/63/37/852426337.db2.gz PJIRNEZQEGCSLI-GOSISDBHSA-N 1 1 408.285 4.469 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)C1 ZINC000071931703 852435348 /nfs/dbraw/zinc/43/53/48/852435348.db2.gz XGFFPBPYNKAZPM-QGZVFWFLSA-N 1 1 419.485 4.265 20 5 HIBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000071950623 852442782 /nfs/dbraw/zinc/44/27/82/852442782.db2.gz UMUFXQLOAAUDOG-UHFFFAOYSA-N 1 1 415.799 4.380 20 5 HIBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000071950623 852442784 /nfs/dbraw/zinc/44/27/84/852442784.db2.gz UMUFXQLOAAUDOG-UHFFFAOYSA-N 1 1 415.799 4.380 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C2CC2)cc1 ZINC000096981767 852567874 /nfs/dbraw/zinc/56/78/74/852567874.db2.gz PAQFBOVEUWPULP-HNNXBMFYSA-N 1 1 408.458 4.454 20 5 HIBDMO COc1ccc(C[N@H+]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 ZINC000105432829 852705499 /nfs/dbraw/zinc/70/54/99/852705499.db2.gz ONSJWMZTXWPWDN-UHFFFAOYSA-N 1 1 420.307 4.078 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000140107918 853434179 /nfs/dbraw/zinc/43/41/79/853434179.db2.gz OYCYAKIAAIRBRH-CQSZACIVSA-N 1 1 405.545 4.020 20 5 HIBDMO CC(=O)N(c1nc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cs1)c1ccc(F)cc1 ZINC000236790157 853923280 /nfs/dbraw/zinc/92/32/80/853923280.db2.gz ZTTQHUCVJQAMIO-UHFFFAOYSA-N 1 1 414.462 4.207 20 5 HIBDMO CC[N@@H+]1CCC[C@H](CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000236933100 853939199 /nfs/dbraw/zinc/93/91/99/853939199.db2.gz MXUJADJJVQSCDD-HXUWFJFHSA-N 1 1 413.518 4.004 20 5 HIBDMO CC[N@H+]1CCC[C@H](CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000236933100 853939201 /nfs/dbraw/zinc/93/92/01/853939201.db2.gz MXUJADJJVQSCDD-HXUWFJFHSA-N 1 1 413.518 4.004 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000237200059 853981242 /nfs/dbraw/zinc/98/12/42/853981242.db2.gz NXEVLPZFNGLLHE-UHFFFAOYSA-N 1 1 406.486 4.432 20 5 HIBDMO COc1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237271731 853995545 /nfs/dbraw/zinc/99/55/45/853995545.db2.gz RJRZEVDUJMCWIU-UHFFFAOYSA-N 1 1 418.453 4.120 20 5 HIBDMO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NCc1ccccc1 ZINC000237420864 854029548 /nfs/dbraw/zinc/02/95/48/854029548.db2.gz JFLPSSSJLFNGNB-CQSZACIVSA-N 1 1 413.861 4.303 20 5 HIBDMO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3OC)c2)cc1 ZINC000237467206 854039046 /nfs/dbraw/zinc/03/90/46/854039046.db2.gz INOJRTROLOSXPK-UHFFFAOYSA-N 1 1 421.453 4.154 20 5 HIBDMO Cn1cc(C[NH2+]Cc2csc(-c3ccccc3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237783344 854097148 /nfs/dbraw/zinc/09/71/48/854097148.db2.gz VJURKHIQWJBYPY-UHFFFAOYSA-N 1 1 405.483 4.409 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCS(=O)(=O)c3ccccc3)o2)c(Cl)c1 ZINC000237815888 854102166 /nfs/dbraw/zinc/10/21/66/854102166.db2.gz UTJTYPBNOAJWDM-UHFFFAOYSA-N 1 1 420.874 4.072 20 5 HIBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000251223124 854197498 /nfs/dbraw/zinc/19/74/98/854197498.db2.gz IOIXGUQQEGATMY-DNVCBOLYSA-N 1 1 400.866 4.396 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)cc2)C1 ZINC000301336397 854363394 /nfs/dbraw/zinc/36/33/94/854363394.db2.gz CZRPPZHQMISZFD-KRWDZBQOSA-N 1 1 424.501 4.395 20 5 HIBDMO Cc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301425900 854391631 /nfs/dbraw/zinc/39/16/31/854391631.db2.gz CJNBLZNWQOEDSR-UHFFFAOYSA-N 1 1 402.882 4.072 20 5 HIBDMO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[NH+]1CCCC1 ZINC000301534765 854415113 /nfs/dbraw/zinc/41/51/13/854415113.db2.gz MHBDXIRMGKRCTK-INIZCTEOSA-N 1 1 421.295 4.010 20 5 HIBDMO C[N@@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301856410 854476633 /nfs/dbraw/zinc/47/66/33/854476633.db2.gz RKSONMWRNZVUQG-FOIQADDNSA-N 1 1 418.856 4.129 20 5 HIBDMO C[N@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301856410 854476640 /nfs/dbraw/zinc/47/66/40/854476640.db2.gz RKSONMWRNZVUQG-FOIQADDNSA-N 1 1 418.856 4.129 20 5 HIBDMO C[C@@H]1C[N@H+](CC2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000301973153 854507205 /nfs/dbraw/zinc/50/72/05/854507205.db2.gz AAVFWJXSZFSBLD-CALCHBBNSA-N 1 1 405.539 4.098 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000302164711 854540587 /nfs/dbraw/zinc/54/05/87/854540587.db2.gz KNCLYLHESHEHBZ-CYBMUJFWSA-N 1 1 409.533 4.178 20 5 HIBDMO Cc1cc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cc3Br)CC2)nc(C)[nH+]1 ZINC000302697196 854607269 /nfs/dbraw/zinc/60/72/69/854607269.db2.gz TUOCWVMFQHYXIP-UHFFFAOYSA-N 1 1 420.311 4.153 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000302811355 854642784 /nfs/dbraw/zinc/64/27/84/854642784.db2.gz PVSQXTBZSGCIKQ-QRWLVFNGSA-N 1 1 416.524 4.105 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000303448214 854947353 /nfs/dbraw/zinc/94/73/53/854947353.db2.gz HONHUMPVOBYJQU-UHFFFAOYSA-N 1 1 411.502 4.161 20 5 HIBDMO CCC(CC)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[NH2+][C@H](C)c1ccccc1 ZINC000303478458 854973820 /nfs/dbraw/zinc/97/38/20/854973820.db2.gz PLFNQCWZBGMTEV-OAHLLOKOSA-N 1 1 409.490 4.111 20 5 HIBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000303766309 855184691 /nfs/dbraw/zinc/18/46/91/855184691.db2.gz PRTIITKQHGVZRV-IBGZPJMESA-N 1 1 417.893 4.453 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303809745 855213788 /nfs/dbraw/zinc/21/37/88/855213788.db2.gz YQDTWBFSXKQEMJ-DOTOQJQBSA-N 1 1 401.894 4.373 20 5 HIBDMO COc1ccc(C[NH2+]Cc2cn3ccsc3n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409489732 855506214 /nfs/dbraw/zinc/50/62/14/855506214.db2.gz AKJZBWTUCJUGRD-UHFFFAOYSA-N 1 1 424.482 4.181 20 5 HIBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)C[C@H]2C1 ZINC000427775872 856949452 /nfs/dbraw/zinc/94/94/52/856949452.db2.gz DYRGMQZKNHXVPI-OKILXGFUSA-N 1 1 417.918 4.033 20 5 HIBDMO CC[C@@]1(CO)CCC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000428451565 857207052 /nfs/dbraw/zinc/20/70/52/857207052.db2.gz CLDSPGJVQLAXAR-HSZRJFAPSA-N 1 1 414.502 4.167 20 5 HIBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000428451565 857207066 /nfs/dbraw/zinc/20/70/66/857207066.db2.gz CLDSPGJVQLAXAR-HSZRJFAPSA-N 1 1 414.502 4.167 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000428730952 857312726 /nfs/dbraw/zinc/31/27/26/857312726.db2.gz XHWBFCNBGYRYHS-QZTJIDSGSA-N 1 1 405.564 4.289 20 5 HIBDMO CCCOc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000437608179 862924001 /nfs/dbraw/zinc/92/40/01/862924001.db2.gz UEQISNLFEUJBFM-HZPDHXFCSA-N 1 1 422.526 4.119 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)O[C@]4(CCO[C@@H](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430765692 858296012 /nfs/dbraw/zinc/29/60/12/858296012.db2.gz GGEKLFBBSPZTOV-WCJKSRRJSA-N 1 1 416.474 4.022 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000431685795 858739684 /nfs/dbraw/zinc/73/96/84/858739684.db2.gz LEBARSDNINBHAZ-DNVCBOLYSA-N 1 1 416.547 4.274 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432019609 858932737 /nfs/dbraw/zinc/93/27/37/858932737.db2.gz LSTCNQHUYXTKJD-GOSISDBHSA-N 1 1 417.412 4.398 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432019609 858932743 /nfs/dbraw/zinc/93/27/43/858932743.db2.gz LSTCNQHUYXTKJD-GOSISDBHSA-N 1 1 417.412 4.398 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000432774836 859353861 /nfs/dbraw/zinc/35/38/61/859353861.db2.gz FMPZEEWMDHOJMK-IAGOWNOFSA-N 1 1 415.456 4.241 20 5 HIBDMO C[C@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433022503 859483456 /nfs/dbraw/zinc/48/34/56/859483456.db2.gz VTBHALPOPXYVCW-AWEZNQCLSA-N 1 1 407.923 4.440 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302345 859625824 /nfs/dbraw/zinc/62/58/24/859625824.db2.gz IUJDXMCFJLXNNO-OAHLLOKOSA-N 1 1 403.866 4.075 20 5 HIBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000434311615 860273734 /nfs/dbraw/zinc/27/37/34/860273734.db2.gz HRIBWVCSPCFZJT-IBGZPJMESA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000434316637 860276804 /nfs/dbraw/zinc/27/68/04/860276804.db2.gz NFTYMRIVXKEUNX-HXUWFJFHSA-N 1 1 419.485 4.107 20 5 HIBDMO C[N@@H+](CCCCCO)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000434688321 860461735 /nfs/dbraw/zinc/46/17/35/860461735.db2.gz KZJXSZLTSXOQJN-IBGZPJMESA-N 1 1 405.882 4.022 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000434856731 860525267 /nfs/dbraw/zinc/52/52/67/860525267.db2.gz UKEBTFWBWQPWGK-CQSZACIVSA-N 1 1 423.404 4.305 20 5 HIBDMO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435283454 860718158 /nfs/dbraw/zinc/71/81/58/860718158.db2.gz XXLUAZBSZAAQOR-FQEVSTJZSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438953399 864425180 /nfs/dbraw/zinc/42/51/80/864425180.db2.gz OLWONKGMQGJLGS-DOTOQJQBSA-N 1 1 401.894 4.197 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000440546581 865814193 /nfs/dbraw/zinc/81/41/93/865814193.db2.gz XZVYIHSJQQSXQT-GOSISDBHSA-N 1 1 413.543 4.301 20 5 HIBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441062673 866143485 /nfs/dbraw/zinc/14/34/85/866143485.db2.gz NMVJGDFNOPFYNB-AEFFLSMTSA-N 1 1 411.527 4.302 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000441230010 866306854 /nfs/dbraw/zinc/30/68/54/866306854.db2.gz KUFPBTPKXCSEAJ-UHFFFAOYSA-N 1 1 403.866 4.250 20 5 HIBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442730824 867652581 /nfs/dbraw/zinc/65/25/81/867652581.db2.gz FZTPZYGZEXNHJU-MRXNPFEDSA-N 1 1 411.527 4.493 20 5 HIBDMO COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071806 867809942 /nfs/dbraw/zinc/80/99/42/867809942.db2.gz QPRREAFBTFDBJW-UZLBHIALSA-N 1 1 400.475 4.182 20 5 HIBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000443589583 868144616 /nfs/dbraw/zinc/14/46/16/868144616.db2.gz GTABCMJLSWOWPJ-QGZVFWFLSA-N 1 1 424.892 4.095 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443597302 868152719 /nfs/dbraw/zinc/15/27/19/868152719.db2.gz CTRIYMPKRMQYAZ-KRWDZBQOSA-N 1 1 413.522 4.294 20 5 HIBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648546 868241746 /nfs/dbraw/zinc/24/17/46/868241746.db2.gz YYXDTGWLZJOVOC-KGLIPLIRSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648546 868241777 /nfs/dbraw/zinc/24/17/77/868241777.db2.gz YYXDTGWLZJOVOC-KGLIPLIRSA-N 1 1 412.421 4.082 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)n2)cc1 ZINC000443650334 868242815 /nfs/dbraw/zinc/24/28/15/868242815.db2.gz IJZNVHVQXMKPJG-AWEZNQCLSA-N 1 1 423.404 4.305 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650959 868244511 /nfs/dbraw/zinc/24/45/11/868244511.db2.gz QMYIGGRULCCCKK-UONOGXRCSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650959 868244541 /nfs/dbraw/zinc/24/45/41/868244541.db2.gz QMYIGGRULCCCKK-UONOGXRCSA-N 1 1 412.421 4.082 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444009090 868532671 /nfs/dbraw/zinc/53/26/71/868532671.db2.gz IMWPFLVZPSASRH-FQEVSTJZSA-N 1 1 417.553 4.456 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444177339 868650427 /nfs/dbraw/zinc/65/04/27/868650427.db2.gz UZYJEEGTGNGAMF-SJLPKXTDSA-N 1 1 408.458 4.245 20 5 HIBDMO Cc1cccc2nc(C3CC[NH+](Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)CC3)oc21 ZINC000444758127 868988220 /nfs/dbraw/zinc/98/82/20/868988220.db2.gz BSXFDAPGPPCCSW-UHFFFAOYSA-N 1 1 419.441 4.474 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000444779773 868999808 /nfs/dbraw/zinc/99/98/08/868999808.db2.gz LOCBOAZQHBOGAW-MRXNPFEDSA-N 1 1 411.380 4.134 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000444932674 869114463 /nfs/dbraw/zinc/11/44/63/869114463.db2.gz WONNFFRYZLDRDU-QHCPKHFHSA-N 1 1 424.501 4.123 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445177654 869262231 /nfs/dbraw/zinc/26/22/31/869262231.db2.gz CJHROKOATMZOOK-LJQANCHMSA-N 1 1 417.553 4.456 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445185522 869264819 /nfs/dbraw/zinc/26/48/19/869264819.db2.gz QFLKUMQHDUISJN-CALCHBBNSA-N 1 1 405.542 4.168 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000446023981 869990838 /nfs/dbraw/zinc/99/08/38/869990838.db2.gz LTJUQSUBIROIDX-UHFFFAOYSA-N 1 1 413.905 4.220 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000446226606 870163032 /nfs/dbraw/zinc/16/30/32/870163032.db2.gz MTBWERNKMPXMTB-QAPCUYQASA-N 1 1 408.285 4.385 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000446226606 870163044 /nfs/dbraw/zinc/16/30/44/870163044.db2.gz MTBWERNKMPXMTB-QAPCUYQASA-N 1 1 408.285 4.385 20 5 HIBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000447313832 871206813 /nfs/dbraw/zinc/20/68/13/871206813.db2.gz CTUVFXZINALPOJ-NSHDSACASA-N 1 1 403.287 4.026 20 5 HIBDMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000447341677 871240618 /nfs/dbraw/zinc/24/06/18/871240618.db2.gz POXAQPNCVZKVPO-QHCPKHFHSA-N 1 1 405.429 4.002 20 5 HIBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC000447530086 871395949 /nfs/dbraw/zinc/39/59/49/871395949.db2.gz NFOFHZIOTGDXRT-NAQMCUANSA-N 1 1 409.534 4.060 20 5 HIBDMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448443930 872386854 /nfs/dbraw/zinc/38/68/54/872386854.db2.gz APCKJFQKXPPQRN-AVRDEDQJSA-N 1 1 420.513 4.427 20 5 HIBDMO CC[C@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000460497092 873183596 /nfs/dbraw/zinc/18/35/96/873183596.db2.gz RXJFIXLOTQFTNI-GIWBLDEGSA-N 1 1 422.529 4.209 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000462619825 875731525 /nfs/dbraw/zinc/73/15/25/875731525.db2.gz NZEZLNIFTSHMAD-DBXWQHBBSA-N 1 1 415.559 4.424 20 5 HIBDMO CC[N@H+](C[C@H](C)OC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427570 876482484 /nfs/dbraw/zinc/48/24/84/876482484.db2.gz GKFJXQVIZYUINO-IFXJQAMLSA-N 1 1 405.882 4.285 20 5 HIBDMO CC[N@@H+](C[C@H](C)OC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427570 876482488 /nfs/dbraw/zinc/48/24/88/876482488.db2.gz GKFJXQVIZYUINO-IFXJQAMLSA-N 1 1 405.882 4.285 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@](CO)(Cc4ccccc4)C3)o2)c1 ZINC000463448953 876507808 /nfs/dbraw/zinc/50/78/08/876507808.db2.gz INIWTKFXELLFLJ-DEOSSOPVSA-N 1 1 421.497 4.110 20 5 HIBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c([N+](=O)[O-])cc1F ZINC000464501452 877724451 /nfs/dbraw/zinc/72/44/51/877724451.db2.gz VQTOSGDPASLIOL-AWEZNQCLSA-N 1 1 424.432 4.241 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000464733596 877969573 /nfs/dbraw/zinc/96/95/73/877969573.db2.gz JWLSPUXNVSHIPC-IFXJQAMLSA-N 1 1 401.438 4.154 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464766733 878010097 /nfs/dbraw/zinc/01/00/97/878010097.db2.gz DOEQPKPTVONVCD-MRXNPFEDSA-N 1 1 415.515 4.046 20 5 HIBDMO COc1ccc(-c2nc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)co2)cc1 ZINC000464780570 878025079 /nfs/dbraw/zinc/02/50/79/878025079.db2.gz RCMZHESHKQWMSU-UHFFFAOYSA-N 1 1 409.442 4.302 20 5 HIBDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782626 878027546 /nfs/dbraw/zinc/02/75/46/878027546.db2.gz YUNZGWZKHFHCCX-ROUUACIJSA-N 1 1 411.502 4.012 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000465184278 878573922 /nfs/dbraw/zinc/57/39/22/878573922.db2.gz KFXZPHPBNQECQA-AWEZNQCLSA-N 1 1 403.866 4.221 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000465190089 878583969 /nfs/dbraw/zinc/58/39/69/878583969.db2.gz GSVLVMUTNYKBAU-HNNXBMFYSA-N 1 1 417.893 4.150 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503411834 912393875 /nfs/dbraw/zinc/39/38/75/912393875.db2.gz QWQYTFNJWAYPDQ-NVXWUHKLSA-N 1 1 422.489 4.118 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503411835 912395307 /nfs/dbraw/zinc/39/53/07/912395307.db2.gz QWQYTFNJWAYPDQ-RDJZCZTQSA-N 1 1 422.489 4.118 20 5 HIBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467265734 881003987 /nfs/dbraw/zinc/00/39/87/881003987.db2.gz JSUITOZVQMBYLG-UHFFFAOYSA-N 1 1 423.307 4.139 20 5 HIBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467265734 881004003 /nfs/dbraw/zinc/00/40/03/881004003.db2.gz JSUITOZVQMBYLG-UHFFFAOYSA-N 1 1 423.307 4.139 20 5 HIBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@H]1C ZINC000470155584 884428651 /nfs/dbraw/zinc/42/86/51/884428651.db2.gz ZOGUFBAYVIXXMV-SMDDNHRTSA-N 1 1 423.263 4.001 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000470209424 884525932 /nfs/dbraw/zinc/52/59/32/884525932.db2.gz INQKJGPVIRYAJF-XMHGGMMESA-N 1 1 402.498 4.496 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000470209424 884525957 /nfs/dbraw/zinc/52/59/57/884525957.db2.gz INQKJGPVIRYAJF-XMHGGMMESA-N 1 1 402.498 4.496 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4cccc(C(F)F)c4)CC3)nc2c1 ZINC000470776236 885244656 /nfs/dbraw/zinc/24/46/56/885244656.db2.gz GFMCVWDZBRYLPB-UHFFFAOYSA-N 1 1 401.417 4.121 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000471926461 886716311 /nfs/dbraw/zinc/71/63/11/886716311.db2.gz DGWHQYHCXJZXHT-LEWJYISDSA-N 1 1 410.474 4.011 20 5 HIBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503259 888229853 /nfs/dbraw/zinc/22/98/53/888229853.db2.gz MMSBTVUKNDZHGU-XMMPIXPASA-N 1 1 418.497 4.204 20 5 HIBDMO CC(C)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000473691597 888466379 /nfs/dbraw/zinc/46/63/79/888466379.db2.gz NNKDNDCHFLYGSI-INIZCTEOSA-N 1 1 401.532 4.422 20 5 HIBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1c1ccc(Cl)cc1Cl ZINC000474008258 888866348 /nfs/dbraw/zinc/86/63/48/888866348.db2.gz HZONIYFSZNBSJA-ZDUSSCGKSA-N 1 1 400.287 4.248 20 5 HIBDMO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C)c1 ZINC000474161222 888998984 /nfs/dbraw/zinc/99/89/84/888998984.db2.gz XJSXRSFJOSMEHA-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C)c1 ZINC000474161222 888999000 /nfs/dbraw/zinc/99/90/00/888999000.db2.gz XJSXRSFJOSMEHA-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000475328325 890247591 /nfs/dbraw/zinc/24/75/91/890247591.db2.gz IFEFINFABJQGJZ-SFHVURJKSA-N 1 1 409.280 4.354 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000475725869 890663645 /nfs/dbraw/zinc/66/36/45/890663645.db2.gz PPLBDWOFYVANDG-AWEZNQCLSA-N 1 1 421.519 4.228 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000475725869 890663649 /nfs/dbraw/zinc/66/36/49/890663649.db2.gz PPLBDWOFYVANDG-AWEZNQCLSA-N 1 1 421.519 4.228 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000477200215 892127361 /nfs/dbraw/zinc/12/73/61/892127361.db2.gz WPYSUDDKTFKQRZ-UHFFFAOYSA-N 1 1 405.857 4.044 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000477200215 892127374 /nfs/dbraw/zinc/12/73/74/892127374.db2.gz WPYSUDDKTFKQRZ-UHFFFAOYSA-N 1 1 405.857 4.044 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000477283211 892237560 /nfs/dbraw/zinc/23/75/60/892237560.db2.gz UJJADYSSKICVCO-UHFFFAOYSA-N 1 1 423.847 4.229 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000477378597 892340045 /nfs/dbraw/zinc/34/00/45/892340045.db2.gz OCPSNPWRWNTVGX-QGZVFWFLSA-N 1 1 401.894 4.151 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccnc3ccnn32)ccc1Oc1ccccc1Cl ZINC000478380794 893651868 /nfs/dbraw/zinc/65/18/68/893651868.db2.gz DHBBMWMPEFVCRS-UHFFFAOYSA-N 1 1 409.833 4.373 20 5 HIBDMO CC(C)c1nc(C2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)no1 ZINC000505281370 913940553 /nfs/dbraw/zinc/94/05/53/913940553.db2.gz NNORPBJZWKNZTD-ZDUSSCGKSA-N 1 1 412.450 4.092 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481176889 896512260 /nfs/dbraw/zinc/51/22/60/896512260.db2.gz OYFKIXRSDKKHIP-HTAPYJJXSA-N 1 1 406.486 4.250 20 5 HIBDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481209490 896562190 /nfs/dbraw/zinc/56/21/90/896562190.db2.gz ZBUJAXDWMKJBJY-XGHQBKJUSA-N 1 1 421.501 4.206 20 5 HIBDMO CC(C)C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCc2cccnc21 ZINC000481413424 896818379 /nfs/dbraw/zinc/81/83/79/896818379.db2.gz KSDVVBIKLUALKQ-LJQANCHMSA-N 1 1 424.501 4.323 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000481658753 897043033 /nfs/dbraw/zinc/04/30/33/897043033.db2.gz MPGMXWYWKQOKNZ-INIZCTEOSA-N 1 1 413.543 4.479 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481756000 897146057 /nfs/dbraw/zinc/14/60/57/897146057.db2.gz MDJXVHNBIMRRRE-UHFFFAOYSA-N 1 1 415.877 4.375 20 5 HIBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481850221 897217252 /nfs/dbraw/zinc/21/72/52/897217252.db2.gz VEJVJNSRMUENRA-YLJYHZDGSA-N 1 1 413.905 4.375 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000481968837 897359266 /nfs/dbraw/zinc/35/92/66/897359266.db2.gz VVMMHNFHTMUULF-UHFFFAOYSA-N 1 1 405.296 4.137 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000481983366 897377198 /nfs/dbraw/zinc/37/71/98/897377198.db2.gz KTUJQHXOSGIZJS-ICSRJNTNSA-N 1 1 408.502 4.076 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000482508951 898091963 /nfs/dbraw/zinc/09/19/63/898091963.db2.gz UBFYOQNDMVHKRA-UHFFFAOYSA-N 1 1 410.426 4.039 20 5 HIBDMO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709889 898309953 /nfs/dbraw/zinc/30/99/53/898309953.db2.gz UOFSKMJVGTZUHO-SJORKVTESA-N 1 1 403.548 4.067 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000482826603 898435084 /nfs/dbraw/zinc/43/50/84/898435084.db2.gz PIBNXZBOFCSMIL-OFNKIYASSA-N 1 1 423.513 4.236 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482925730 898544838 /nfs/dbraw/zinc/54/48/38/898544838.db2.gz HHPQZOIXGAGKFR-SFHVURJKSA-N 1 1 411.502 4.024 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482925730 898544856 /nfs/dbraw/zinc/54/48/56/898544856.db2.gz HHPQZOIXGAGKFR-SFHVURJKSA-N 1 1 411.502 4.024 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)[NH+]1CCOCC1 ZINC000482927367 898548729 /nfs/dbraw/zinc/54/87/29/898548729.db2.gz BBTGMXMEHIBHGB-KRWDZBQOSA-N 1 1 424.501 4.185 20 5 HIBDMO Cc1cccc(CC2(O)CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000482939190 898561860 /nfs/dbraw/zinc/56/18/60/898561860.db2.gz XJLVXIVFHLZNGU-KRWDZBQOSA-N 1 1 422.485 4.084 20 5 HIBDMO Cc1ccc(Sc2ccc(C[N@@H+]3CC[C@H](N4CCCC4=O)C3)cc2[N+](=O)[O-])cc1 ZINC000483435465 899067970 /nfs/dbraw/zinc/06/79/70/899067970.db2.gz BLTSCQJACBYYDA-SFHVURJKSA-N 1 1 411.527 4.251 20 5 HIBDMO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@H](N4CCCC4=O)C3)cc2[N+](=O)[O-])cc1 ZINC000483435465 899067989 /nfs/dbraw/zinc/06/79/89/899067989.db2.gz BLTSCQJACBYYDA-SFHVURJKSA-N 1 1 411.527 4.251 20 5 HIBDMO CCn1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)nc2cc(Br)ccc21 ZINC000483488679 899141741 /nfs/dbraw/zinc/14/17/41/899141741.db2.gz IJRCDEOYJMKHAI-UHFFFAOYSA-N 1 1 403.280 4.325 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483586351 899236875 /nfs/dbraw/zinc/23/68/75/899236875.db2.gz WDQVXCCALVLSQG-DYESRHJHSA-N 1 1 413.905 4.375 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000483682937 899342079 /nfs/dbraw/zinc/34/20/79/899342079.db2.gz MSOPGEPRCQCNDW-QHCPKHFHSA-N 1 1 422.529 4.179 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484945794 900314487 /nfs/dbraw/zinc/31/44/87/900314487.db2.gz CXJFIJCVKAMHQO-QZTJIDSGSA-N 1 1 413.905 4.151 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc(F)cc2Br)cccc1[N+](=O)[O-] ZINC000485018076 900365865 /nfs/dbraw/zinc/36/58/65/900365865.db2.gz CGYWDQZRKNGQJQ-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc(F)cc2Br)cccc1[N+](=O)[O-] ZINC000485018076 900365875 /nfs/dbraw/zinc/36/58/75/900365875.db2.gz CGYWDQZRKNGQJQ-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485716790 900965854 /nfs/dbraw/zinc/96/58/54/900965854.db2.gz FEPLUGAPCGFCIK-FQEVSTJZSA-N 1 1 423.513 4.168 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000485720519 900970464 /nfs/dbraw/zinc/97/04/64/900970464.db2.gz OEYAPOAQDQAADR-QFIPXVFZSA-N 1 1 404.470 4.058 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000485720519 900970469 /nfs/dbraw/zinc/97/04/69/900970469.db2.gz OEYAPOAQDQAADR-QFIPXVFZSA-N 1 1 404.470 4.058 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccc(Br)cc3n2C)cc1[N+](=O)[O-] ZINC000485846865 901090946 /nfs/dbraw/zinc/09/09/46/901090946.db2.gz TVYWMCOLZMVTAH-LBPRGKRZSA-N 1 1 403.280 4.403 20 5 HIBDMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978122 901194930 /nfs/dbraw/zinc/19/49/30/901194930.db2.gz VOCDUOFXMULUFX-SJKOYZFVSA-N 1 1 407.392 4.296 20 5 HIBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000505924350 914573118 /nfs/dbraw/zinc/57/31/18/914573118.db2.gz FSIPWAIQSVEINB-YESZJQIVSA-N 1 1 423.941 4.129 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000486913822 901960567 /nfs/dbraw/zinc/96/05/67/901960567.db2.gz WWKXNRFLECWMIR-RTBURBONSA-N 1 1 404.417 4.219 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000486913822 901960576 /nfs/dbraw/zinc/96/05/76/901960576.db2.gz WWKXNRFLECWMIR-RTBURBONSA-N 1 1 404.417 4.219 20 5 HIBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000505953193 914607043 /nfs/dbraw/zinc/60/70/43/914607043.db2.gz LSSIETGBEYMOBZ-UHFFFAOYSA-N 1 1 402.520 4.325 20 5 HIBDMO COc1ccc(C[N@H+]2CCSC[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000488398103 902807314 /nfs/dbraw/zinc/80/73/14/902807314.db2.gz PDEGRGNDWMKSOI-MRXNPFEDSA-N 1 1 402.516 4.367 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000488498710 902856021 /nfs/dbraw/zinc/85/60/21/902856021.db2.gz MRVIBIAYNXYYGY-LLGFUMIMSA-N 1 1 413.543 4.102 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000489530488 903441790 /nfs/dbraw/zinc/44/17/90/903441790.db2.gz DNVFGPYHDLVNFN-HKUYNNGSSA-N 1 1 410.518 4.182 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)c2C1 ZINC000489647528 903513186 /nfs/dbraw/zinc/51/31/86/903513186.db2.gz KFLUKWXEASLZNV-UHFFFAOYSA-N 1 1 405.401 4.420 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000489982114 903710841 /nfs/dbraw/zinc/71/08/41/903710841.db2.gz NCBVUXUIHNFARL-GOSISDBHSA-N 1 1 413.543 4.301 20 5 HIBDMO CO[C@H](C)c1nc(CN2CCC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013313 903724337 /nfs/dbraw/zinc/72/43/37/903724337.db2.gz LTKBDVDEQJISOQ-DLBZAZTESA-N 1 1 418.563 4.336 20 5 HIBDMO Cc1c(NC(=O)CC[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000490085827 903765534 /nfs/dbraw/zinc/76/55/34/903765534.db2.gz HTMYLZGRBWCYSE-SNVBAGLBSA-N 1 1 402.398 4.058 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490289782 903879170 /nfs/dbraw/zinc/87/91/70/903879170.db2.gz QXJJEBJSZBKJQE-IRLDBZIGSA-N 1 1 417.456 4.146 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490289782 903879175 /nfs/dbraw/zinc/87/91/75/903879175.db2.gz QXJJEBJSZBKJQE-IRLDBZIGSA-N 1 1 417.456 4.146 20 5 HIBDMO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490788236 904234269 /nfs/dbraw/zinc/23/42/69/904234269.db2.gz BANFROMMZOIWPK-GDBMZVCRSA-N 1 1 421.419 4.254 20 5 HIBDMO C[C@@H](OC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830265 904274097 /nfs/dbraw/zinc/27/40/97/904274097.db2.gz WNSNEIVCVFASNW-QVKFZJNVSA-N 1 1 404.894 4.351 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491227735 904490309 /nfs/dbraw/zinc/49/03/09/904490309.db2.gz HYMOSBNABHNGSA-AWEZNQCLSA-N 1 1 410.392 4.376 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960267 904968076 /nfs/dbraw/zinc/96/80/76/904968076.db2.gz LUYQVWKJJAEBDR-OALUTQOASA-N 1 1 410.518 4.270 20 5 HIBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)c2ccccc2)c1 ZINC000493083650 905014594 /nfs/dbraw/zinc/01/45/94/905014594.db2.gz XNKGPULIAFFRIZ-DEOSSOPVSA-N 1 1 421.472 4.450 20 5 HIBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@H]2C1 ZINC000493560479 905162787 /nfs/dbraw/zinc/16/27/87/905162787.db2.gz XCTFUEFPRNWACT-LIRRHRJNSA-N 1 1 415.877 4.207 20 5 HIBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000493875563 905238099 /nfs/dbraw/zinc/23/80/99/905238099.db2.gz QOTKPIRGWDEEFO-HNNXBMFYSA-N 1 1 419.407 4.078 20 5 HIBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@H]21 ZINC000493928083 905280278 /nfs/dbraw/zinc/28/02/78/905280278.db2.gz QNDZPCQNWGMQTN-OXJNMPFZSA-N 1 1 411.527 4.302 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494170050 905506405 /nfs/dbraw/zinc/50/64/05/905506405.db2.gz ITPWXENDTXREPT-MJGOQNOKSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494170050 905506417 /nfs/dbraw/zinc/50/64/17/905506417.db2.gz ITPWXENDTXREPT-MJGOQNOKSA-N 1 1 423.847 4.480 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)[NH+]1CCOCC1 ZINC000494186360 905520682 /nfs/dbraw/zinc/52/06/82/905520682.db2.gz RORNHQBGTAAFEH-KRWDZBQOSA-N 1 1 424.501 4.185 20 5 HIBDMO C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000494448238 905733163 /nfs/dbraw/zinc/73/31/63/905733163.db2.gz FCQJJNKZLDIPPH-CQSZACIVSA-N 1 1 411.424 4.405 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000494489041 905772827 /nfs/dbraw/zinc/77/28/27/905772827.db2.gz CCPZWCHKZGDTKD-AEFFLSMTSA-N 1 1 418.812 4.057 20 5 HIBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512522685 921213309 /nfs/dbraw/zinc/21/33/09/921213309.db2.gz XUYQJPXSQUSFEB-WBVHZDCISA-N 1 1 416.547 4.235 20 5 HIBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512522685 921213316 /nfs/dbraw/zinc/21/33/16/921213316.db2.gz XUYQJPXSQUSFEB-WBVHZDCISA-N 1 1 416.547 4.235 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000495391250 906422907 /nfs/dbraw/zinc/42/29/07/906422907.db2.gz NBCXUOKROQPCDZ-CYBMUJFWSA-N 1 1 411.380 4.261 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000495391250 906422925 /nfs/dbraw/zinc/42/29/25/906422925.db2.gz NBCXUOKROQPCDZ-CYBMUJFWSA-N 1 1 411.380 4.261 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)CSc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000512570921 921243263 /nfs/dbraw/zinc/24/32/63/921243263.db2.gz XDORDNOUNANDOU-IEBWSBKVSA-N 1 1 413.543 4.104 20 5 HIBDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000512604151 921257280 /nfs/dbraw/zinc/25/72/80/921257280.db2.gz FOECOJPBZSGHRN-HNNXBMFYSA-N 1 1 416.547 4.091 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497093076 906803736 /nfs/dbraw/zinc/80/37/36/906803736.db2.gz ALUUMPVMWKUAQE-CTNGQTDRSA-N 1 1 414.502 4.165 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498336688 907845962 /nfs/dbraw/zinc/84/59/62/907845962.db2.gz XKPKLABANVULSM-LJQANCHMSA-N 1 1 418.497 4.127 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000498472577 907941507 /nfs/dbraw/zinc/94/15/07/907941507.db2.gz LCWRKPIWTNRSGS-IRXDYDNUSA-N 1 1 422.957 4.087 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000498472574 907941962 /nfs/dbraw/zinc/94/19/62/907941962.db2.gz LCWRKPIWTNRSGS-IAGOWNOFSA-N 1 1 422.957 4.087 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000498559363 908019311 /nfs/dbraw/zinc/01/93/11/908019311.db2.gz IIMQDAQTGNBJAN-PZJWPPBQSA-N 1 1 410.474 4.011 20 5 HIBDMO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706351 908130899 /nfs/dbraw/zinc/13/08/99/908130899.db2.gz FYDMYFSQXNWOMZ-RXVVDRJESA-N 1 1 422.529 4.179 20 5 HIBDMO C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498718734 908143362 /nfs/dbraw/zinc/14/33/62/908143362.db2.gz TXMAFJRBSJGGKI-UYAOXDASSA-N 1 1 422.529 4.179 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501013231 910233222 /nfs/dbraw/zinc/23/32/22/910233222.db2.gz YMCLUYUMMBAMJA-AWEZNQCLSA-N 1 1 412.421 4.083 20 5 HIBDMO CCOc1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)ccc1[N+](=O)[O-] ZINC000501559421 910666228 /nfs/dbraw/zinc/66/62/28/910666228.db2.gz FGUBPYRIKMHWIY-OAHLLOKOSA-N 1 1 407.264 4.369 20 5 HIBDMO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000501607167 910711399 /nfs/dbraw/zinc/71/13/99/910711399.db2.gz ZNZPXDLNMVLIQB-FQEVSTJZSA-N 1 1 421.419 4.398 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC=Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000501717317 910785726 /nfs/dbraw/zinc/78/57/26/910785726.db2.gz UHFFTQNFYMZLFZ-CEQQRPIWSA-N 1 1 423.517 4.339 20 5 HIBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329054 911306574 /nfs/dbraw/zinc/30/65/74/911306574.db2.gz DBFGPZHRAHTOBE-QAPCUYQASA-N 1 1 411.506 4.387 20 5 HIBDMO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502939345 911925204 /nfs/dbraw/zinc/92/52/04/911925204.db2.gz LSIJNYVHNXJULV-MRXNPFEDSA-N 1 1 423.473 4.274 20 5 HIBDMO CCOC[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000506487574 915094640 /nfs/dbraw/zinc/09/46/40/915094640.db2.gz PCRFZULGSQOASF-GCJKJVERSA-N 1 1 411.502 4.332 20 5 HIBDMO CCOC[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000506487574 915094660 /nfs/dbraw/zinc/09/46/60/915094660.db2.gz PCRFZULGSQOASF-GCJKJVERSA-N 1 1 411.502 4.332 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513392795 921763396 /nfs/dbraw/zinc/76/33/96/921763396.db2.gz XXFLZLIMHXDVHU-OAHLLOKOSA-N 1 1 411.437 4.057 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513392795 921763414 /nfs/dbraw/zinc/76/34/14/921763414.db2.gz XXFLZLIMHXDVHU-OAHLLOKOSA-N 1 1 411.437 4.057 20 5 HIBDMO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000506833821 915608663 /nfs/dbraw/zinc/60/86/63/915608663.db2.gz IYBXGUSLMXSVSN-UHFFFAOYSA-N 1 1 424.270 4.346 20 5 HIBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000506833821 915608679 /nfs/dbraw/zinc/60/86/79/915608679.db2.gz IYBXGUSLMXSVSN-UHFFFAOYSA-N 1 1 424.270 4.346 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513434851 921804082 /nfs/dbraw/zinc/80/40/82/921804082.db2.gz NHRUUXOIHJVUNK-LJQANCHMSA-N 1 1 406.442 4.061 20 5 HIBDMO COc1ccc(OC)c(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C)c1 ZINC000507251716 916013057 /nfs/dbraw/zinc/01/30/57/916013057.db2.gz JLIVZBXJHMEYAT-UHFFFAOYSA-N 1 1 416.474 4.279 20 5 HIBDMO COc1ccc(OC)c(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C)c1 ZINC000507251716 916013072 /nfs/dbraw/zinc/01/30/72/916013072.db2.gz JLIVZBXJHMEYAT-UHFFFAOYSA-N 1 1 416.474 4.279 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507635956 916395040 /nfs/dbraw/zinc/39/50/40/916395040.db2.gz MRYNPHKLELUWCU-UHFFFAOYSA-N 1 1 421.501 4.187 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000507994906 916836388 /nfs/dbraw/zinc/83/63/88/916836388.db2.gz LXQNWBIVSNTEAR-MRXNPFEDSA-N 1 1 400.454 4.076 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000507994906 916836399 /nfs/dbraw/zinc/83/63/99/916836399.db2.gz LXQNWBIVSNTEAR-MRXNPFEDSA-N 1 1 400.454 4.076 20 5 HIBDMO COc1cc(CNCC[N@@H+]2CCC[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508099005 916914834 /nfs/dbraw/zinc/91/48/34/916914834.db2.gz CUOVJCKQPFHHPW-GOSISDBHSA-N 1 1 413.518 4.004 20 5 HIBDMO COc1cc(CNCC[N@H+]2CCC[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508099005 916914841 /nfs/dbraw/zinc/91/48/41/916914841.db2.gz CUOVJCKQPFHHPW-GOSISDBHSA-N 1 1 413.518 4.004 20 5 HIBDMO COc1ccc(CNCC[N@@H+]2CCC[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508105521 916920973 /nfs/dbraw/zinc/92/09/73/916920973.db2.gz URGLWYZJSBPGDD-SFHVURJKSA-N 1 1 413.518 4.004 20 5 HIBDMO COc1ccc(CNCC[N@H+]2CCC[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508105521 916920991 /nfs/dbraw/zinc/92/09/91/916920991.db2.gz URGLWYZJSBPGDD-SFHVURJKSA-N 1 1 413.518 4.004 20 5 HIBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000508648622 917413948 /nfs/dbraw/zinc/41/39/48/917413948.db2.gz DUHSOYDRRWTGNS-UKRRQHHQSA-N 1 1 403.866 4.126 20 5 HIBDMO CCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000509384424 918051067 /nfs/dbraw/zinc/05/10/67/918051067.db2.gz FGAGXMVCKRIBKI-UHFFFAOYSA-N 1 1 417.456 4.390 20 5 HIBDMO CCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000509384424 918051078 /nfs/dbraw/zinc/05/10/78/918051078.db2.gz FGAGXMVCKRIBKI-UHFFFAOYSA-N 1 1 417.456 4.390 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000509558118 918209595 /nfs/dbraw/zinc/20/95/95/918209595.db2.gz PXWISVPBYBIVBH-OAHLLOKOSA-N 1 1 420.469 4.201 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000509558118 918209610 /nfs/dbraw/zinc/20/96/10/918209610.db2.gz PXWISVPBYBIVBH-OAHLLOKOSA-N 1 1 420.469 4.201 20 5 HIBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OCC ZINC000509622068 918270012 /nfs/dbraw/zinc/27/00/12/918270012.db2.gz VVYKRFPVCLSXOH-CQSZACIVSA-N 1 1 402.447 4.110 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000509763169 918377184 /nfs/dbraw/zinc/37/71/84/918377184.db2.gz QISNAHJCHUEFRH-WIYYLYMNSA-N 1 1 410.518 4.350 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000510099611 918663412 /nfs/dbraw/zinc/66/34/12/918663412.db2.gz PFADXKOOIOZQLZ-FUHWJXTLSA-N 1 1 413.543 4.347 20 5 HIBDMO CCN1CC[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000510635398 919076627 /nfs/dbraw/zinc/07/66/27/919076627.db2.gz ZBPAQPXWCMJTAP-IEBWSBKVSA-N 1 1 415.362 4.215 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000511106660 919714060 /nfs/dbraw/zinc/71/40/60/919714060.db2.gz MJVICINGJMBQNW-VWLOTQADSA-N 1 1 401.315 4.184 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000511106660 919714073 /nfs/dbraw/zinc/71/40/73/919714073.db2.gz MJVICINGJMBQNW-VWLOTQADSA-N 1 1 401.315 4.184 20 5 HIBDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000511630295 920291318 /nfs/dbraw/zinc/29/13/18/920291318.db2.gz YGUYVHJKDYIENV-UHFFFAOYSA-N 1 1 403.482 4.199 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)co2)cc1 ZINC000511781440 920472379 /nfs/dbraw/zinc/47/23/79/920472379.db2.gz NTKJFRUTKVJWSH-VSKRKVRLSA-N 1 1 405.454 4.254 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511894137 920629665 /nfs/dbraw/zinc/62/96/65/920629665.db2.gz QUASWZSVDADPNN-AQNXPRMDSA-N 1 1 407.470 4.161 20 5 HIBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000511903529 920642064 /nfs/dbraw/zinc/64/20/64/920642064.db2.gz QVZRBAUIOOMBMO-OAQYLSRUSA-N 1 1 410.518 4.003 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511941681 920695614 /nfs/dbraw/zinc/69/56/14/920695614.db2.gz JVQBVNTYIKARHL-UHFFFAOYSA-N 1 1 406.364 4.098 20 5 HIBDMO CC(C)c1ccc(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000512271379 921027983 /nfs/dbraw/zinc/02/79/83/921027983.db2.gz STNIZBPGVKKSCB-UHFFFAOYSA-N 1 1 420.531 4.023 20 5 HIBDMO CC(C)c1ccc(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000512271379 921027993 /nfs/dbraw/zinc/02/79/93/921027993.db2.gz STNIZBPGVKKSCB-UHFFFAOYSA-N 1 1 420.531 4.023 20 5 HIBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000512337880 921083932 /nfs/dbraw/zinc/08/39/32/921083932.db2.gz JTRQBXNGKQEJSU-CQSZACIVSA-N 1 1 408.401 4.203 20 5 HIBDMO CSc1cccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000516883683 923923813 /nfs/dbraw/zinc/92/38/13/923923813.db2.gz GPGCLUZKMSFWSI-QFIPXVFZSA-N 1 1 411.527 4.055 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000517454719 924200852 /nfs/dbraw/zinc/20/08/52/924200852.db2.gz GKDRENDVJYKMEB-AWEZNQCLSA-N 1 1 419.934 4.471 20 5 HIBDMO CC[N@@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000519753839 928065996 /nfs/dbraw/zinc/06/59/96/928065996.db2.gz JLHSEEJOVPROIX-CZUORRHYSA-N 1 1 423.420 4.264 20 5 HIBDMO CC[N@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000519753839 928066022 /nfs/dbraw/zinc/06/60/22/928066022.db2.gz JLHSEEJOVPROIX-CZUORRHYSA-N 1 1 423.420 4.264 20 5 HIBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000520110102 928317528 /nfs/dbraw/zinc/31/75/28/928317528.db2.gz LUFVELPJSCADLB-GOSISDBHSA-N 1 1 424.545 4.213 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cc2[N+](=O)[O-])cc1 ZINC000521294978 929108026 /nfs/dbraw/zinc/10/80/26/929108026.db2.gz OTQCXPZVJUHPBR-MRXNPFEDSA-N 1 1 411.527 4.269 20 5 HIBDMO COc1ccc(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)cc1[N+](=O)[O-] ZINC000521377249 929194280 /nfs/dbraw/zinc/19/42/80/929194280.db2.gz BKYQCLJOXZCIRP-UHFFFAOYSA-N 1 1 417.263 4.046 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)O1 ZINC000524603380 929712331 /nfs/dbraw/zinc/71/23/31/929712331.db2.gz JTFKOWUBFFPHMB-CALCHBBNSA-N 1 1 411.502 4.120 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)O1 ZINC000524603380 929712339 /nfs/dbraw/zinc/71/23/39/929712339.db2.gz JTFKOWUBFFPHMB-CALCHBBNSA-N 1 1 411.502 4.120 20 5 HIBDMO CCc1cnc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 ZINC000524759409 929820593 /nfs/dbraw/zinc/82/05/93/929820593.db2.gz JQYATTZDTIEKFK-UHFFFAOYSA-N 1 1 412.515 4.192 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000524865288 929863875 /nfs/dbraw/zinc/86/38/75/929863875.db2.gz OEEGZMATYUWPRL-ROUUACIJSA-N 1 1 413.543 4.198 20 5 HIBDMO COc1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000525273825 930124247 /nfs/dbraw/zinc/12/42/47/930124247.db2.gz XSQATBWQJBSWJJ-OAHLLOKOSA-N 1 1 400.422 4.128 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354440 930192523 /nfs/dbraw/zinc/19/25/23/930192523.db2.gz JJUQNHCPMRFSNI-GHTZIAJQSA-N 1 1 410.518 4.052 20 5 HIBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000525358285 930194543 /nfs/dbraw/zinc/19/45/43/930194543.db2.gz JRNFIYQYSZMYFQ-FXAWDEMLSA-N 1 1 410.518 4.465 20 5 HIBDMO O=C1[C@@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000530716903 930806578 /nfs/dbraw/zinc/80/65/78/930806578.db2.gz NRMNMFQPLAXZTK-ICSRJNTNSA-N 1 1 411.458 4.280 20 5 HIBDMO Cc1cc(C[C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000532627422 931560391 /nfs/dbraw/zinc/56/03/91/931560391.db2.gz PYMKNLLOHBLISL-MRXNPFEDSA-N 1 1 416.485 4.200 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000532691835 931588075 /nfs/dbraw/zinc/58/80/75/931588075.db2.gz YNSCOSHUCZDGTK-HNNXBMFYSA-N 1 1 412.421 4.172 20 5 HIBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000532693981 931589490 /nfs/dbraw/zinc/58/94/90/931589490.db2.gz DVZAHYVLUJGIGN-JKSUJKDBSA-N 1 1 400.454 4.329 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](Cc2ccccc2)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000532966056 931716947 /nfs/dbraw/zinc/71/69/47/931716947.db2.gz WNCMFSFUZKVHPJ-UHFFFAOYSA-N 1 1 411.502 4.161 20 5 HIBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000533024890 931742720 /nfs/dbraw/zinc/74/27/20/931742720.db2.gz IZVVVTLWWFLHOD-INIZCTEOSA-N 1 1 415.490 4.236 20 5 HIBDMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000533055825 931756499 /nfs/dbraw/zinc/75/64/99/931756499.db2.gz WQSUWRPQBSENAD-JOCHJYFZSA-N 1 1 409.417 4.060 20 5 HIBDMO C[C@H]1SCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000533289318 931829241 /nfs/dbraw/zinc/82/92/41/931829241.db2.gz DOSPYXKUASYOFN-QRWLVFNGSA-N 1 1 413.499 4.071 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000533303489 931833879 /nfs/dbraw/zinc/83/38/79/931833879.db2.gz ZCAGUWAFRNRENG-OAHLLOKOSA-N 1 1 403.866 4.075 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000533347543 931844359 /nfs/dbraw/zinc/84/43/59/931844359.db2.gz MXTQZVIDMLROLZ-FPOVZHCZSA-N 1 1 424.545 4.217 20 5 HIBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000533438369 931869519 /nfs/dbraw/zinc/86/95/19/931869519.db2.gz DXRRXAJLZPUDBZ-QVKFZJNVSA-N 1 1 411.433 4.393 20 5 HIBDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000534121267 932287943 /nfs/dbraw/zinc/28/79/43/932287943.db2.gz HIGVPJCWXAHDSO-QGZVFWFLSA-N 1 1 422.485 4.137 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000534123591 932289728 /nfs/dbraw/zinc/28/97/28/932289728.db2.gz JFLKASVSWNBIMB-OALUTQOASA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000534123591 932289738 /nfs/dbraw/zinc/28/97/38/932289738.db2.gz JFLKASVSWNBIMB-OALUTQOASA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534221256 932340476 /nfs/dbraw/zinc/34/04/76/932340476.db2.gz UCMLRQACNQMTFR-UHFFFAOYSA-N 1 1 406.486 4.060 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000534602811 932588555 /nfs/dbraw/zinc/58/85/55/932588555.db2.gz UWERSAQCPHLRPG-UHFFFAOYSA-N 1 1 408.424 4.418 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000534632067 932610693 /nfs/dbraw/zinc/61/06/93/932610693.db2.gz KSGCYTOYWMRRIA-KRWDZBQOSA-N 1 1 420.513 4.167 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000535071454 932897347 /nfs/dbraw/zinc/89/73/47/932897347.db2.gz WYPNRFLBELJGLE-UHFFFAOYSA-N 1 1 409.486 4.050 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000535071454 932897349 /nfs/dbraw/zinc/89/73/49/932897349.db2.gz WYPNRFLBELJGLE-UHFFFAOYSA-N 1 1 409.486 4.050 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000535115201 932932653 /nfs/dbraw/zinc/93/26/53/932932653.db2.gz DLRLIBPPFGGOLF-REWPJTCUSA-N 1 1 423.513 4.332 20 5 HIBDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-n2ccnn2)cc1 ZINC000535185925 933001524 /nfs/dbraw/zinc/00/15/24/933001524.db2.gz PELBKUNHKMPBAZ-AWEZNQCLSA-N 1 1 406.471 4.150 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535800197 933395868 /nfs/dbraw/zinc/39/58/68/933395868.db2.gz VHCKWCQPXGZDKE-PZJWPPBQSA-N 1 1 412.486 4.183 20 5 HIBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)cn1 ZINC000537626238 938338474 /nfs/dbraw/zinc/33/84/74/938338474.db2.gz KVNAOONJXQRMKS-AWEZNQCLSA-N 1 1 400.866 4.306 20 5 HIBDMO Cc1ccc([C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000537731235 938365113 /nfs/dbraw/zinc/36/51/13/938365113.db2.gz WOBXRQYPOQYEMD-LJQANCHMSA-N 1 1 420.469 4.125 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000538241883 938571610 /nfs/dbraw/zinc/57/16/10/938571610.db2.gz CHCGSJCKZHJKTQ-QHCPKHFHSA-N 1 1 419.481 4.389 20 5 HIBDMO CCn1cc(C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 ZINC000538726710 938693412 /nfs/dbraw/zinc/69/34/12/938693412.db2.gz PMYJSYIPDYPRTQ-UHFFFAOYSA-N 1 1 419.279 4.466 20 5 HIBDMO CCn1cc(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 ZINC000538726710 938693416 /nfs/dbraw/zinc/69/34/16/938693416.db2.gz PMYJSYIPDYPRTQ-UHFFFAOYSA-N 1 1 419.279 4.466 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](CCCCO)C2CC2)cc1 ZINC000538731561 938695130 /nfs/dbraw/zinc/69/51/30/938695130.db2.gz VEIUIVPFAIZWMO-UHFFFAOYSA-N 1 1 406.486 4.184 20 5 HIBDMO COc1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538750461 938701360 /nfs/dbraw/zinc/70/13/60/938701360.db2.gz CPDMCVHPNSEJQM-GUYCJALGSA-N 1 1 420.453 4.405 20 5 HIBDMO COc1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538750461 938701365 /nfs/dbraw/zinc/70/13/65/938701365.db2.gz CPDMCVHPNSEJQM-GUYCJALGSA-N 1 1 420.453 4.405 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000538788103 938711601 /nfs/dbraw/zinc/71/16/01/938711601.db2.gz KFOSZFTUPWTTNM-ZIAGYGMSSA-N 1 1 401.438 4.079 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1F ZINC000563482373 945199263 /nfs/dbraw/zinc/19/92/63/945199263.db2.gz KNKVJWCANSKDDW-UHFFFAOYSA-N 1 1 422.338 4.177 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000538917426 938737576 /nfs/dbraw/zinc/73/75/76/938737576.db2.gz XTPBJVGYXJARIL-UHFFFAOYSA-N 1 1 405.564 4.291 20 5 HIBDMO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538957202 938749224 /nfs/dbraw/zinc/74/92/24/938749224.db2.gz RDGBQWUKZDETCE-INIZCTEOSA-N 1 1 421.501 4.171 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000539840150 938954241 /nfs/dbraw/zinc/95/42/41/938954241.db2.gz GTZYEUURWMRGGJ-QGZVFWFLSA-N 1 1 401.532 4.224 20 5 HIBDMO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540159654 939095641 /nfs/dbraw/zinc/09/56/41/939095641.db2.gz BXCKUPWHEGLPDT-BEVDRBHNSA-N 1 1 415.559 4.352 20 5 HIBDMO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540159654 939095642 /nfs/dbraw/zinc/09/56/42/939095642.db2.gz BXCKUPWHEGLPDT-BEVDRBHNSA-N 1 1 415.559 4.352 20 5 HIBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OCc2cccnc2)cc1 ZINC000540325651 939195231 /nfs/dbraw/zinc/19/52/31/939195231.db2.gz RSXVIGUKCZMFIQ-INIZCTEOSA-N 1 1 421.453 4.286 20 5 HIBDMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000540347832 939202073 /nfs/dbraw/zinc/20/20/73/939202073.db2.gz YIRKFVXPGGOMOQ-ZWKOTPCHSA-N 1 1 410.518 4.387 20 5 HIBDMO C[N@@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1)C1CC1 ZINC000540431571 939246194 /nfs/dbraw/zinc/24/61/94/939246194.db2.gz JKWNFPBSTKRPKF-UHFFFAOYSA-N 1 1 418.291 4.246 20 5 HIBDMO COCC(=O)Nc1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000540915062 939416882 /nfs/dbraw/zinc/41/68/82/939416882.db2.gz APBCSSKKXDJLPX-HSZRJFAPSA-N 1 1 405.454 4.059 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000541059765 939445899 /nfs/dbraw/zinc/44/58/99/939445899.db2.gz PMGITGJGGSLLJW-SCTDSRPQSA-N 1 1 407.555 4.190 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000541282188 939489129 /nfs/dbraw/zinc/48/91/29/939489129.db2.gz MDAGVQULNMBFKL-VBKZILBWSA-N 1 1 416.524 4.105 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000541282188 939489130 /nfs/dbraw/zinc/48/91/30/939489130.db2.gz MDAGVQULNMBFKL-VBKZILBWSA-N 1 1 416.524 4.105 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@H+]1C ZINC000541584228 939560361 /nfs/dbraw/zinc/56/03/61/939560361.db2.gz ZWLREAZPRWPOMS-DOTOQJQBSA-N 1 1 405.564 4.432 20 5 HIBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000541629772 939576213 /nfs/dbraw/zinc/57/62/13/939576213.db2.gz YUWZIBFNKDAIIS-NJSLBKSFSA-N 1 1 405.495 4.098 20 5 HIBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541679639 939599028 /nfs/dbraw/zinc/59/90/28/939599028.db2.gz VMLGFNACVOYYNN-RBUKOAKNSA-N 1 1 403.548 4.234 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000541718731 939613862 /nfs/dbraw/zinc/61/38/62/939613862.db2.gz NZMNEFDFJAUPLD-AVRDEDQJSA-N 1 1 423.513 4.474 20 5 HIBDMO COc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542031627 939693231 /nfs/dbraw/zinc/69/32/31/939693231.db2.gz FHFYQBSKEBIKAE-QUCCMNQESA-N 1 1 424.501 4.122 20 5 HIBDMO COc1ccc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1[N+](=O)[O-] ZINC000542035787 939694565 /nfs/dbraw/zinc/69/45/65/939694565.db2.gz SDCLVNSQXWIBKR-UHFFFAOYSA-N 1 1 424.501 4.123 20 5 HIBDMO C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000542529846 939838157 /nfs/dbraw/zinc/83/81/57/939838157.db2.gz VGMGPIFBJDTBHM-SVQXRNPESA-N 1 1 413.493 4.110 20 5 HIBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542618354 939849280 /nfs/dbraw/zinc/84/92/80/939849280.db2.gz FYRNYYATZXJSKF-MRXNPFEDSA-N 1 1 403.548 4.091 20 5 HIBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542661215 939852303 /nfs/dbraw/zinc/85/23/03/939852303.db2.gz PRVLNDVZVLPDGY-KRWDZBQOSA-N 1 1 405.564 4.291 20 5 HIBDMO CCc1ccc([C@H]([NH2+]CCNC(=O)c2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543425138 940060766 /nfs/dbraw/zinc/06/07/66/940060766.db2.gz NXQRCSNTNCPYRC-JOCHJYFZSA-N 1 1 407.470 4.168 20 5 HIBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCSc1ccnc3cc(Cl)ccc31)CC2 ZINC000543479295 940078119 /nfs/dbraw/zinc/07/81/19/940078119.db2.gz YNMWDRPTHPYOQE-UHFFFAOYSA-N 1 1 400.891 4.342 20 5 HIBDMO C[N@@H+](CCc1cccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000543797627 940190212 /nfs/dbraw/zinc/19/02/12/940190212.db2.gz PBVCHUIOUCAIBL-UHFFFAOYSA-N 1 1 405.401 4.085 20 5 HIBDMO O=[N+]([O-])c1cc(Br)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000563842579 945312422 /nfs/dbraw/zinc/31/24/22/945312422.db2.gz SZQBFJCORYCIBW-QGZVFWFLSA-N 1 1 421.291 4.027 20 5 HIBDMO C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000545148831 940551204 /nfs/dbraw/zinc/55/12/04/940551204.db2.gz VENFFSDDVIYOBL-KRWDZBQOSA-N 1 1 413.493 4.135 20 5 HIBDMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000546036205 940678867 /nfs/dbraw/zinc/67/88/67/940678867.db2.gz INKBMFXBDUMVHP-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000546036205 940678870 /nfs/dbraw/zinc/67/88/70/940678870.db2.gz INKBMFXBDUMVHP-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO COc1ccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C2CC2)c(OC)c1 ZINC000549187028 941169537 /nfs/dbraw/zinc/16/95/37/941169537.db2.gz FAWQWGUAOCDAFB-CQSZACIVSA-N 1 1 410.474 4.289 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C2CC2)c(OC)c1 ZINC000549187028 941169539 /nfs/dbraw/zinc/16/95/39/941169539.db2.gz FAWQWGUAOCDAFB-CQSZACIVSA-N 1 1 410.474 4.289 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000551325533 941452178 /nfs/dbraw/zinc/45/21/78/941452178.db2.gz GENPAXLARZCLRX-CALCHBBNSA-N 1 1 411.502 4.120 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000551325533 941452179 /nfs/dbraw/zinc/45/21/79/941452179.db2.gz GENPAXLARZCLRX-CALCHBBNSA-N 1 1 411.502 4.120 20 5 HIBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000552873504 941795589 /nfs/dbraw/zinc/79/55/89/941795589.db2.gz YEQKEAVHIRSJID-LJQANCHMSA-N 1 1 413.861 4.031 20 5 HIBDMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553073357 941828535 /nfs/dbraw/zinc/82/85/35/941828535.db2.gz LNPJPLPWCMVRFJ-LBPRGKRZSA-N 1 1 403.895 4.136 20 5 HIBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000553909432 941996473 /nfs/dbraw/zinc/99/64/73/941996473.db2.gz KWBREEPOPGZZGG-CZUORRHYSA-N 1 1 407.417 4.225 20 5 HIBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000553909432 941996476 /nfs/dbraw/zinc/99/64/76/941996476.db2.gz KWBREEPOPGZZGG-CZUORRHYSA-N 1 1 407.417 4.225 20 5 HIBDMO COc1cccc(-c2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)c1OC ZINC000554846297 942285331 /nfs/dbraw/zinc/28/53/31/942285331.db2.gz RLHNPMCKDWBXJA-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO COc1cccc(-c2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)c1OC ZINC000554846297 942285343 /nfs/dbraw/zinc/28/53/43/942285343.db2.gz RLHNPMCKDWBXJA-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO COc1cc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000554873030 942302696 /nfs/dbraw/zinc/30/26/96/942302696.db2.gz PCEPJVLKKKAJJQ-UHFFFAOYSA-N 1 1 414.380 4.185 20 5 HIBDMO COc1cc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000554873030 942302703 /nfs/dbraw/zinc/30/27/03/942302703.db2.gz PCEPJVLKKKAJJQ-UHFFFAOYSA-N 1 1 414.380 4.185 20 5 HIBDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554878834 942305934 /nfs/dbraw/zinc/30/59/34/942305934.db2.gz GYHIQJKPJUEZKA-HXUWFJFHSA-N 1 1 408.506 4.453 20 5 HIBDMO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887029 942309022 /nfs/dbraw/zinc/30/90/22/942309022.db2.gz APGHQFONPXQMKS-FZKQIMNGSA-N 1 1 422.323 4.389 20 5 HIBDMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887029 942309031 /nfs/dbraw/zinc/30/90/31/942309031.db2.gz APGHQFONPXQMKS-FZKQIMNGSA-N 1 1 422.323 4.389 20 5 HIBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887029 942309036 /nfs/dbraw/zinc/30/90/36/942309036.db2.gz APGHQFONPXQMKS-FZKQIMNGSA-N 1 1 422.323 4.389 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556608685 942914092 /nfs/dbraw/zinc/91/40/92/942914092.db2.gz MYUWSSCGSIACBP-CTNGQTDRSA-N 1 1 412.486 4.326 20 5 HIBDMO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000557725626 943270770 /nfs/dbraw/zinc/27/07/70/943270770.db2.gz OGFPKAOTXPZKQW-RBZFPXEDSA-N 1 1 422.441 4.218 20 5 HIBDMO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000557725629 943270958 /nfs/dbraw/zinc/27/09/58/943270958.db2.gz OGFPKAOTXPZKQW-ZUOKHONESA-N 1 1 422.441 4.218 20 5 HIBDMO CCOc1cc(C[N@H+]2[C@H](C)CC[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000558423703 943556117 /nfs/dbraw/zinc/55/61/17/943556117.db2.gz OKQPFRVXZFODIZ-APWZRJJASA-N 1 1 416.522 4.340 20 5 HIBDMO Cc1c(CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000558609325 943616838 /nfs/dbraw/zinc/61/68/38/943616838.db2.gz CPJXADAZYXVBCV-HXUWFJFHSA-N 1 1 410.518 4.005 20 5 HIBDMO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000558903450 943737593 /nfs/dbraw/zinc/73/75/93/943737593.db2.gz JECRNFCSJDLQDU-UHFFFAOYSA-N 1 1 408.458 4.335 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000559984718 944111235 /nfs/dbraw/zinc/11/12/35/944111235.db2.gz VRGSCIKEMJLYJK-DNVCBOLYSA-N 1 1 401.532 4.133 20 5 HIBDMO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528599 944243611 /nfs/dbraw/zinc/24/36/11/944243611.db2.gz JFBNDVXUJUVPEO-YADHBBJMSA-N 1 1 411.550 4.052 20 5 HIBDMO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528596 944243794 /nfs/dbraw/zinc/24/37/94/944243794.db2.gz JFBNDVXUJUVPEO-FCHUYYIVSA-N 1 1 411.550 4.052 20 5 HIBDMO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528598 944244141 /nfs/dbraw/zinc/24/41/41/944244141.db2.gz JFBNDVXUJUVPEO-VXKWHMMOSA-N 1 1 411.550 4.052 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)Oc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560574531 944259791 /nfs/dbraw/zinc/25/97/91/944259791.db2.gz SEHNDMUZUVJVRS-IBGZPJMESA-N 1 1 416.428 4.143 20 5 HIBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000561260029 944531309 /nfs/dbraw/zinc/53/13/09/944531309.db2.gz ZNULVFGXTANVAI-SJLPKXTDSA-N 1 1 409.515 4.090 20 5 HIBDMO NC(=O)c1cccc(NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000561264906 944533535 /nfs/dbraw/zinc/53/35/35/944533535.db2.gz CCIADDCXMQGKGT-UHFFFAOYSA-N 1 1 423.300 4.077 20 5 HIBDMO CCc1oc2ccccc2c1C[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000561323113 944550970 /nfs/dbraw/zinc/55/09/70/944550970.db2.gz YSKPNBRCMFWVCW-UHFFFAOYSA-N 1 1 411.458 4.373 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000561955964 944874291 /nfs/dbraw/zinc/87/42/91/944874291.db2.gz CFOFBSWBVXOVQO-UHFFFAOYSA-N 1 1 410.449 4.342 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000569603913 946895822 /nfs/dbraw/zinc/89/58/22/946895822.db2.gz URKYTUWLHHCFOM-LJQANCHMSA-N 1 1 424.545 4.353 20 5 HIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000570490695 947266862 /nfs/dbraw/zinc/26/68/62/947266862.db2.gz WLDVDGZXUPEQDI-HNNXBMFYSA-N 1 1 402.520 4.252 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000570687617 947327377 /nfs/dbraw/zinc/32/73/77/947327377.db2.gz JXYISRLGTWUSQB-REPLKXPHSA-N 1 1 409.486 4.343 20 5 HIBDMO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000573633073 948258291 /nfs/dbraw/zinc/25/82/91/948258291.db2.gz XXFWSMPUKFPWHF-RZFNWQHOSA-N 1 1 419.529 4.060 20 5 HIBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000574183950 948380662 /nfs/dbraw/zinc/38/06/62/948380662.db2.gz QSRAYMYOJOPGPA-MRXNPFEDSA-N 1 1 405.564 4.433 20 5 HIBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164634593 719257124 /nfs/dbraw/zinc/25/71/24/719257124.db2.gz NGRNHEQUVPNOMA-CHWSQXEVSA-N 1 1 410.852 4.384 20 5 HIBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164634593 719257125 /nfs/dbraw/zinc/25/71/25/719257125.db2.gz NGRNHEQUVPNOMA-CHWSQXEVSA-N 1 1 410.852 4.384 20 5 HIBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728289 720479185 /nfs/dbraw/zinc/47/91/85/720479185.db2.gz OYIYTEHZTCXLCX-ROUUACIJSA-N 1 1 409.877 4.045 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436124870 861411075 /nfs/dbraw/zinc/41/10/75/861411075.db2.gz AUDBGJZZLBDRSS-PXNSSMCTSA-N 1 1 411.505 4.247 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000008169797 845484544 /nfs/dbraw/zinc/48/45/44/845484544.db2.gz ZCNGRRBDLFMWFL-SFHVURJKSA-N 1 1 410.518 4.201 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000015358613 846040310 /nfs/dbraw/zinc/04/03/10/846040310.db2.gz YNQCYJYNPHWSDJ-HXUWFJFHSA-N 1 1 415.446 4.122 20 5 HIBDMO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1cc(Cl)ccc1Cl ZINC000024897066 846884174 /nfs/dbraw/zinc/88/41/74/846884174.db2.gz CSGAHKXHEXNZES-UHFFFAOYSA-N 1 1 423.300 4.052 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000025255509 846948465 /nfs/dbraw/zinc/94/84/65/846948465.db2.gz GOGYWMXVIUEPER-UHFFFAOYSA-N 1 1 411.380 4.262 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000027110321 847249080 /nfs/dbraw/zinc/24/90/80/847249080.db2.gz CGIVMVRJFWIUQM-GOSISDBHSA-N 1 1 403.866 4.423 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1Cl ZINC000029049554 847497844 /nfs/dbraw/zinc/49/78/44/847497844.db2.gz UKIIVTYORPPDGY-INIZCTEOSA-N 1 1 403.891 4.496 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)o2)cc1 ZINC000029825274 847626659 /nfs/dbraw/zinc/62/66/59/847626659.db2.gz IXZZJPLJYIBHRD-HNNXBMFYSA-N 1 1 405.414 4.166 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828897 847627242 /nfs/dbraw/zinc/62/72/42/847627242.db2.gz KEELGYOGQSKVMX-MRXNPFEDSA-N 1 1 408.458 4.253 20 5 HIBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000031766349 847944580 /nfs/dbraw/zinc/94/45/80/847944580.db2.gz DAKDJKRUDGQELC-SFHVURJKSA-N 1 1 413.543 4.118 20 5 HIBDMO O=C(CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000052823785 849631722 /nfs/dbraw/zinc/63/17/22/849631722.db2.gz FTNDRVJVUPVHQJ-UHFFFAOYSA-N 1 1 408.433 4.333 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000060269509 851057512 /nfs/dbraw/zinc/05/75/12/851057512.db2.gz NXIWYVBVHHHKNJ-FQEVSTJZSA-N 1 1 415.465 4.052 20 5 HIBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065099647 852064151 /nfs/dbraw/zinc/06/41/51/852064151.db2.gz VMWRNMVBHYGWHZ-GOSISDBHSA-N 1 1 422.510 4.113 20 5 HIBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071895438 852426674 /nfs/dbraw/zinc/42/66/74/852426674.db2.gz JKTJKGPUTJCPJR-GOSISDBHSA-N 1 1 408.285 4.469 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000096993954 852570581 /nfs/dbraw/zinc/57/05/81/852570581.db2.gz TYLACGVNFXIDKF-AWEZNQCLSA-N 1 1 405.380 4.036 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000112654565 853236878 /nfs/dbraw/zinc/23/68/78/853236878.db2.gz BMUGVBMFJUJULZ-NRFANRHFSA-N 1 1 417.481 4.063 20 5 HIBDMO C[N@H+](CCc1ccccn1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000216077347 853844075 /nfs/dbraw/zinc/84/40/75/853844075.db2.gz CDECYMVLIAXUSM-NRFANRHFSA-N 1 1 424.888 4.498 20 5 HIBDMO C[N@@H+](CCc1ccccn1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000216077347 853844080 /nfs/dbraw/zinc/84/40/80/853844080.db2.gz CDECYMVLIAXUSM-NRFANRHFSA-N 1 1 424.888 4.498 20 5 HIBDMO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1Br ZINC000216747867 853857598 /nfs/dbraw/zinc/85/75/98/853857598.db2.gz JCHRODTVIPNPFV-LLVKDONJSA-N 1 1 423.263 4.083 20 5 HIBDMO COc1ccccc1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000237179353 853976638 /nfs/dbraw/zinc/97/66/38/853976638.db2.gz XTHGHSYMFRPMOY-UHFFFAOYSA-N 1 1 408.454 4.481 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000237193838 853978506 /nfs/dbraw/zinc/97/85/06/853978506.db2.gz HFNNSACSCOYCNQ-UHFFFAOYSA-N 1 1 417.206 4.257 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc(F)c(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237314800 854004863 /nfs/dbraw/zinc/00/48/63/854004863.db2.gz ZVBRUXARKGHZDF-UHFFFAOYSA-N 1 1 402.344 4.282 20 5 HIBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000237452714 854035946 /nfs/dbraw/zinc/03/59/46/854035946.db2.gz WRSKIKAXOSFOAY-UHFFFAOYSA-N 1 1 420.874 4.202 20 5 HIBDMO C[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000237589564 854059774 /nfs/dbraw/zinc/05/97/74/854059774.db2.gz JSZBYAXNVOSRNH-QGZVFWFLSA-N 1 1 405.502 4.020 20 5 HIBDMO C[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000237589564 854059779 /nfs/dbraw/zinc/05/97/79/854059779.db2.gz JSZBYAXNVOSRNH-QGZVFWFLSA-N 1 1 405.502 4.020 20 5 HIBDMO Cc1ccccc1C[NH+]1CCC(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237733231 854085885 /nfs/dbraw/zinc/08/58/85/854085885.db2.gz CIHNIMGHYFNSFA-UHFFFAOYSA-N 1 1 419.529 4.058 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)C1 ZINC000301083198 854290552 /nfs/dbraw/zinc/29/05/52/854290552.db2.gz GTVLEIYOPBINHP-OAHLLOKOSA-N 1 1 407.474 4.088 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@@H]1c1cccs1 ZINC000301449140 854396995 /nfs/dbraw/zinc/39/69/95/854396995.db2.gz WROXVCAMOGKOQZ-IFXJQAMLSA-N 1 1 416.503 4.108 20 5 HIBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000301507201 854409829 /nfs/dbraw/zinc/40/98/29/854409829.db2.gz AAYVFUFCZKJLOS-GHTZIAJQSA-N 1 1 422.529 4.296 20 5 HIBDMO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Br)[NH+]2CCCC2)c1 ZINC000301520500 854411323 /nfs/dbraw/zinc/41/13/23/854411323.db2.gz GRCOZGWMJQALSZ-QGZVFWFLSA-N 1 1 421.295 4.010 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301670990 854441829 /nfs/dbraw/zinc/44/18/29/854441829.db2.gz FJNCAZYRGIBNSZ-IYBDPMFKSA-N 1 1 424.501 4.016 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301687143 854445639 /nfs/dbraw/zinc/44/56/39/854445639.db2.gz VYIPKZWHZBFZCP-CQSZACIVSA-N 1 1 411.344 4.233 20 5 HIBDMO CN1CC[NH+](C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc2)CC1 ZINC000301861912 854478684 /nfs/dbraw/zinc/47/86/84/854478684.db2.gz LCSYVZDFEVJKOX-OAQYLSRUSA-N 1 1 417.513 4.057 20 5 HIBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000302137105 854535866 /nfs/dbraw/zinc/53/58/66/854535866.db2.gz IFZJVQPEUHGGDU-UHFFFAOYSA-N 1 1 407.417 4.069 20 5 HIBDMO Cc1cc(NCc2ccccc2C[NH+]2CCC(O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302154147 854538111 /nfs/dbraw/zinc/53/81/11/854538111.db2.gz IJERZDMUACRNDJ-UHFFFAOYSA-N 1 1 406.486 4.020 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000302909576 854676263 /nfs/dbraw/zinc/67/62/63/854676263.db2.gz IZHICOOLJATGNY-INIZCTEOSA-N 1 1 408.458 4.387 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000302935221 854686874 /nfs/dbraw/zinc/68/68/74/854686874.db2.gz FXLOGOTXBMGESJ-QGZVFWFLSA-N 1 1 405.564 4.190 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000303754847 855175366 /nfs/dbraw/zinc/17/53/66/855175366.db2.gz MUBXLQSGHMTQAL-DOTOQJQBSA-N 1 1 401.894 4.373 20 5 HIBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000304062161 855347683 /nfs/dbraw/zinc/34/76/83/855347683.db2.gz RMVUPZQSBBXOAS-NRFANRHFSA-N 1 1 421.522 4.115 20 5 HIBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000304062161 855347691 /nfs/dbraw/zinc/34/76/91/855347691.db2.gz RMVUPZQSBBXOAS-NRFANRHFSA-N 1 1 421.522 4.115 20 5 HIBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000426562414 856349772 /nfs/dbraw/zinc/34/97/72/856349772.db2.gz RZXBKECBKUSJBV-HNNXBMFYSA-N 1 1 419.909 4.193 20 5 HIBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000426568353 856353654 /nfs/dbraw/zinc/35/36/54/856353654.db2.gz OYKSHEHLCHHVGS-IBGZPJMESA-N 1 1 424.545 4.048 20 5 HIBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000428080244 857065356 /nfs/dbraw/zinc/06/53/56/857065356.db2.gz YQWCESQSOBIYMQ-NRFANRHFSA-N 1 1 406.486 4.183 20 5 HIBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000428459547 857209005 /nfs/dbraw/zinc/20/90/05/857209005.db2.gz MMBKOYQIBZANHQ-QHCPKHFHSA-N 1 1 414.502 4.167 20 5 HIBDMO Cc1noc(C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)n1 ZINC000428653985 857290541 /nfs/dbraw/zinc/29/05/41/857290541.db2.gz UOHUFGKDXBZFRE-IBGZPJMESA-N 1 1 421.482 4.483 20 5 HIBDMO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000437589175 862903408 /nfs/dbraw/zinc/90/34/08/862903408.db2.gz CWTGLPMWEHSWJP-OAHLLOKOSA-N 1 1 402.882 4.377 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250965 857575608 /nfs/dbraw/zinc/57/56/08/857575608.db2.gz AJLBRLVSRMZBTG-REWPJTCUSA-N 1 1 423.513 4.332 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250965 857575616 /nfs/dbraw/zinc/57/56/16/857575616.db2.gz AJLBRLVSRMZBTG-REWPJTCUSA-N 1 1 423.513 4.332 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429314126 857599673 /nfs/dbraw/zinc/59/96/73/857599673.db2.gz RFKMRKYVYNOILS-UHFFFAOYSA-N 1 1 418.497 4.372 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430873542 858349949 /nfs/dbraw/zinc/34/99/49/858349949.db2.gz UMTGORYFVRTBLH-YADHBBJMSA-N 1 1 404.470 4.201 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430873542 858349957 /nfs/dbraw/zinc/34/99/57/858349957.db2.gz UMTGORYFVRTBLH-YADHBBJMSA-N 1 1 404.470 4.201 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000431032770 858411568 /nfs/dbraw/zinc/41/15/68/858411568.db2.gz LQTJGZAEXWRTGC-UHFFFAOYSA-N 1 1 420.307 4.128 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000431071758 858434598 /nfs/dbraw/zinc/43/45/98/858434598.db2.gz BUXRNXOULCYAIF-GDBMZVCRSA-N 1 1 402.882 4.423 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1Cl ZINC000437699445 863034484 /nfs/dbraw/zinc/03/44/84/863034484.db2.gz KVOMCVIDQXWNKW-HXUWFJFHSA-N 1 1 416.909 4.225 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431945868 858881872 /nfs/dbraw/zinc/88/18/72/858881872.db2.gz LFZPHWZFADGZNU-GJZGRUSLSA-N 1 1 424.339 4.084 20 5 HIBDMO CC1(C)C[C@H]([NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c2cc([N+](=O)[O-])ccc21 ZINC000433171521 859553006 /nfs/dbraw/zinc/55/30/06/859553006.db2.gz DVSSSZCZRTWGMF-HNNXBMFYSA-N 1 1 405.380 4.169 20 5 HIBDMO COc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000433307243 859628632 /nfs/dbraw/zinc/62/86/32/859628632.db2.gz UICFYXJPPJAVNI-IBGZPJMESA-N 1 1 422.428 4.198 20 5 HIBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000434336556 860297598 /nfs/dbraw/zinc/29/75/98/860297598.db2.gz ZKTXEGJYLHGKLV-HXUWFJFHSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435301398 860727504 /nfs/dbraw/zinc/72/75/04/860727504.db2.gz YDPZTYRNFGPGAM-IBGZPJMESA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435301399 860727720 /nfs/dbraw/zinc/72/77/20/860727720.db2.gz YDPZTYRNFGPGAM-LJQANCHMSA-N 1 1 419.485 4.107 20 5 HIBDMO COc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000435875020 861134292 /nfs/dbraw/zinc/13/42/92/861134292.db2.gz PUYRSCRGBTXQRN-QGZVFWFLSA-N 1 1 417.893 4.041 20 5 HIBDMO COc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000435875020 861134304 /nfs/dbraw/zinc/13/43/04/861134304.db2.gz PUYRSCRGBTXQRN-QGZVFWFLSA-N 1 1 417.893 4.041 20 5 HIBDMO CC[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000437935586 863310575 /nfs/dbraw/zinc/31/05/75/863310575.db2.gz SJYOZKHLUHLSOJ-OAQYLSRUSA-N 1 1 422.529 4.106 20 5 HIBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000438547841 863976543 /nfs/dbraw/zinc/97/65/43/863976543.db2.gz UBYSSYQAXMOTMV-SFHVURJKSA-N 1 1 406.866 4.278 20 5 HIBDMO Cc1ccc(Sc2ccc(C[N@H+](C)CC3(O)CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000438551541 863981706 /nfs/dbraw/zinc/98/17/06/863981706.db2.gz FCTISRXGTSSQOF-UHFFFAOYSA-N 1 1 402.516 4.028 20 5 HIBDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065520 864516397 /nfs/dbraw/zinc/51/63/97/864516397.db2.gz AUEBVWKTJMXLPB-HRAATJIYSA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065520 864516419 /nfs/dbraw/zinc/51/64/19/864516419.db2.gz AUEBVWKTJMXLPB-HRAATJIYSA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065522 864517701 /nfs/dbraw/zinc/51/77/01/864517701.db2.gz AUEBVWKTJMXLPB-IIBYNOLFSA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065522 864517730 /nfs/dbraw/zinc/51/77/30/864517730.db2.gz AUEBVWKTJMXLPB-IIBYNOLFSA-N 1 1 411.506 4.063 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000439148045 864579422 /nfs/dbraw/zinc/57/94/22/864579422.db2.gz QEXFSRAOUBVYJD-GASCZTMLSA-N 1 1 417.893 4.418 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000439148045 864579426 /nfs/dbraw/zinc/57/94/26/864579426.db2.gz QEXFSRAOUBVYJD-GASCZTMLSA-N 1 1 417.893 4.418 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000439148046 864579494 /nfs/dbraw/zinc/57/94/94/864579494.db2.gz QEXFSRAOUBVYJD-GJZGRUSLSA-N 1 1 417.893 4.418 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439884215 865196362 /nfs/dbraw/zinc/19/63/62/865196362.db2.gz SPHZVSHHAYBSAX-WMZOPIPTSA-N 1 1 412.490 4.026 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000439910600 865219557 /nfs/dbraw/zinc/21/95/57/865219557.db2.gz HVWKGINBKJWLFF-SJORKVTESA-N 1 1 404.511 4.112 20 5 HIBDMO Cn1cc(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443067333 867808703 /nfs/dbraw/zinc/80/87/03/867808703.db2.gz IZKJEJCQEZYOHB-ICPLQIHGSA-N 1 1 410.518 4.165 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638535 868223269 /nfs/dbraw/zinc/22/32/69/868223269.db2.gz IWIWTNZDTVCXNO-CQSZACIVSA-N 1 1 412.421 4.002 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638535 868223282 /nfs/dbraw/zinc/22/32/82/868223282.db2.gz IWIWTNZDTVCXNO-CQSZACIVSA-N 1 1 412.421 4.002 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642732 868228316 /nfs/dbraw/zinc/22/83/16/868228316.db2.gz PCTBQHILXOMWPC-KGLIPLIRSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642732 868228340 /nfs/dbraw/zinc/22/83/40/868228340.db2.gz PCTBQHILXOMWPC-KGLIPLIRSA-N 1 1 412.421 4.082 20 5 HIBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000443941339 868477419 /nfs/dbraw/zinc/47/74/19/868477419.db2.gz ALEGJVAXIGHGTR-GFCCVEGCSA-N 1 1 416.279 4.023 20 5 HIBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444007960 868529927 /nfs/dbraw/zinc/52/99/27/868529927.db2.gz ICQWHOJAVFTFFG-KRWDZBQOSA-N 1 1 405.542 4.312 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444032479 868566130 /nfs/dbraw/zinc/56/61/30/868566130.db2.gz PUNWKRQVJURYOH-FQEVSTJZSA-N 1 1 411.505 4.076 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000444175543 868650804 /nfs/dbraw/zinc/65/08/04/868650804.db2.gz KRIGBKZGVAEEIO-KUHUBIRLSA-N 1 1 401.438 4.154 20 5 HIBDMO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000444674543 868952054 /nfs/dbraw/zinc/95/20/54/868952054.db2.gz KFRRAEAKKLCPLZ-JTQLQIEISA-N 1 1 423.807 4.282 20 5 HIBDMO Cc1cccc2nc(C3CC[NH+](Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)CC3)oc21 ZINC000444758690 868989608 /nfs/dbraw/zinc/98/96/08/868989608.db2.gz DNIYOTBRVWXWEF-UHFFFAOYSA-N 1 1 419.441 4.474 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000446280258 870213453 /nfs/dbraw/zinc/21/34/53/870213453.db2.gz HLSAMCYILMAOHQ-PXNSSMCTSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000446280258 870213460 /nfs/dbraw/zinc/21/34/60/870213460.db2.gz HLSAMCYILMAOHQ-PXNSSMCTSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000446484010 870398224 /nfs/dbraw/zinc/39/82/24/870398224.db2.gz FYKNSKKPLXKMBV-INIZCTEOSA-N 1 1 422.407 4.318 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000446487793 870400245 /nfs/dbraw/zinc/40/02/45/870400245.db2.gz FUKJVFFPWITKEX-KNQAVFIVSA-N 1 1 408.502 4.422 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000446974397 870871890 /nfs/dbraw/zinc/87/18/90/870871890.db2.gz IKXSPHQETJPYGQ-SNVBAGLBSA-N 1 1 416.318 4.319 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000446974397 870871896 /nfs/dbraw/zinc/87/18/96/870871896.db2.gz IKXSPHQETJPYGQ-SNVBAGLBSA-N 1 1 416.318 4.319 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000446977769 870875313 /nfs/dbraw/zinc/87/53/13/870875313.db2.gz RIRYBXGMWBZFHV-SJCJKPOMSA-N 1 1 400.422 4.459 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000447343106 871242569 /nfs/dbraw/zinc/24/25/69/871242569.db2.gz XSEBNPGQGDFNJH-HSZRJFAPSA-N 1 1 423.444 4.450 20 5 HIBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000460836271 873725305 /nfs/dbraw/zinc/72/53/05/873725305.db2.gz KOGJKQLBDMCSNB-UHFFFAOYSA-N 1 1 415.493 4.071 20 5 HIBDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000468697518 882819281 /nfs/dbraw/zinc/81/92/81/882819281.db2.gz SZBOMPXDDZNNLN-AWEZNQCLSA-N 1 1 420.428 4.183 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000461474016 874529168 /nfs/dbraw/zinc/52/91/68/874529168.db2.gz YAAMZKLICPLOCJ-SFHVURJKSA-N 1 1 406.486 4.108 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000468746359 882840500 /nfs/dbraw/zinc/84/05/00/882840500.db2.gz GZIKWPOQKPLSOU-YBEGLDIGSA-N 1 1 422.510 4.174 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462158498 875254195 /nfs/dbraw/zinc/25/41/95/875254195.db2.gz LXZDPGYXLJSYMQ-OXJNMPFZSA-N 1 1 413.543 4.346 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462477071 875583724 /nfs/dbraw/zinc/58/37/24/875583724.db2.gz VJMLONHFTHPSOK-HUUCEWRRSA-N 1 1 413.503 4.146 20 5 HIBDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000462477069 875584712 /nfs/dbraw/zinc/58/47/12/875584712.db2.gz VJMLONHFTHPSOK-CABCVRRESA-N 1 1 413.503 4.146 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551170 875675073 /nfs/dbraw/zinc/67/50/73/875675073.db2.gz MKLDRZZLRSQUFK-KKSFZXQISA-N 1 1 408.527 4.328 20 5 HIBDMO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551170 875675094 /nfs/dbraw/zinc/67/50/94/875675094.db2.gz MKLDRZZLRSQUFK-KKSFZXQISA-N 1 1 408.527 4.328 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000462742490 875812858 /nfs/dbraw/zinc/81/28/58/875812858.db2.gz FIACYGJJORMUCZ-FQEVSTJZSA-N 1 1 413.493 4.037 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000462742490 875812859 /nfs/dbraw/zinc/81/28/59/875812859.db2.gz FIACYGJJORMUCZ-FQEVSTJZSA-N 1 1 413.493 4.037 20 5 HIBDMO COc1cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462872332 875902729 /nfs/dbraw/zinc/90/27/29/875902729.db2.gz DWERZCKKUZMOJK-HXUWFJFHSA-N 1 1 400.475 4.182 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462921278 875950692 /nfs/dbraw/zinc/95/06/92/875950692.db2.gz DZWVTOSIXBAVAT-MOPGFXCFSA-N 1 1 415.559 4.253 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000463041831 876066712 /nfs/dbraw/zinc/06/67/12/876066712.db2.gz HYWCNPOHIPFHDY-OAQYLSRUSA-N 1 1 406.429 4.013 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000463041831 876066732 /nfs/dbraw/zinc/06/67/32/876066732.db2.gz HYWCNPOHIPFHDY-OAQYLSRUSA-N 1 1 406.429 4.013 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161217 876215543 /nfs/dbraw/zinc/21/55/43/876215543.db2.gz MXFZTKUMMICTHI-BBRMVZONSA-N 1 1 407.392 4.179 20 5 HIBDMO CN(CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000463337886 876393487 /nfs/dbraw/zinc/39/34/87/876393487.db2.gz YAZJAZJCRRYKMR-UHFFFAOYSA-N 1 1 410.518 4.434 20 5 HIBDMO CC[N@H+](C[C@@H](C)OC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427573 876482671 /nfs/dbraw/zinc/48/26/71/876482671.db2.gz GKFJXQVIZYUINO-KUHUBIRLSA-N 1 1 405.882 4.285 20 5 HIBDMO CC[N@@H+](C[C@@H](C)OC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427573 876482675 /nfs/dbraw/zinc/48/26/75/876482675.db2.gz GKFJXQVIZYUINO-KUHUBIRLSA-N 1 1 405.882 4.285 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463755827 876878518 /nfs/dbraw/zinc/87/85/18/876878518.db2.gz OKHVPIOXQSNHAP-INIZCTEOSA-N 1 1 413.440 4.388 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000463957859 877081203 /nfs/dbraw/zinc/08/12/03/877081203.db2.gz HNHSHMLJVZFZGU-INIZCTEOSA-N 1 1 402.520 4.307 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463980443 877111433 /nfs/dbraw/zinc/11/14/33/877111433.db2.gz ZCUVFGDTJWIQAK-LJQANCHMSA-N 1 1 411.506 4.125 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000464733597 877968542 /nfs/dbraw/zinc/96/85/42/877968542.db2.gz JWLSPUXNVSHIPC-KUHUBIRLSA-N 1 1 401.438 4.154 20 5 HIBDMO Cc1ccc(CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]2CCCO2)cc1 ZINC000464777738 878021241 /nfs/dbraw/zinc/02/12/41/878021241.db2.gz PBRPUTTUHYOURY-OAQYLSRUSA-N 1 1 422.485 4.177 20 5 HIBDMO Cc1ccc(CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]2CCCO2)cc1 ZINC000464777738 878021266 /nfs/dbraw/zinc/02/12/66/878021266.db2.gz PBRPUTTUHYOURY-OAQYLSRUSA-N 1 1 422.485 4.177 20 5 HIBDMO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782624 878027957 /nfs/dbraw/zinc/02/79/57/878027957.db2.gz YUNZGWZKHFHCCX-MSOLQXFVSA-N 1 1 411.502 4.012 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840396 878109684 /nfs/dbraw/zinc/10/96/84/878109684.db2.gz UNGAWJZUTMTHJG-MJGOQNOKSA-N 1 1 421.501 4.160 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503411833 912393472 /nfs/dbraw/zinc/39/34/72/912393472.db2.gz QWQYTFNJWAYPDQ-DOTOQJQBSA-N 1 1 422.489 4.118 20 5 HIBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000465634912 879148540 /nfs/dbraw/zinc/14/85/40/879148540.db2.gz NPCRYNKJUJTTIU-GMBSWORKSA-N 1 1 402.520 4.100 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000465640176 879154571 /nfs/dbraw/zinc/15/45/71/879154571.db2.gz QQODVLLBQCJBOT-AZUAARDMSA-N 1 1 410.518 4.209 20 5 HIBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466627631 880400594 /nfs/dbraw/zinc/40/05/94/880400594.db2.gz MMDRDFNVBUCMFE-CQSZACIVSA-N 1 1 417.918 4.366 20 5 HIBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000466816938 880591012 /nfs/dbraw/zinc/59/10/12/880591012.db2.gz PMRRUDBMNHREJW-AWEZNQCLSA-N 1 1 419.934 4.471 20 5 HIBDMO C[N@@H+](C[C@H]1CCCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140689 880883464 /nfs/dbraw/zinc/88/34/64/880883464.db2.gz ZBEYYJYRWZCJLN-QRWLVFNGSA-N 1 1 417.893 4.286 20 5 HIBDMO COc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000467390016 881172280 /nfs/dbraw/zinc/17/22/80/881172280.db2.gz UBYVVPBYTQNDAA-IBGZPJMESA-N 1 1 400.475 4.183 20 5 HIBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000470122466 884383596 /nfs/dbraw/zinc/38/35/96/884383596.db2.gz MJZPCAUTUDYUFF-UWJYYQICSA-N 1 1 412.465 4.252 20 5 HIBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470127520 884390820 /nfs/dbraw/zinc/39/08/20/884390820.db2.gz COPCRSKSARJWRI-KZULUSFZSA-N 1 1 424.835 4.341 20 5 HIBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154209 884426339 /nfs/dbraw/zinc/42/63/39/884426339.db2.gz ZNGWBGUQRLUGEI-SIFCLUCFSA-N 1 1 415.877 4.126 20 5 HIBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154209 884426345 /nfs/dbraw/zinc/42/63/45/884426345.db2.gz ZNGWBGUQRLUGEI-SIFCLUCFSA-N 1 1 415.877 4.126 20 5 HIBDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470181169 884468561 /nfs/dbraw/zinc/46/85/61/884468561.db2.gz ZEOXCDXESIPSID-ZIBIDDQLSA-N 1 1 409.486 4.418 20 5 HIBDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470181169 884468578 /nfs/dbraw/zinc/46/85/78/884468578.db2.gz ZEOXCDXESIPSID-ZIBIDDQLSA-N 1 1 409.486 4.418 20 5 HIBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471003753 885504757 /nfs/dbraw/zinc/50/47/57/885504757.db2.gz ANARAYSAIWIRQN-GOSISDBHSA-N 1 1 409.408 4.393 20 5 HIBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)c1cccc(O)c1 ZINC000471181276 885746143 /nfs/dbraw/zinc/74/61/43/885746143.db2.gz DZDBGFBRQRZOGL-GFCCVEGCSA-N 1 1 422.279 4.085 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)c1cccc(O)c1 ZINC000471181276 885746160 /nfs/dbraw/zinc/74/61/60/885746160.db2.gz DZDBGFBRQRZOGL-GFCCVEGCSA-N 1 1 422.279 4.085 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000471990250 886816631 /nfs/dbraw/zinc/81/66/31/886816631.db2.gz WXOFLTCWGASRLH-QFBILLFUSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000471990250 886816633 /nfs/dbraw/zinc/81/66/33/886816633.db2.gz WXOFLTCWGASRLH-QFBILLFUSA-N 1 1 402.882 4.432 20 5 HIBDMO CCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473492436 888212932 /nfs/dbraw/zinc/21/29/32/888212932.db2.gz ATORAEDFKCJZAS-XMMPIXPASA-N 1 1 407.514 4.286 20 5 HIBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000474830218 889688208 /nfs/dbraw/zinc/68/82/08/889688208.db2.gz FWRHKXFECCISEC-JOCHJYFZSA-N 1 1 413.905 4.377 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000475192555 890062547 /nfs/dbraw/zinc/06/25/47/890062547.db2.gz QXFCXAFQECDEOY-WBMJQRKESA-N 1 1 412.412 4.094 20 5 HIBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293384 890197086 /nfs/dbraw/zinc/19/70/86/890197086.db2.gz WJHXVBIXYMVXPB-QVKFZJNVSA-N 1 1 418.877 4.420 20 5 HIBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293384 890197100 /nfs/dbraw/zinc/19/71/00/890197100.db2.gz WJHXVBIXYMVXPB-QVKFZJNVSA-N 1 1 418.877 4.420 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@]3(CO)Cc3ccccc3)cs2)c1 ZINC000475375182 890303777 /nfs/dbraw/zinc/30/37/77/890303777.db2.gz OZUJJEQHIJNHIV-QFIPXVFZSA-N 1 1 409.511 4.288 20 5 HIBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475374720 890304777 /nfs/dbraw/zinc/30/47/77/890304777.db2.gz QSYXIEFVBDYXSI-KSSFIOAISA-N 1 1 402.422 4.157 20 5 HIBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475374720 890304793 /nfs/dbraw/zinc/30/47/93/890304793.db2.gz QSYXIEFVBDYXSI-KSSFIOAISA-N 1 1 402.422 4.157 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706049 890643806 /nfs/dbraw/zinc/64/38/06/890643806.db2.gz NFAYBENZDUVMEO-PBHICJAKSA-N 1 1 402.447 4.021 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706049 890643810 /nfs/dbraw/zinc/64/38/10/890643810.db2.gz NFAYBENZDUVMEO-PBHICJAKSA-N 1 1 402.447 4.021 20 5 HIBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477079838 892014610 /nfs/dbraw/zinc/01/46/10/892014610.db2.gz DUORSWMYWGDWCP-UHFFFAOYSA-N 1 1 418.497 4.204 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000477485996 892479209 /nfs/dbraw/zinc/47/92/09/892479209.db2.gz AKLXPQJDRPXZHO-CQSZACIVSA-N 1 1 422.384 4.271 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000477485996 892479238 /nfs/dbraw/zinc/47/92/38/892479238.db2.gz AKLXPQJDRPXZHO-CQSZACIVSA-N 1 1 422.384 4.271 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478235971 893399025 /nfs/dbraw/zinc/39/90/25/893399025.db2.gz LUCYWEVKXWFCSG-INIZCTEOSA-N 1 1 404.511 4.112 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478332762 893568822 /nfs/dbraw/zinc/56/88/22/893568822.db2.gz CPOXDAQZUKTKJA-GOSISDBHSA-N 1 1 401.551 4.376 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000478352118 893599372 /nfs/dbraw/zinc/59/93/72/893599372.db2.gz UNVDQQXOOXOLSA-SFHVURJKSA-N 1 1 412.534 4.053 20 5 HIBDMO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000478671245 893920550 /nfs/dbraw/zinc/92/05/50/893920550.db2.gz TZXDWIYOKZYVBE-ZWKOTPCHSA-N 1 1 410.518 4.200 20 5 HIBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000480024327 895372991 /nfs/dbraw/zinc/37/29/91/895372991.db2.gz YSCIMZNPWCQMIC-OXJNMPFZSA-N 1 1 411.502 4.037 20 5 HIBDMO CCOc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505351884 914017948 /nfs/dbraw/zinc/01/79/48/914017948.db2.gz UUPDZEVEKSSBCD-CALCHBBNSA-N 1 1 416.522 4.055 20 5 HIBDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481175119 896510089 /nfs/dbraw/zinc/51/00/89/896510089.db2.gz LWLICZOTMVNXMR-PGRDOPGGSA-N 1 1 420.513 4.293 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC(F)F ZINC000481706775 897097351 /nfs/dbraw/zinc/09/73/51/897097351.db2.gz KZAOCUAJEBCZIS-NRFANRHFSA-N 1 1 420.412 4.226 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC(F)F ZINC000481706775 897097357 /nfs/dbraw/zinc/09/73/57/897097357.db2.gz KZAOCUAJEBCZIS-NRFANRHFSA-N 1 1 420.412 4.226 20 5 HIBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)sc2C1 ZINC000481997500 897393575 /nfs/dbraw/zinc/39/35/75/897393575.db2.gz JBRVFBZLVLDCEA-UHFFFAOYSA-N 1 1 420.560 4.430 20 5 HIBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)sc2C1 ZINC000481997500 897393589 /nfs/dbraw/zinc/39/35/89/897393589.db2.gz JBRVFBZLVLDCEA-UHFFFAOYSA-N 1 1 420.560 4.430 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000482214740 897694733 /nfs/dbraw/zinc/69/47/33/897694733.db2.gz TZGWCFFUOKQMGL-QHCPKHFHSA-N 1 1 408.502 4.342 20 5 HIBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496670 898077611 /nfs/dbraw/zinc/07/76/11/898077611.db2.gz RWYKYFOTBCFLJZ-ZBFHGGJFSA-N 1 1 422.865 4.051 20 5 HIBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482503408 898085428 /nfs/dbraw/zinc/08/54/28/898085428.db2.gz FJSAXQUVRKWNNT-VQIMIIECSA-N 1 1 416.522 4.198 20 5 HIBDMO Cc1nc2ccccc2n1C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000482886789 898503066 /nfs/dbraw/zinc/50/30/66/898503066.db2.gz JIFSDHFQARYIDD-UHFFFAOYSA-N 1 1 418.457 4.140 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000483420255 899050590 /nfs/dbraw/zinc/05/05/90/899050590.db2.gz QWLWAYQBIRBZSG-QHCPKHFHSA-N 1 1 424.501 4.123 20 5 HIBDMO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000483426073 899055009 /nfs/dbraw/zinc/05/50/09/899055009.db2.gz LGBPMZVABKYBRB-GOSISDBHSA-N 1 1 400.529 4.347 20 5 HIBDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000483426073 899055028 /nfs/dbraw/zinc/05/50/28/899055028.db2.gz LGBPMZVABKYBRB-GOSISDBHSA-N 1 1 400.529 4.347 20 5 HIBDMO CCn1c(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)nc2cc(Br)ccc21 ZINC000483490707 899144491 /nfs/dbraw/zinc/14/44/91/899144491.db2.gz NUEDUEORCGKPCW-UHFFFAOYSA-N 1 1 419.279 4.025 20 5 HIBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483596858 899247017 /nfs/dbraw/zinc/24/70/17/899247017.db2.gz WCNVLEAJQDTTSN-PZJWPPBQSA-N 1 1 418.497 4.203 20 5 HIBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484969731 900329553 /nfs/dbraw/zinc/32/95/53/900329553.db2.gz NHRZWZJUMLSVHZ-SJORKVTESA-N 1 1 415.877 4.397 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000485030767 900372503 /nfs/dbraw/zinc/37/25/03/900372503.db2.gz SABCKMNEXBNGRJ-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(F)cc1Br ZINC000485030767 900372506 /nfs/dbraw/zinc/37/25/06/900372506.db2.gz SABCKMNEXBNGRJ-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485162933 900461643 /nfs/dbraw/zinc/46/16/43/900461643.db2.gz SRJHNLGMBCCQMB-AZUAARDMSA-N 1 1 422.529 4.153 20 5 HIBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497914 900787034 /nfs/dbraw/zinc/78/70/34/900787034.db2.gz VUKZJANHOFIVRA-NVXWUHKLSA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497914 900787041 /nfs/dbraw/zinc/78/70/41/900787041.db2.gz VUKZJANHOFIVRA-NVXWUHKLSA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1cccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000486398669 901560432 /nfs/dbraw/zinc/56/04/32/901560432.db2.gz GWIJWNWEPCNJEV-UHFFFAOYSA-N 1 1 413.543 4.301 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486431987 901591270 /nfs/dbraw/zinc/59/12/70/901591270.db2.gz DPXGKAIKOZEZMX-AUUYWEPGSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486431987 901591275 /nfs/dbraw/zinc/59/12/75/901591275.db2.gz DPXGKAIKOZEZMX-AUUYWEPGSA-N 1 1 405.857 4.119 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486466374 901627811 /nfs/dbraw/zinc/62/78/11/901627811.db2.gz XBHXJYLQCUAHSX-RQPNIASVSA-N 1 1 408.502 4.387 20 5 HIBDMO CC(C)([C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000486555617 901701154 /nfs/dbraw/zinc/70/11/54/901701154.db2.gz JLQIMNQEYXRKRB-QGZVFWFLSA-N 1 1 409.458 4.280 20 5 HIBDMO C[NH+](C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000486721697 901812824 /nfs/dbraw/zinc/81/28/24/901812824.db2.gz HJJCKRHSXROHCS-MRXNPFEDSA-N 1 1 415.799 4.186 20 5 HIBDMO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487185567 902091375 /nfs/dbraw/zinc/09/13/75/902091375.db2.gz MGFGXHMEEWMVJP-SIKLNZKXSA-N 1 1 424.545 4.127 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000489530489 903441270 /nfs/dbraw/zinc/44/12/70/903441270.db2.gz DNVFGPYHDLVNFN-IEBWSBKVSA-N 1 1 410.518 4.182 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000489936597 903686996 /nfs/dbraw/zinc/68/69/96/903686996.db2.gz RZEQRRUGBOAJMM-INIZCTEOSA-N 1 1 401.532 4.347 20 5 HIBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490151291 903795018 /nfs/dbraw/zinc/79/50/18/903795018.db2.gz HJLINVVHVJNCAD-OAQYLSRUSA-N 1 1 421.501 4.439 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289783 903878768 /nfs/dbraw/zinc/87/87/68/903878768.db2.gz QXJJEBJSZBKJQE-RBBKRZOGSA-N 1 1 417.456 4.146 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289783 903878779 /nfs/dbraw/zinc/87/87/79/903878779.db2.gz QXJJEBJSZBKJQE-RBBKRZOGSA-N 1 1 417.456 4.146 20 5 HIBDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342794 903935626 /nfs/dbraw/zinc/93/56/26/903935626.db2.gz VOPJFRRTFNDWFS-KBPBESRZSA-N 1 1 404.479 4.353 20 5 HIBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000506148723 914825100 /nfs/dbraw/zinc/82/51/00/914825100.db2.gz TZSOQLLMUKEURF-CQSZACIVSA-N 1 1 405.380 4.036 20 5 HIBDMO Cc1c(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000491541818 904643412 /nfs/dbraw/zinc/64/34/12/904643412.db2.gz VZUWZKHBLUUSBW-IBGZPJMESA-N 1 1 407.392 4.296 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000491603990 904670943 /nfs/dbraw/zinc/67/09/43/904670943.db2.gz IBBWKSUUUXRMCD-SFHVURJKSA-N 1 1 407.474 4.158 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)co2)cc1 ZINC000492420749 904847160 /nfs/dbraw/zinc/84/71/60/904847160.db2.gz GFFPFXIPPJRGIW-UHFFFAOYSA-N 1 1 421.379 4.302 20 5 HIBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)c2ccccc2)c1 ZINC000493246047 905064286 /nfs/dbraw/zinc/06/42/86/905064286.db2.gz GTEFDEMRVJRLAQ-XMMPIXPASA-N 1 1 419.481 4.427 20 5 HIBDMO NC(=O)CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Cc1ccccc1 ZINC000506257640 914868281 /nfs/dbraw/zinc/86/82/81/914868281.db2.gz DUYYITIPAOJOQM-UHFFFAOYSA-N 1 1 413.861 4.386 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345117 905092666 /nfs/dbraw/zinc/09/26/66/905092666.db2.gz VVWXZARUMMHFDQ-JXFKEZNVSA-N 1 1 411.527 4.221 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c([N+](=O)[O-])c2)cc1 ZINC000493637052 905177984 /nfs/dbraw/zinc/17/79/84/905177984.db2.gz URSBYVKULOKETB-QUCCMNQESA-N 1 1 408.502 4.076 20 5 HIBDMO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000493915370 905266342 /nfs/dbraw/zinc/26/63/42/905266342.db2.gz DLUVEDSQHYUPDN-PDSMFRHLSA-N 1 1 416.384 4.104 20 5 HIBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494129137 905473483 /nfs/dbraw/zinc/47/34/83/905473483.db2.gz WJDRGRPLQVOAOW-QUCCMNQESA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494129137 905473501 /nfs/dbraw/zinc/47/35/01/905473501.db2.gz WJDRGRPLQVOAOW-QUCCMNQESA-N 1 1 403.429 4.135 20 5 HIBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000512470515 921182826 /nfs/dbraw/zinc/18/28/26/921182826.db2.gz YWTXNBBCOYIEAZ-MRXNPFEDSA-N 1 1 401.532 4.452 20 5 HIBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000512521612 921212573 /nfs/dbraw/zinc/21/25/73/921212573.db2.gz HNZPAXAEEULDPT-AWEZNQCLSA-N 1 1 405.882 4.246 20 5 HIBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495104587 906243240 /nfs/dbraw/zinc/24/32/40/906243240.db2.gz YJNOTKOANHHQPN-ROUUACIJSA-N 1 1 411.502 4.024 20 5 HIBDMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000512573954 921245092 /nfs/dbraw/zinc/24/50/92/921245092.db2.gz PEYVTJBDYDWTID-UHFFFAOYSA-N 1 1 424.320 4.270 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512800656 921314144 /nfs/dbraw/zinc/31/41/44/921314144.db2.gz FVTJMOAWRPXHCS-KXBFYZLASA-N 1 1 419.428 4.144 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512800656 921314148 /nfs/dbraw/zinc/31/41/48/921314148.db2.gz FVTJMOAWRPXHCS-KXBFYZLASA-N 1 1 419.428 4.144 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1Cc1ccccc1 ZINC000498128863 907647807 /nfs/dbraw/zinc/64/78/07/907647807.db2.gz FQBXXEIKLQAIRG-HKUYNNGSSA-N 1 1 418.497 4.268 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000498141155 907663244 /nfs/dbraw/zinc/66/32/44/907663244.db2.gz VGWSGQZGZHMSNR-QFIPXVFZSA-N 1 1 411.527 4.467 20 5 HIBDMO Cc1c(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000499031442 908408961 /nfs/dbraw/zinc/40/89/61/908408961.db2.gz CUZTYEQVYICDRE-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO Cc1c(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000499031442 908408967 /nfs/dbraw/zinc/40/89/67/908408967.db2.gz CUZTYEQVYICDRE-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500846294 910121073 /nfs/dbraw/zinc/12/10/73/910121073.db2.gz YZDSQJYFKDOWFC-CRAIPNDOSA-N 1 1 422.510 4.284 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000501024451 910242889 /nfs/dbraw/zinc/24/28/89/910242889.db2.gz BYTAGSBDDYSVJP-JOCHJYFZSA-N 1 1 404.470 4.153 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000501024451 910242903 /nfs/dbraw/zinc/24/29/03/910242903.db2.gz BYTAGSBDDYSVJP-JOCHJYFZSA-N 1 1 404.470 4.153 20 5 HIBDMO Cc1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000502927631 911914145 /nfs/dbraw/zinc/91/41/45/911914145.db2.gz DELDURCUHMPXKM-OAHLLOKOSA-N 1 1 416.441 4.371 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1 ZINC000503076722 912048529 /nfs/dbraw/zinc/04/85/29/912048529.db2.gz UFGCGDKTMBUEST-NRFANRHFSA-N 1 1 407.449 4.261 20 5 HIBDMO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506433857 915036080 /nfs/dbraw/zinc/03/60/80/915036080.db2.gz PHXAPJKWODISNG-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506433857 915036089 /nfs/dbraw/zinc/03/60/89/915036089.db2.gz PHXAPJKWODISNG-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506472722 915072374 /nfs/dbraw/zinc/07/23/74/915072374.db2.gz GSEIMUXDKHILOF-KURKYZTESA-N 1 1 413.522 4.292 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)c2c(c1)COCO2 ZINC000506932806 915736003 /nfs/dbraw/zinc/73/60/03/915736003.db2.gz QUZXEVIIYMRVHV-UHFFFAOYSA-N 1 1 419.275 4.393 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC[C@H]2C(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000507146604 915889283 /nfs/dbraw/zinc/88/92/83/915889283.db2.gz WMHCTKAFTWCCGP-IBGZPJMESA-N 1 1 416.522 4.198 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc3ccc(Br)cn23)C2CC2)cc1 ZINC000507156516 915895890 /nfs/dbraw/zinc/89/58/90/915895890.db2.gz SVFIPPMLCASRKU-UHFFFAOYSA-N 1 1 401.264 4.170 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc3ccc(Br)cn23)C2CC2)cc1 ZINC000507156516 915895897 /nfs/dbraw/zinc/89/58/97/915895897.db2.gz SVFIPPMLCASRKU-UHFFFAOYSA-N 1 1 401.264 4.170 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCCc2cc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000507164781 915903530 /nfs/dbraw/zinc/90/35/30/915903530.db2.gz LBNWDIVZGZCTKZ-KRWDZBQOSA-N 1 1 422.485 4.450 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000507254796 916014854 /nfs/dbraw/zinc/01/48/54/916014854.db2.gz XEVRODLVMWGQMM-RYUDHWBXSA-N 1 1 424.270 4.483 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)c1 ZINC000508042989 916872414 /nfs/dbraw/zinc/87/24/14/916872414.db2.gz SDMPOTINOOPNCX-QGZVFWFLSA-N 1 1 400.385 4.270 20 5 HIBDMO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570288 917343070 /nfs/dbraw/zinc/34/30/70/917343070.db2.gz PDEVIYCQJJSYRV-MGPUTAFESA-N 1 1 421.419 4.227 20 5 HIBDMO CCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000509186519 917895233 /nfs/dbraw/zinc/89/52/33/917895233.db2.gz RDSSFNBXKORUHY-IBGZPJMESA-N 1 1 411.502 4.120 20 5 HIBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000509346895 918011386 /nfs/dbraw/zinc/01/13/86/918011386.db2.gz YOYCBOLMTADRTR-GOSISDBHSA-N 1 1 407.474 4.434 20 5 HIBDMO Cc1noc(C2CC[NH+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)n1 ZINC000509355857 918021491 /nfs/dbraw/zinc/02/14/91/918021491.db2.gz FEWUSLZNGNCJDI-UHFFFAOYSA-N 1 1 407.474 4.434 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@H+]1Cc1ccccc1 ZINC000510111823 918672851 /nfs/dbraw/zinc/67/28/51/918672851.db2.gz FMESCZDJZYSSRD-WMZOPIPTSA-N 1 1 407.470 4.372 20 5 HIBDMO CC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC)c(OC)c1 ZINC000510189525 918738773 /nfs/dbraw/zinc/73/87/73/918738773.db2.gz AJPYXJUSBSYXSU-CXAGYDPISA-N 1 1 412.446 4.464 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000510917973 919430918 /nfs/dbraw/zinc/43/09/18/919430918.db2.gz XJGDZLDGAJKFEU-LJQANCHMSA-N 1 1 424.545 4.211 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511248589 919848438 /nfs/dbraw/zinc/84/84/38/919848438.db2.gz JHHJDNYUAKTCFG-CVEARBPZSA-N 1 1 405.564 4.480 20 5 HIBDMO COc1cc(C[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000511639465 920303292 /nfs/dbraw/zinc/30/32/92/920303292.db2.gz GSJBBHOXGVTKFG-IBGZPJMESA-N 1 1 400.475 4.183 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000511639465 920303311 /nfs/dbraw/zinc/30/33/11/920303311.db2.gz GSJBBHOXGVTKFG-IBGZPJMESA-N 1 1 400.475 4.183 20 5 HIBDMO C[C@H]1C[C@@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@H+]1Cc1ccccc1 ZINC000511642883 920307909 /nfs/dbraw/zinc/30/79/09/920307909.db2.gz KNESGAHHTBJAHX-FUHWJXTLSA-N 1 1 408.502 4.192 20 5 HIBDMO Cn1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511646492 920314957 /nfs/dbraw/zinc/31/49/57/920314957.db2.gz HHZMZDUMXLTCIX-JOCHJYFZSA-N 1 1 406.486 4.177 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)o2)c1 ZINC000511765089 920449664 /nfs/dbraw/zinc/44/96/64/920449664.db2.gz LXZCGXIRKLNRFL-VSKRKVRLSA-N 1 1 419.481 4.297 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCN(c4nccs4)CC3)s2)cc1 ZINC000511765079 920449926 /nfs/dbraw/zinc/44/99/26/920449926.db2.gz LSRLCGCLRBMTMV-UHFFFAOYSA-N 1 1 400.529 4.492 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513702169 922023022 /nfs/dbraw/zinc/02/30/22/922023022.db2.gz FKQUGWJPJULAPV-SFHVURJKSA-N 1 1 420.391 4.149 20 5 HIBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000514117499 922449754 /nfs/dbraw/zinc/44/97/54/922449754.db2.gz XIHBGHOYADULJN-LJQANCHMSA-N 1 1 413.474 4.086 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000515444226 923105309 /nfs/dbraw/zinc/10/53/09/923105309.db2.gz QQSUKMGHVFDXOM-HSZRJFAPSA-N 1 1 423.444 4.450 20 5 HIBDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000515502547 923137326 /nfs/dbraw/zinc/13/73/26/923137326.db2.gz AGAAQRQMTFZFJL-MRXNPFEDSA-N 1 1 422.428 4.421 20 5 HIBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000515808694 923364144 /nfs/dbraw/zinc/36/41/44/923364144.db2.gz DBQWPVLCWVDDJV-IBGZPJMESA-N 1 1 412.877 4.296 20 5 HIBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000516386115 923705477 /nfs/dbraw/zinc/70/54/77/923705477.db2.gz BMEWXBQLLTWBSB-IBGZPJMESA-N 1 1 424.545 4.449 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)[NH+]1CCOCC1 ZINC000517688756 926792967 /nfs/dbraw/zinc/79/29/67/926792967.db2.gz BAMSTLAHXGRLHH-AWEZNQCLSA-N 1 1 411.483 4.455 20 5 HIBDMO COc1c(C)cnc(CN2CCC([N@@H+](C)C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000518440794 927273192 /nfs/dbraw/zinc/27/31/92/927273192.db2.gz ASONLCRGDRPXMW-CLFYSBASSA-N 1 1 424.545 4.225 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)c2c(c1)COCO2 ZINC000519000736 927682792 /nfs/dbraw/zinc/68/27/92/927682792.db2.gz RIWYNLHAZJCYLC-HNNXBMFYSA-N 1 1 406.841 4.461 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)c2c(c1)COCO2 ZINC000519000736 927682799 /nfs/dbraw/zinc/68/27/99/927682799.db2.gz RIWYNLHAZJCYLC-HNNXBMFYSA-N 1 1 406.841 4.461 20 5 HIBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000520660172 928705989 /nfs/dbraw/zinc/70/59/89/928705989.db2.gz IAPOZRDKGWPLKD-OAHLLOKOSA-N 1 1 405.882 4.246 20 5 HIBDMO CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000521195716 929055381 /nfs/dbraw/zinc/05/53/81/929055381.db2.gz QEBXMILOORBTCU-GOSISDBHSA-N 1 1 412.408 4.264 20 5 HIBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000521248856 929080657 /nfs/dbraw/zinc/08/06/57/929080657.db2.gz DXCHDJCIOWMYQA-RHSMWYFYSA-N 1 1 415.877 4.027 20 5 HIBDMO COc1cc(C[NH+]2CCC(OCCC(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000521425024 929216142 /nfs/dbraw/zinc/21/61/42/929216142.db2.gz DIQQOSPUWQOGBJ-UHFFFAOYSA-N 1 1 402.438 4.232 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)C1 ZINC000521552019 929291663 /nfs/dbraw/zinc/29/16/63/929291663.db2.gz QYUUEKCDKJJIOZ-KRWDZBQOSA-N 1 1 406.486 4.420 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000525551267 930319862 /nfs/dbraw/zinc/31/98/62/930319862.db2.gz HMBURRSNEHXWHI-FOIQADDNSA-N 1 1 414.531 4.044 20 5 HIBDMO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000525759652 930434365 /nfs/dbraw/zinc/43/43/65/930434365.db2.gz HLCRAGDCLUXTFI-QGZVFWFLSA-N 1 1 406.866 4.104 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000526120840 930539520 /nfs/dbraw/zinc/53/95/20/930539520.db2.gz YXSAFOBCLUNQTH-SFHVURJKSA-N 1 1 406.866 4.014 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ncccc2F)cc1 ZINC000527239956 930618819 /nfs/dbraw/zinc/61/88/19/930618819.db2.gz TUMZBQUWGJVORQ-UHFFFAOYSA-N 1 1 403.417 4.271 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCN(Cc4ccc(F)cc4)CC3)o2)c1 ZINC000532900180 931685575 /nfs/dbraw/zinc/68/55/75/931685575.db2.gz NMTMXIQVDFXLLK-UHFFFAOYSA-N 1 1 424.476 4.139 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000532981423 931724693 /nfs/dbraw/zinc/72/46/93/931724693.db2.gz IDVMIDWLAZYBBY-HIFRSBDPSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000532981423 931724701 /nfs/dbraw/zinc/72/47/01/931724701.db2.gz IDVMIDWLAZYBBY-HIFRSBDPSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000533028091 931745186 /nfs/dbraw/zinc/74/51/86/931745186.db2.gz FYZAILHRVMQKHP-UHFFFAOYSA-N 1 1 420.469 4.203 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000533030745 931746399 /nfs/dbraw/zinc/74/63/99/931746399.db2.gz BJZSIFBSPATGPD-ZDUSSCGKSA-N 1 1 403.866 4.421 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000533030745 931746407 /nfs/dbraw/zinc/74/64/07/931746407.db2.gz BJZSIFBSPATGPD-ZDUSSCGKSA-N 1 1 403.866 4.421 20 5 HIBDMO Cc1ccccc1[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533251377 931819097 /nfs/dbraw/zinc/81/90/97/931819097.db2.gz NUBWHPUTKNXXOU-CYBMUJFWSA-N 1 1 406.280 4.297 20 5 HIBDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533251377 931819098 /nfs/dbraw/zinc/81/90/98/931819098.db2.gz NUBWHPUTKNXXOU-CYBMUJFWSA-N 1 1 406.280 4.297 20 5 HIBDMO Cc1nc(C2([NH2+]CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCCCCC2)no1 ZINC000533493166 931884582 /nfs/dbraw/zinc/88/45/82/931884582.db2.gz UGYSPSLSHBXMQR-UHFFFAOYSA-N 1 1 411.462 4.323 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000533956593 932131210 /nfs/dbraw/zinc/13/12/10/932131210.db2.gz OGZPWVWGSNUTAK-KRWDZBQOSA-N 1 1 403.866 4.039 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000534123592 932289586 /nfs/dbraw/zinc/28/95/86/932289586.db2.gz JFLKASVSWNBIMB-RBUKOAKNSA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000534123592 932289596 /nfs/dbraw/zinc/28/95/96/932289596.db2.gz JFLKASVSWNBIMB-RBUKOAKNSA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000534123590 932290113 /nfs/dbraw/zinc/29/01/13/932290113.db2.gz JFLKASVSWNBIMB-MOPGFXCFSA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000534123590 932290122 /nfs/dbraw/zinc/29/01/22/932290122.db2.gz JFLKASVSWNBIMB-MOPGFXCFSA-N 1 1 401.894 4.087 20 5 HIBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000534225173 932344349 /nfs/dbraw/zinc/34/43/49/932344349.db2.gz AZNXZWSOLMSEBF-IFXJQAMLSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000534225173 932344356 /nfs/dbraw/zinc/34/43/56/932344356.db2.gz AZNXZWSOLMSEBF-IFXJQAMLSA-N 1 1 405.857 4.119 20 5 HIBDMO CCc1ccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1[N+](=O)[O-] ZINC000534231363 932351429 /nfs/dbraw/zinc/35/14/29/932351429.db2.gz LETQBCJNFADOBN-UHFFFAOYSA-N 1 1 407.514 4.286 20 5 HIBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000534870976 932816494 /nfs/dbraw/zinc/81/64/94/932816494.db2.gz SKQXMRYJSXUUON-NRFANRHFSA-N 1 1 415.852 4.270 20 5 HIBDMO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000535503127 933191565 /nfs/dbraw/zinc/19/15/65/933191565.db2.gz COMUPMKDELRYOM-FASAQXTFSA-N 1 1 402.882 4.054 20 5 HIBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000535503127 933191584 /nfs/dbraw/zinc/19/15/84/933191584.db2.gz COMUPMKDELRYOM-FASAQXTFSA-N 1 1 402.882 4.054 20 5 HIBDMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCN(c2ccccn2)CC1 ZINC000535556529 933240855 /nfs/dbraw/zinc/24/08/55/933240855.db2.gz VRVGIZSYUREMQV-UHFFFAOYSA-N 1 1 421.501 4.383 20 5 HIBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535668901 933314539 /nfs/dbraw/zinc/31/45/39/933314539.db2.gz NKDRPVFEZWEACT-UHFFFAOYSA-N 1 1 413.905 4.377 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535800196 933395167 /nfs/dbraw/zinc/39/51/67/933395167.db2.gz VHCKWCQPXGZDKE-FPOVZHCZSA-N 1 1 412.486 4.183 20 5 HIBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618780 938335339 /nfs/dbraw/zinc/33/53/39/938335339.db2.gz KQIDHCUAWDDSHS-UTKZUKDTSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618780 938335345 /nfs/dbraw/zinc/33/53/45/938335345.db2.gz KQIDHCUAWDDSHS-UTKZUKDTSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618780 938335348 /nfs/dbraw/zinc/33/53/48/938335348.db2.gz KQIDHCUAWDDSHS-UTKZUKDTSA-N 1 1 413.518 4.097 20 5 HIBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1)N1CCCC1 ZINC000537627703 938339193 /nfs/dbraw/zinc/33/91/93/938339193.db2.gz BAASRQOWFYPKHC-OAHLLOKOSA-N 1 1 417.893 4.343 20 5 HIBDMO C[NH+](C)CC(=O)Nc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000537729146 938364523 /nfs/dbraw/zinc/36/45/23/938364523.db2.gz DMYSOSGTTASKBT-UHFFFAOYSA-N 1 1 410.499 4.436 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000537937966 938423889 /nfs/dbraw/zinc/42/38/89/938423889.db2.gz HCBORWFYJMECHY-RVHYNSKXSA-N 1 1 403.910 4.279 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538070752 938494057 /nfs/dbraw/zinc/49/40/57/938494057.db2.gz RKHYOHPAOZEFOW-SFHVURJKSA-N 1 1 404.555 4.445 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538187949 938543906 /nfs/dbraw/zinc/54/39/06/938543906.db2.gz KCZDTSGKMQOIMB-GJZGRUSLSA-N 1 1 404.430 4.242 20 5 HIBDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(C)C)ccc2NC1=O ZINC000538259022 938576799 /nfs/dbraw/zinc/57/67/99/938576799.db2.gz UPFXSGJTZCDMSJ-AUUYWEPGSA-N 1 1 413.474 4.342 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538602824 938659420 /nfs/dbraw/zinc/65/94/20/938659420.db2.gz ZRBVCSKLHYCIAW-CTNGQTDRSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538602824 938659422 /nfs/dbraw/zinc/65/94/22/938659422.db2.gz ZRBVCSKLHYCIAW-CTNGQTDRSA-N 1 1 419.884 4.270 20 5 HIBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCN(c2ccccn2)CC1 ZINC000538718572 938690250 /nfs/dbraw/zinc/69/02/50/938690250.db2.gz ABENQORJYLKPJR-UHFFFAOYSA-N 1 1 420.460 4.330 20 5 HIBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000538729836 938694699 /nfs/dbraw/zinc/69/46/99/938694699.db2.gz ZFIOTUGRPGUZMO-LJQANCHMSA-N 1 1 400.475 4.041 20 5 HIBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538738496 938697701 /nfs/dbraw/zinc/69/77/01/938697701.db2.gz YYAAETUWQZDKAA-UHFFFAOYSA-N 1 1 421.501 4.073 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538738496 938697708 /nfs/dbraw/zinc/69/77/08/938697708.db2.gz YYAAETUWQZDKAA-UHFFFAOYSA-N 1 1 421.501 4.073 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000538810446 938718701 /nfs/dbraw/zinc/71/87/01/938718701.db2.gz OAPCGRPLQMYBIK-UHFFFAOYSA-N 1 1 418.877 4.422 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000538810446 938718703 /nfs/dbraw/zinc/71/87/03/938718703.db2.gz OAPCGRPLQMYBIK-UHFFFAOYSA-N 1 1 418.877 4.422 20 5 HIBDMO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000539097785 938802534 /nfs/dbraw/zinc/80/25/34/938802534.db2.gz YZXBJHXSHUHULZ-SFHVURJKSA-N 1 1 404.555 4.002 20 5 HIBDMO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539123854 938806498 /nfs/dbraw/zinc/80/64/98/938806498.db2.gz BQJONTMLBFJWLH-WIYYLYMNSA-N 1 1 419.884 4.190 20 5 HIBDMO CC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539123854 938806500 /nfs/dbraw/zinc/80/65/00/938806500.db2.gz BQJONTMLBFJWLH-WIYYLYMNSA-N 1 1 419.884 4.190 20 5 HIBDMO C[C@H]([NH2+]CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000539276176 938831813 /nfs/dbraw/zinc/83/18/13/938831813.db2.gz DQDYCANKQPPZAV-ZDUSSCGKSA-N 1 1 414.462 4.071 20 5 HIBDMO CN(C(=O)C[NH2+][C@H](COCc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000539361321 938848419 /nfs/dbraw/zinc/84/84/19/938848419.db2.gz RNGLKYSPTPDRQO-HSZRJFAPSA-N 1 1 419.481 4.105 20 5 HIBDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([S@](C)=O)cc1 ZINC000539529885 938874039 /nfs/dbraw/zinc/87/40/39/938874039.db2.gz FIERJQICHSXNTR-CEXHIMGSSA-N 1 1 401.513 4.307 20 5 HIBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000539831122 938951274 /nfs/dbraw/zinc/95/12/74/938951274.db2.gz TXUOBGSPZSDYLP-LJQANCHMSA-N 1 1 400.475 4.041 20 5 HIBDMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000540347828 939202156 /nfs/dbraw/zinc/20/21/56/939202156.db2.gz YIRKFVXPGGOMOQ-QZTJIDSGSA-N 1 1 410.518 4.387 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000540391467 939230304 /nfs/dbraw/zinc/23/03/04/939230304.db2.gz XIWTXTDUMSBATP-INIZCTEOSA-N 1 1 401.532 4.346 20 5 HIBDMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1)C[C@H]1CCCCO1 ZINC000540419562 939241903 /nfs/dbraw/zinc/24/19/03/939241903.db2.gz IVWNETOOSYUKLR-HXUWFJFHSA-N 1 1 412.490 4.022 20 5 HIBDMO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(F)c1F ZINC000540430952 939246322 /nfs/dbraw/zinc/24/63/22/939246322.db2.gz VUZWTVHOFRDEDF-NSHDSACASA-N 1 1 418.425 4.286 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000540447034 939253452 /nfs/dbraw/zinc/25/34/52/939253452.db2.gz URYXXXNWTYXRRM-QHCPKHFHSA-N 1 1 419.481 4.389 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000540511237 939282526 /nfs/dbraw/zinc/28/25/26/939282526.db2.gz MRQRCNLNDLTBRO-CALCHBBNSA-N 1 1 410.518 4.143 20 5 HIBDMO COc1ccc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541103978 939461577 /nfs/dbraw/zinc/46/15/77/939461577.db2.gz VJCRPNRQCDVGMD-SJLPKXTDSA-N 1 1 412.490 4.026 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000541263052 939488257 /nfs/dbraw/zinc/48/82/57/939488257.db2.gz VADFFENWOFMFBJ-MJGOQNOKSA-N 1 1 413.543 4.198 20 5 HIBDMO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541270947 939488602 /nfs/dbraw/zinc/48/86/02/939488602.db2.gz YTRSXHUWVNXIRP-ZIAGYGMSSA-N 1 1 411.955 4.110 20 5 HIBDMO CCc1ccc([C@H]([NH2+]CC(C)(C)N2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545560 939550150 /nfs/dbraw/zinc/55/01/50/939550150.db2.gz JSHOHVHWAVOKOU-JOCHJYFZSA-N 1 1 415.534 4.319 20 5 HIBDMO O=C(CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000542018262 939688066 /nfs/dbraw/zinc/68/80/66/939688066.db2.gz KVLNIWYMTDGUFP-SFHVURJKSA-N 1 1 423.391 4.016 20 5 HIBDMO O=C(CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000542018262 939688072 /nfs/dbraw/zinc/68/80/72/939688072.db2.gz KVLNIWYMTDGUFP-SFHVURJKSA-N 1 1 423.391 4.016 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000542122396 939721299 /nfs/dbraw/zinc/72/12/99/939721299.db2.gz BHFRFJDLDLAQTR-LJQANCHMSA-N 1 1 424.888 4.464 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000542195049 939752517 /nfs/dbraw/zinc/75/25/17/939752517.db2.gz QXPLNBXIEJIFKH-IBGZPJMESA-N 1 1 413.543 4.058 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000542212917 939758972 /nfs/dbraw/zinc/75/89/72/939758972.db2.gz SDAQQADMJLRTOM-JOCHJYFZSA-N 1 1 419.481 4.061 20 5 HIBDMO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542510619 939834784 /nfs/dbraw/zinc/83/47/84/939834784.db2.gz MAALXQQSRGDWLZ-JENIJYKNSA-N 1 1 413.493 4.349 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000542631487 939850454 /nfs/dbraw/zinc/85/04/54/939850454.db2.gz DIFONTBICBUCHS-RXVVDRJESA-N 1 1 415.465 4.223 20 5 HIBDMO C[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543455835 940068196 /nfs/dbraw/zinc/06/81/96/940068196.db2.gz FCVQTORWWGUURV-AOIWGVFYSA-N 1 1 413.493 4.254 20 5 HIBDMO C[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543455837 940068384 /nfs/dbraw/zinc/06/83/84/940068384.db2.gz FCVQTORWWGUURV-LNLFQRSKSA-N 1 1 413.493 4.254 20 5 HIBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543556584 940107758 /nfs/dbraw/zinc/10/77/58/940107758.db2.gz FXLNRXREVDVEGV-VQIMIIECSA-N 1 1 421.856 4.178 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](CCc4ccccc4)C3)o2)c1 ZINC000543557463 940107988 /nfs/dbraw/zinc/10/79/88/940107988.db2.gz RYQOJOURIIKWLZ-OAQYLSRUSA-N 1 1 407.470 4.126 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](CCc4ccccc4)C3)o2)c1 ZINC000543557463 940107992 /nfs/dbraw/zinc/10/79/92/940107992.db2.gz RYQOJOURIIKWLZ-OAQYLSRUSA-N 1 1 407.470 4.126 20 5 HIBDMO Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000543633237 940143359 /nfs/dbraw/zinc/14/33/59/940143359.db2.gz BQJNZKFRHHROHO-HSZRJFAPSA-N 1 1 424.522 4.494 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)Nc1cccc(F)c1 ZINC000543859254 940212887 /nfs/dbraw/zinc/21/28/87/940212887.db2.gz SAFHWADERFBYJD-AWEZNQCLSA-N 1 1 420.872 4.421 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)Nc1cccc(F)c1 ZINC000543859254 940212889 /nfs/dbraw/zinc/21/28/89/940212889.db2.gz SAFHWADERFBYJD-AWEZNQCLSA-N 1 1 420.872 4.421 20 5 HIBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)c21 ZINC000544394723 940410851 /nfs/dbraw/zinc/41/08/51/940410851.db2.gz RAMSRVBISQCEHK-UYAOXDASSA-N 1 1 403.486 4.029 20 5 HIBDMO CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545478278 940571486 /nfs/dbraw/zinc/57/14/86/940571486.db2.gz VFWOKPKZYITJOI-KRWDZBQOSA-N 1 1 421.419 4.350 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000545828724 940618321 /nfs/dbraw/zinc/61/83/21/940618321.db2.gz CQOGNZKXYABNIX-LIRRHRJNSA-N 1 1 419.522 4.272 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000548960426 941134410 /nfs/dbraw/zinc/13/44/10/941134410.db2.gz FTKNLFUGVFIIRT-HXUWFJFHSA-N 1 1 417.893 4.214 20 5 HIBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000549147074 941165405 /nfs/dbraw/zinc/16/54/05/941165405.db2.gz FLGRGCHWQZJATB-LJQANCHMSA-N 1 1 410.518 4.103 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000550970521 941388215 /nfs/dbraw/zinc/38/82/15/941388215.db2.gz MPIUOFPRSVZEAP-ICSRJNTNSA-N 1 1 409.530 4.384 20 5 HIBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551250604 941436077 /nfs/dbraw/zinc/43/60/77/941436077.db2.gz OSRPCQIVSZEOFG-INIZCTEOSA-N 1 1 421.419 4.208 20 5 HIBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)nc1 ZINC000551557703 941501067 /nfs/dbraw/zinc/50/10/67/941501067.db2.gz GYJHEKDMWFBPJL-OAHLLOKOSA-N 1 1 415.906 4.453 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCO[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552062048 941576938 /nfs/dbraw/zinc/57/69/38/941576938.db2.gz JIQBVMRYJHYIMM-XZOQPEGZSA-N 1 1 420.513 4.492 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552275828 941620535 /nfs/dbraw/zinc/62/05/35/941620535.db2.gz BLPKHYJTOGTSAK-GOSISDBHSA-N 1 1 420.391 4.149 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000552680033 941735889 /nfs/dbraw/zinc/73/58/89/941735889.db2.gz CCUQNXJAZNOSEC-HSZRJFAPSA-N 1 1 405.454 4.079 20 5 HIBDMO C[C@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000552922891 941803499 /nfs/dbraw/zinc/80/34/99/941803499.db2.gz YRMGUQRZOOTTGP-HNNXBMFYSA-N 1 1 420.444 4.434 20 5 HIBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554303078 942096165 /nfs/dbraw/zinc/09/61/65/942096165.db2.gz NDYSRSYYYLWBRL-RTBURBONSA-N 1 1 408.458 4.323 20 5 HIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554303078 942096177 /nfs/dbraw/zinc/09/61/77/942096177.db2.gz NDYSRSYYYLWBRL-RTBURBONSA-N 1 1 408.458 4.323 20 5 HIBDMO COc1cc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000556067770 942800953 /nfs/dbraw/zinc/80/09/53/942800953.db2.gz HMLAGPHTSUFWNS-GOSISDBHSA-N 1 1 410.417 4.054 20 5 HIBDMO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000556474411 942879315 /nfs/dbraw/zinc/87/93/15/942879315.db2.gz IHLNDBZTYUYGIA-CQSZACIVSA-N 1 1 409.408 4.254 20 5 HIBDMO Cn1ccnc1[C@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556867882 942943009 /nfs/dbraw/zinc/94/30/09/942943009.db2.gz BLWKRLXHDOMTCE-FGZHOGPDSA-N 1 1 411.550 4.052 20 5 HIBDMO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556886596 942950773 /nfs/dbraw/zinc/95/07/73/942950773.db2.gz WZZPAERILZCAHZ-SIKLNZKXSA-N 1 1 423.492 4.124 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)Oc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000556915745 942963977 /nfs/dbraw/zinc/96/39/77/942963977.db2.gz UBVIBQWSAGYOCK-IBGZPJMESA-N 1 1 416.428 4.143 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000558912055 943743511 /nfs/dbraw/zinc/74/35/11/943743511.db2.gz FTKDGZCLGZZHEW-INIZCTEOSA-N 1 1 407.474 4.034 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000559984722 944111388 /nfs/dbraw/zinc/11/13/88/944111388.db2.gz VRGSCIKEMJLYJK-KXBFYZLASA-N 1 1 401.532 4.133 20 5 HIBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000560158063 944182431 /nfs/dbraw/zinc/18/24/31/944182431.db2.gz IXCGTONCBPOFPC-UHFFFAOYSA-N 1 1 408.483 4.209 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564422473 945574462 /nfs/dbraw/zinc/57/44/62/945574462.db2.gz AUKDMWFCFOIJRO-WOJBJXKFSA-N 1 1 408.502 4.197 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000566762215 946091336 /nfs/dbraw/zinc/09/13/36/946091336.db2.gz YQQUJLCRTOHTAG-LLVKDONJSA-N 1 1 410.243 4.094 20 5 HIBDMO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328280 946509223 /nfs/dbraw/zinc/50/92/23/946509223.db2.gz OALMDMDULZAEER-MBSDFSHPSA-N 1 1 419.529 4.220 20 5 HIBDMO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328280 946509230 /nfs/dbraw/zinc/50/92/30/946509230.db2.gz OALMDMDULZAEER-MBSDFSHPSA-N 1 1 419.529 4.220 20 5 HIBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328280 946509239 /nfs/dbraw/zinc/50/92/39/946509239.db2.gz OALMDMDULZAEER-MBSDFSHPSA-N 1 1 419.529 4.220 20 5 HIBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000568800598 946701128 /nfs/dbraw/zinc/70/11/28/946701128.db2.gz OFHILJMKWGVCGI-HSZRJFAPSA-N 1 1 414.502 4.167 20 5 HIBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1ccccc1Cl ZINC000570592632 947306207 /nfs/dbraw/zinc/30/62/07/947306207.db2.gz CTTVOOYHXHMCJW-SFHVURJKSA-N 1 1 411.845 4.403 20 5 HIBDMO COc1ccc(C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C(C)(C)C)cc1 ZINC000571201306 947542949 /nfs/dbraw/zinc/54/29/49/947542949.db2.gz KIPGLCRFQAJNLZ-UHFFFAOYSA-N 1 1 415.490 4.241 20 5 HIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573371703 948171020 /nfs/dbraw/zinc/17/10/20/948171020.db2.gz DFZVNZDKEQJMIG-QHCPKHFHSA-N 1 1 408.502 4.287 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574108770 948366036 /nfs/dbraw/zinc/36/60/36/948366036.db2.gz VVZBPMZWZILHEC-CYFREDJKSA-N 1 1 422.529 4.272 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574560566 948473840 /nfs/dbraw/zinc/47/38/40/948473840.db2.gz KHBQKWDQSDJUDW-VQTJNVASSA-N 1 1 408.502 4.197 20 5 HIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627853 719068317 /nfs/dbraw/zinc/06/83/17/719068317.db2.gz RJBWPXXTHXSERM-HRAATJIYSA-N 1 1 423.904 4.292 20 5 HIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627856 719068768 /nfs/dbraw/zinc/06/87/68/719068768.db2.gz RJBWPXXTHXSERM-KKSFZXQISA-N 1 1 423.904 4.292 20 5 HIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164618517 719074865 /nfs/dbraw/zinc/07/48/65/719074865.db2.gz AZJJVKYEHZFTDL-GOEBONIOSA-N 1 1 407.301 4.397 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)c(C)cc2[N+](=O)[O-])CC3)cs1 ZINC001164692607 719806685 /nfs/dbraw/zinc/80/66/85/719806685.db2.gz LDAFVOQBUIRLEJ-UHFFFAOYSA-N 1 1 421.954 4.352 20 5 HIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164696285 719897161 /nfs/dbraw/zinc/89/71/61/719897161.db2.gz FOOYVMVNAYYUAQ-UHFFFAOYSA-N 1 1 424.526 4.076 20 5 HIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165020535 721808421 /nfs/dbraw/zinc/80/84/21/721808421.db2.gz FYIRSWNVTBQURU-IEZWGBDMSA-N 1 1 415.925 4.084 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001165027356 721810259 /nfs/dbraw/zinc/81/02/59/721810259.db2.gz UJIWKYVKKWDXPU-CEWLAPEOSA-N 1 1 417.513 4.275 20 5 HIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994845 722197039 /nfs/dbraw/zinc/19/70/39/722197039.db2.gz QFCCOLIOZBRWIN-FQEVSTJZSA-N 1 1 404.873 4.336 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000436319509 861621791 /nfs/dbraw/zinc/62/17/91/861621791.db2.gz DTAGSZXCIGZEKS-UHFFFAOYSA-N 1 1 416.350 4.363 20 5 HIBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000436322885 861626602 /nfs/dbraw/zinc/62/66/02/861626602.db2.gz PFXQBKWXBJCTRP-QGZVFWFLSA-N 1 1 409.408 4.182 20 5 HIBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436385942 861729913 /nfs/dbraw/zinc/72/99/13/861729913.db2.gz IPXBXJTZJMKXAO-UHFFFAOYSA-N 1 1 408.424 4.357 20 5 HIBDMO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000025536234 846994291 /nfs/dbraw/zinc/99/42/91/846994291.db2.gz LQJDPBUTABITOV-FQEVSTJZSA-N 1 1 401.894 4.061 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000027498345 847313990 /nfs/dbraw/zinc/31/39/90/847313990.db2.gz JDRJPOTXRVORKV-MAUKXSAKSA-N 1 1 403.504 4.012 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000042132515 848290621 /nfs/dbraw/zinc/29/06/21/848290621.db2.gz OSXSQVIVLVVSQU-HOTGVXAUSA-N 1 1 408.458 4.251 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000042132515 848290625 /nfs/dbraw/zinc/29/06/25/848290625.db2.gz OSXSQVIVLVVSQU-HOTGVXAUSA-N 1 1 408.458 4.251 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C1 ZINC000058254592 850788205 /nfs/dbraw/zinc/78/82/05/850788205.db2.gz LSMOGMRAXIFPPQ-MRXNPFEDSA-N 1 1 406.486 4.238 20 5 HIBDMO C[N@@H+](Cc1ccccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000060611668 851166219 /nfs/dbraw/zinc/16/62/19/851166219.db2.gz FLOIVRXLSKCCME-UHFFFAOYSA-N 1 1 410.518 4.359 20 5 HIBDMO CC(C)NC(=O)c1ccc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000064550875 851927772 /nfs/dbraw/zinc/92/77/72/851927772.db2.gz QLRNEHNJSXQZSC-MRXNPFEDSA-N 1 1 416.547 4.119 20 5 HIBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000065881400 852300903 /nfs/dbraw/zinc/30/09/03/852300903.db2.gz WFUYKPGCXKKJNU-UHFFFAOYSA-N 1 1 424.545 4.213 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000096993956 852569954 /nfs/dbraw/zinc/56/99/54/852569954.db2.gz TYLACGVNFXIDKF-CQSZACIVSA-N 1 1 405.380 4.036 20 5 HIBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000097570391 852632541 /nfs/dbraw/zinc/63/25/41/852632541.db2.gz BEXAPGLEHRINMH-UHFFFAOYSA-N 1 1 401.894 4.029 20 5 HIBDMO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000108468175 852853776 /nfs/dbraw/zinc/85/37/76/852853776.db2.gz VOCSXHCQMTULKK-MRXNPFEDSA-N 1 1 416.909 4.227 20 5 HIBDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000108468175 852853784 /nfs/dbraw/zinc/85/37/84/852853784.db2.gz VOCSXHCQMTULKK-MRXNPFEDSA-N 1 1 416.909 4.227 20 5 HIBDMO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)CC3)c2c1 ZINC000108971833 852901668 /nfs/dbraw/zinc/90/16/68/852901668.db2.gz IGWHIFSVSLQJIH-UHFFFAOYSA-N 1 1 422.485 4.211 20 5 HIBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000115866492 853268962 /nfs/dbraw/zinc/26/89/62/853268962.db2.gz CSQAMQSALDLEKD-UHFFFAOYSA-N 1 1 411.502 4.298 20 5 HIBDMO Cc1ccccc1C[N@@H+]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000116758893 853332306 /nfs/dbraw/zinc/33/23/06/853332306.db2.gz KZCRAKMSCJGCCV-SFHVURJKSA-N 1 1 421.501 4.222 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140149231 853435526 /nfs/dbraw/zinc/43/55/26/853435526.db2.gz VCTLPWFBEALWCN-CVEARBPZSA-N 1 1 419.572 4.165 20 5 HIBDMO CCC[N@H+]1CC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236810824 853926001 /nfs/dbraw/zinc/92/60/01/853926001.db2.gz VAYXDKWUDGUHPO-CQSZACIVSA-N 1 1 422.323 4.439 20 5 HIBDMO COc1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000237210529 853983507 /nfs/dbraw/zinc/98/35/07/853983507.db2.gz GDIHHICSVLMDBF-UHFFFAOYSA-N 1 1 417.206 4.257 20 5 HIBDMO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NC(C)(C)C ZINC000237419872 854028516 /nfs/dbraw/zinc/02/85/16/854028516.db2.gz WEJRLKDHWWELJW-LLVKDONJSA-N 1 1 424.295 4.010 20 5 HIBDMO O=C1CCCN1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000237692828 854077048 /nfs/dbraw/zinc/07/70/48/854077048.db2.gz FIPLDASPKHKAGK-GOSISDBHSA-N 1 1 407.392 4.067 20 5 HIBDMO O=C1CCCN1Cc1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000238064222 854140015 /nfs/dbraw/zinc/14/00/15/854140015.db2.gz NBDQQYSZEBYSSG-UHFFFAOYSA-N 1 1 422.510 4.131 20 5 HIBDMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000437288226 862542196 /nfs/dbraw/zinc/54/21/96/862542196.db2.gz MMFHUBDZQRBHCX-INIZCTEOSA-N 1 1 405.376 4.238 20 5 HIBDMO Cc1cnc(N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000301464302 854400456 /nfs/dbraw/zinc/40/04/56/854400456.db2.gz WGVLCBKCSPGQRT-UHFFFAOYSA-N 1 1 408.424 4.418 20 5 HIBDMO C[N@@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301856413 854477572 /nfs/dbraw/zinc/47/75/72/854477572.db2.gz RKSONMWRNZVUQG-YWZLYKJASA-N 1 1 418.856 4.129 20 5 HIBDMO C[N@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301856413 854477577 /nfs/dbraw/zinc/47/75/77/854477577.db2.gz RKSONMWRNZVUQG-YWZLYKJASA-N 1 1 418.856 4.129 20 5 HIBDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000303351215 854887349 /nfs/dbraw/zinc/88/73/49/854887349.db2.gz YKFIXKFALDPQTC-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1)[NH+]1CCOCC1 ZINC000303461012 854960881 /nfs/dbraw/zinc/96/08/81/854960881.db2.gz LNJHSQNDBCTUEX-ZDUSSCGKSA-N 1 1 404.854 4.285 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000303680512 855128858 /nfs/dbraw/zinc/12/88/58/855128858.db2.gz RQUMMTKYMQJYSA-IBGZPJMESA-N 1 1 415.515 4.031 20 5 HIBDMO COCC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)Cc1scnc1C ZINC000426562669 856349798 /nfs/dbraw/zinc/34/97/98/856349798.db2.gz URYGAWJZEGLIID-UHFFFAOYSA-N 1 1 417.487 4.277 20 5 HIBDMO COCC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)Cc1scnc1C ZINC000426562669 856349808 /nfs/dbraw/zinc/34/98/08/856349808.db2.gz URYGAWJZEGLIID-UHFFFAOYSA-N 1 1 417.487 4.277 20 5 HIBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000428467774 857212781 /nfs/dbraw/zinc/21/27/81/857212781.db2.gz AZPSCDKIQUOGFY-FGZHOGPDSA-N 1 1 406.486 4.183 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c2c(c1)COCO2 ZINC000429144087 857530380 /nfs/dbraw/zinc/53/03/80/857530380.db2.gz TXGSYBJSTQFICG-SFHVURJKSA-N 1 1 406.891 4.481 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c2c(c1)COCO2 ZINC000429144087 857530384 /nfs/dbraw/zinc/53/03/84/857530384.db2.gz TXGSYBJSTQFICG-SFHVURJKSA-N 1 1 406.891 4.481 20 5 HIBDMO CC(C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cc(C(F)(F)F)on1 ZINC000429262850 857580463 /nfs/dbraw/zinc/58/04/63/857580463.db2.gz KGVYAGBFZFGFKI-UHFFFAOYSA-N 1 1 410.352 4.324 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000430194920 858076819 /nfs/dbraw/zinc/07/68/19/858076819.db2.gz LJNQYNYIYDGTQG-MRXNPFEDSA-N 1 1 412.421 4.172 20 5 HIBDMO Cn1cc(C[N@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccc(Cl)cc2)cn1 ZINC000430264355 858101931 /nfs/dbraw/zinc/10/19/31/858101931.db2.gz AUWKZZUMIXOYNS-UHFFFAOYSA-N 1 1 400.866 4.063 20 5 HIBDMO Cn1cc(C[N@@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccc(Cl)cc2)cn1 ZINC000430264355 858101934 /nfs/dbraw/zinc/10/19/34/858101934.db2.gz AUWKZZUMIXOYNS-UHFFFAOYSA-N 1 1 400.866 4.063 20 5 HIBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C[C@H](C)O2 ZINC000430765869 858295954 /nfs/dbraw/zinc/29/59/54/858295954.db2.gz TVCZTNACTANBOB-VWKPWSFCSA-N 1 1 402.516 4.482 20 5 HIBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000430864288 858342761 /nfs/dbraw/zinc/34/27/61/858342761.db2.gz JYDFNOPJSXXPRE-OXJNMPFZSA-N 1 1 411.527 4.302 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430937090 858375453 /nfs/dbraw/zinc/37/54/53/858375453.db2.gz ZBGKRDFMUZPVNF-DYESRHJHSA-N 1 1 422.485 4.430 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430937090 858375463 /nfs/dbraw/zinc/37/54/63/858375463.db2.gz ZBGKRDFMUZPVNF-DYESRHJHSA-N 1 1 422.485 4.430 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431945867 858881981 /nfs/dbraw/zinc/88/19/81/858881981.db2.gz LFZPHWZFADGZNU-CABCVRRESA-N 1 1 424.339 4.084 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432039308 858944863 /nfs/dbraw/zinc/94/48/63/858944863.db2.gz VGTSRZOIYAMPJG-HUUCEWRRSA-N 1 1 410.499 4.447 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000467562479 881386787 /nfs/dbraw/zinc/38/67/87/881386787.db2.gz MCBBMCVMHHUANS-KRWDZBQOSA-N 1 1 411.289 4.004 20 5 HIBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000434317332 860278430 /nfs/dbraw/zinc/27/84/30/860278430.db2.gz PSRRUEVVZFCCQF-LJQANCHMSA-N 1 1 419.485 4.107 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000434856729 860525498 /nfs/dbraw/zinc/52/54/98/860525498.db2.gz UKEBTFWBWQPWGK-AWEZNQCLSA-N 1 1 423.404 4.305 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434903880 860547400 /nfs/dbraw/zinc/54/74/00/860547400.db2.gz CHOUIOCNAMZAPQ-HNNXBMFYSA-N 1 1 400.479 4.377 20 5 HIBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000434992872 860589193 /nfs/dbraw/zinc/58/91/93/860589193.db2.gz VOUSTXBWWOPFOT-KRWDZBQOSA-N 1 1 417.893 4.389 20 5 HIBDMO Cc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435292324 860722246 /nfs/dbraw/zinc/72/22/46/860722246.db2.gz XSMCYZMXVKXVIH-IBGZPJMESA-N 1 1 419.485 4.107 20 5 HIBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467807039 881630797 /nfs/dbraw/zinc/63/07/97/881630797.db2.gz LQUMCSPCKYKSLB-ACJLOTCBSA-N 1 1 415.877 4.253 20 5 HIBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467807041 881631106 /nfs/dbraw/zinc/63/11/06/881631106.db2.gz LQUMCSPCKYKSLB-SCLBCKFNSA-N 1 1 415.877 4.253 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437999009 863361425 /nfs/dbraw/zinc/36/14/25/863361425.db2.gz NSKMAJRXMMMBOC-XMSQKQJNSA-N 1 1 422.529 4.179 20 5 HIBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)cc1 ZINC000438116904 863533110 /nfs/dbraw/zinc/53/31/10/863533110.db2.gz NYJLFRRMRCDCRW-UHFFFAOYSA-N 1 1 410.449 4.022 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000438952839 864423964 /nfs/dbraw/zinc/42/39/64/864423964.db2.gz NFUUUOGNVUWGLE-LJQANCHMSA-N 1 1 401.894 4.197 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000439155392 864587691 /nfs/dbraw/zinc/58/76/91/864587691.db2.gz PMMMBFLSTRMZQP-YJBOKZPZSA-N 1 1 401.894 4.197 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000439955323 865247938 /nfs/dbraw/zinc/24/79/38/865247938.db2.gz ZCOZLNMDQBEZSK-UHFFFAOYSA-N 1 1 422.460 4.121 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000439955323 865247952 /nfs/dbraw/zinc/24/79/52/865247952.db2.gz ZCOZLNMDQBEZSK-UHFFFAOYSA-N 1 1 422.460 4.121 20 5 HIBDMO Cc1cccc(C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)Cc2cccc(C)n2)n1 ZINC000440963406 866049980 /nfs/dbraw/zinc/04/99/80/866049980.db2.gz UIZIHAMJABCOEZ-UHFFFAOYSA-N 1 1 406.486 4.473 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073742 867811286 /nfs/dbraw/zinc/81/12/86/867811286.db2.gz WRPQCPSOYGPNCS-OXQOHEQNSA-N 1 1 400.475 4.182 20 5 HIBDMO O=C(c1ccccc1[N+](=O)[O-])N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000443984884 868509460 /nfs/dbraw/zinc/50/94/60/868509460.db2.gz FLGIYSQYWGKGQR-KRWDZBQOSA-N 1 1 421.419 4.121 20 5 HIBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444007961 868530249 /nfs/dbraw/zinc/53/02/49/868530249.db2.gz ICQWHOJAVFTFFG-QGZVFWFLSA-N 1 1 405.542 4.312 20 5 HIBDMO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000444255221 868701030 /nfs/dbraw/zinc/70/10/30/868701030.db2.gz YPOIXTXHFNZSRJ-KRWDZBQOSA-N 1 1 401.507 4.314 20 5 HIBDMO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000444255221 868701037 /nfs/dbraw/zinc/70/10/37/868701037.db2.gz YPOIXTXHFNZSRJ-KRWDZBQOSA-N 1 1 401.507 4.314 20 5 HIBDMO C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000444307858 868740096 /nfs/dbraw/zinc/74/00/96/868740096.db2.gz MGKXBGFMBZBIGH-WMZOPIPTSA-N 1 1 403.526 4.064 20 5 HIBDMO Cc1cc(Br)ccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000444707089 868966450 /nfs/dbraw/zinc/96/64/50/868966450.db2.gz XZEYTAFPMYBIKI-UHFFFAOYSA-N 1 1 407.264 4.164 20 5 HIBDMO Cc1cc(Br)ccc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000444707089 868966453 /nfs/dbraw/zinc/96/64/53/868966453.db2.gz XZEYTAFPMYBIKI-UHFFFAOYSA-N 1 1 407.264 4.164 20 5 HIBDMO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000444763323 868990873 /nfs/dbraw/zinc/99/08/73/868990873.db2.gz CVUQFFHDSRKIAQ-OAHLLOKOSA-N 1 1 408.458 4.251 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177253 869262899 /nfs/dbraw/zinc/26/28/99/869262899.db2.gz GNWYDPPYKXSMDX-PKOBYXMFSA-N 1 1 411.505 4.247 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000446280259 870214019 /nfs/dbraw/zinc/21/40/19/870214019.db2.gz HLSAMCYILMAOHQ-XLIONFOSSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000446280259 870214026 /nfs/dbraw/zinc/21/40/26/870214026.db2.gz HLSAMCYILMAOHQ-XLIONFOSSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000447077372 870962600 /nfs/dbraw/zinc/96/26/00/870962600.db2.gz KWXJNWJHOXIHPX-UHFFFAOYSA-N 1 1 410.499 4.465 20 5 HIBDMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000447341215 871236702 /nfs/dbraw/zinc/23/67/02/871236702.db2.gz OGJCSKZKOJXSAU-QHCPKHFHSA-N 1 1 405.429 4.002 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CCO)c1ccccc1Br)CCC2 ZINC000447607070 871514297 /nfs/dbraw/zinc/51/42/97/871514297.db2.gz POBVPBGHFFCLPN-OALUTQOASA-N 1 1 405.292 4.448 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448312989 872247551 /nfs/dbraw/zinc/24/75/51/872247551.db2.gz YMRJFUOYOMJXCA-OAHLLOKOSA-N 1 1 421.419 4.350 20 5 HIBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cc2[N+](=O)[O-])C1 ZINC000461266469 874275303 /nfs/dbraw/zinc/27/53/03/874275303.db2.gz VVJNZUQZGOKJKX-QWFCFKBJSA-N 1 1 416.566 4.024 20 5 HIBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000461265705 874275759 /nfs/dbraw/zinc/27/57/59/874275759.db2.gz SGCFABRFVWHSIJ-HXUWFJFHSA-N 1 1 410.518 4.153 20 5 HIBDMO CSc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000461464872 874522966 /nfs/dbraw/zinc/52/29/66/874522966.db2.gz CJNPKZIHYSYSIF-GOSISDBHSA-N 1 1 413.543 4.349 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462629794 875741710 /nfs/dbraw/zinc/74/17/10/875741710.db2.gz XLGXFRPYCAQNTA-QIJUGHKUSA-N 1 1 409.530 4.333 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462629797 875741868 /nfs/dbraw/zinc/74/18/68/875741868.db2.gz XLGXFRPYCAQNTA-VLCRHTCISA-N 1 1 409.530 4.333 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)c1C ZINC000462776412 875833524 /nfs/dbraw/zinc/83/35/24/875833524.db2.gz RVZTZILQFCPROP-UHFFFAOYSA-N 1 1 419.485 4.252 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1cccs1 ZINC000462882209 875910810 /nfs/dbraw/zinc/91/08/10/875910810.db2.gz SDQYKTBISBQXSO-XOBRGWDASA-N 1 1 400.504 4.036 20 5 HIBDMO Cc1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885772 875913556 /nfs/dbraw/zinc/91/35/56/875913556.db2.gz UGCPYMKMWWTVBR-DYESRHJHSA-N 1 1 423.542 4.339 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000462983977 875997200 /nfs/dbraw/zinc/99/72/00/875997200.db2.gz BFJCSJYPYOYHFM-FYYLOGMGSA-N 1 1 424.545 4.072 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000463041830 876067791 /nfs/dbraw/zinc/06/77/91/876067791.db2.gz HYWCNPOHIPFHDY-NRFANRHFSA-N 1 1 406.429 4.013 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000463041830 876067809 /nfs/dbraw/zinc/06/78/09/876067809.db2.gz HYWCNPOHIPFHDY-NRFANRHFSA-N 1 1 406.429 4.013 20 5 HIBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000463197907 876259321 /nfs/dbraw/zinc/25/93/21/876259321.db2.gz KIGDQUICCLSKAO-DBOLQNLKSA-N 1 1 413.518 4.444 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000463281624 876340354 /nfs/dbraw/zinc/34/03/54/876340354.db2.gz VWTBFIOKUQATMD-PGRDOPGGSA-N 1 1 410.518 4.035 20 5 HIBDMO CC[N@H+](C[C@@H](C)OC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427568 876482076 /nfs/dbraw/zinc/48/20/76/876482076.db2.gz GKFJXQVIZYUINO-AUUYWEPGSA-N 1 1 405.882 4.285 20 5 HIBDMO CC[N@@H+](C[C@@H](C)OC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427568 876482086 /nfs/dbraw/zinc/48/20/86/876482086.db2.gz GKFJXQVIZYUINO-AUUYWEPGSA-N 1 1 405.882 4.285 20 5 HIBDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000468999362 883066502 /nfs/dbraw/zinc/06/65/02/883066502.db2.gz NYNOXPOKNSAIEZ-RYUDHWBXSA-N 1 1 422.279 4.044 20 5 HIBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000463952764 877075483 /nfs/dbraw/zinc/07/54/83/877075483.db2.gz GANIPDQISQAJIT-LJQANCHMSA-N 1 1 414.506 4.043 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000464733598 877969668 /nfs/dbraw/zinc/96/96/68/877969668.db2.gz JWLSPUXNVSHIPC-LIRRHRJNSA-N 1 1 401.438 4.154 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738688 877973086 /nfs/dbraw/zinc/97/30/86/877973086.db2.gz SZJNSCXXFKFKCG-CABCVRRESA-N 1 1 401.429 4.169 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464766732 878011304 /nfs/dbraw/zinc/01/13/04/878011304.db2.gz DOEQPKPTVONVCD-INIZCTEOSA-N 1 1 415.515 4.046 20 5 HIBDMO CCC[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464784904 878032667 /nfs/dbraw/zinc/03/26/67/878032667.db2.gz KGUIFHKGEQBTDX-JOCHJYFZSA-N 1 1 411.502 4.096 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)C1 ZINC000465196456 878598139 /nfs/dbraw/zinc/59/81/39/878598139.db2.gz STDDFDJRMKDGKP-MRXNPFEDSA-N 1 1 424.501 4.142 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466513081 880287503 /nfs/dbraw/zinc/28/75/03/880287503.db2.gz GYAMZCPYQAXBJD-RXVVDRJESA-N 1 1 410.518 4.178 20 5 HIBDMO C[N@@H+](CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 ZINC000466635209 880409416 /nfs/dbraw/zinc/40/94/16/880409416.db2.gz OBGOZRABKIOWKW-UHFFFAOYSA-N 1 1 405.907 4.223 20 5 HIBDMO COc1ccc(C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000467166271 880895901 /nfs/dbraw/zinc/89/59/01/880895901.db2.gz RIYAPJWOEFQYGN-UHFFFAOYSA-N 1 1 403.866 4.075 20 5 HIBDMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000469755931 883920479 /nfs/dbraw/zinc/92/04/79/883920479.db2.gz JIZPFRZMMHEMMZ-UHFFFAOYSA-N 1 1 422.363 4.174 20 5 HIBDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000469755931 883920488 /nfs/dbraw/zinc/92/04/88/883920488.db2.gz JIZPFRZMMHEMMZ-UHFFFAOYSA-N 1 1 422.363 4.174 20 5 HIBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000470231853 884559403 /nfs/dbraw/zinc/55/94/03/884559403.db2.gz TWXXBCPGRRPDBU-GOSISDBHSA-N 1 1 408.502 4.142 20 5 HIBDMO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470888061 885383987 /nfs/dbraw/zinc/38/39/87/885383987.db2.gz JWHBHADVPNNSQF-HSZRJFAPSA-N 1 1 424.545 4.224 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000470993606 885494105 /nfs/dbraw/zinc/49/41/05/885494105.db2.gz OPZHEYAAIVVWSS-XMMPIXPASA-N 1 1 423.513 4.122 20 5 HIBDMO CCC[N@@H+](C)C[C@H]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000471038018 885547424 /nfs/dbraw/zinc/54/74/24/885547424.db2.gz IOJHSTACSUYUOU-XXBNENTESA-N 1 1 424.545 4.247 20 5 HIBDMO C[C@@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000471467814 886156895 /nfs/dbraw/zinc/15/68/95/886156895.db2.gz PHFTVPKFKWUHFV-AWEZNQCLSA-N 1 1 409.408 4.254 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000471947079 886750744 /nfs/dbraw/zinc/75/07/44/886750744.db2.gz PUMYLOTZXURMAV-WBVHZDCISA-N 1 1 408.380 4.181 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000471988157 886815421 /nfs/dbraw/zinc/81/54/21/886815421.db2.gz HIGFNPTUFQAJAJ-UGKGYDQZSA-N 1 1 424.501 4.320 20 5 HIBDMO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)n2C ZINC000472124833 886914835 /nfs/dbraw/zinc/91/48/35/886914835.db2.gz VBLXXVDVORWGGA-UHFFFAOYSA-N 1 1 422.441 4.049 20 5 HIBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473690361 888463899 /nfs/dbraw/zinc/46/38/99/888463899.db2.gz ORZFXKZCRLHUMU-LPHOPBHVSA-N 1 1 412.490 4.293 20 5 HIBDMO Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000473783317 888591180 /nfs/dbraw/zinc/59/11/80/888591180.db2.gz KVVHGBNKUVOENG-QHCPKHFHSA-N 1 1 408.502 4.423 20 5 HIBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000475196346 890065384 /nfs/dbraw/zinc/06/53/84/890065384.db2.gz UTQKYDVEMYUTBN-CHWSQXEVSA-N 1 1 414.428 4.388 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279409 890175700 /nfs/dbraw/zinc/17/57/00/890175700.db2.gz NPEBWALJBSVKGI-ONGXEEELSA-N 1 1 416.318 4.317 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279409 890175706 /nfs/dbraw/zinc/17/57/06/890175706.db2.gz NPEBWALJBSVKGI-ONGXEEELSA-N 1 1 416.318 4.317 20 5 HIBDMO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291163 890193489 /nfs/dbraw/zinc/19/34/89/890193489.db2.gz LVSKKOGGBRXMTI-MWTRTKDXSA-N 1 1 412.486 4.182 20 5 HIBDMO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291163 890193524 /nfs/dbraw/zinc/19/35/24/890193524.db2.gz LVSKKOGGBRXMTI-MWTRTKDXSA-N 1 1 412.486 4.182 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)c1 ZINC000475291195 890194554 /nfs/dbraw/zinc/19/45/54/890194554.db2.gz MCQSOTFINUXVTH-GOSISDBHSA-N 1 1 408.527 4.330 20 5 HIBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475374717 890303683 /nfs/dbraw/zinc/30/36/83/890303683.db2.gz QSYXIEFVBDYXSI-KDOFPFPSSA-N 1 1 402.422 4.157 20 5 HIBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475374717 890303699 /nfs/dbraw/zinc/30/36/99/890303699.db2.gz QSYXIEFVBDYXSI-KDOFPFPSSA-N 1 1 402.422 4.157 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)[C@@H]2CCCSC2)ccc1Oc1ccc(F)cc1 ZINC000475507529 890423361 /nfs/dbraw/zinc/42/33/61/890423361.db2.gz GGIQWZCPVMCTJN-QGZVFWFLSA-N 1 1 406.479 4.216 20 5 HIBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[N@H+](C)Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504830678 913551878 /nfs/dbraw/zinc/55/18/78/913551878.db2.gz JKMNHCOZFGSEQX-QZTJIDSGSA-N 1 1 422.529 4.169 20 5 HIBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[N@@H+](C)Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504830678 913551889 /nfs/dbraw/zinc/55/18/89/913551889.db2.gz JKMNHCOZFGSEQX-QZTJIDSGSA-N 1 1 422.529 4.169 20 5 HIBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](CCSC)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000504912198 913647586 /nfs/dbraw/zinc/64/75/86/913647586.db2.gz RXFHHWSFSLBPKI-HOCLYGCPSA-N 1 1 415.519 4.181 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000477485994 892479398 /nfs/dbraw/zinc/47/93/98/892479398.db2.gz AKLXPQJDRPXZHO-AWEZNQCLSA-N 1 1 422.384 4.271 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000477485994 892479429 /nfs/dbraw/zinc/47/94/29/892479429.db2.gz AKLXPQJDRPXZHO-AWEZNQCLSA-N 1 1 422.384 4.271 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000477624272 892734778 /nfs/dbraw/zinc/73/47/78/892734778.db2.gz GFBZMILNCCWZRO-AWEZNQCLSA-N 1 1 403.866 4.202 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000477743229 892838596 /nfs/dbraw/zinc/83/85/96/892838596.db2.gz IMZJLNZKWUYZDU-UHFFFAOYSA-N 1 1 403.438 4.244 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000477743229 892838597 /nfs/dbraw/zinc/83/85/97/892838597.db2.gz IMZJLNZKWUYZDU-UHFFFAOYSA-N 1 1 403.438 4.244 20 5 HIBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478045685 893188928 /nfs/dbraw/zinc/18/89/28/893188928.db2.gz HHZUYYHIRLJVAI-KRWDZBQOSA-N 1 1 402.520 4.260 20 5 HIBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478049911 893198184 /nfs/dbraw/zinc/19/81/84/893198184.db2.gz YVMSOMASJBTBCX-UHFFFAOYSA-N 1 1 423.922 4.301 20 5 HIBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000478063727 893224438 /nfs/dbraw/zinc/22/44/38/893224438.db2.gz TVDKLRHSVXFICA-KRWDZBQOSA-N 1 1 402.520 4.260 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1Br ZINC000505087779 913811616 /nfs/dbraw/zinc/81/16/16/913811616.db2.gz RKQOTOMZSBBBGR-UHFFFAOYSA-N 1 1 420.307 4.335 20 5 HIBDMO C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000478616773 893878315 /nfs/dbraw/zinc/87/83/15/893878315.db2.gz BTFLDEPGCJQRSL-STQMWFEESA-N 1 1 419.469 4.085 20 5 HIBDMO Cc1c(CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000479313753 894601470 /nfs/dbraw/zinc/60/14/70/894601470.db2.gz HFILMYVWRWXRLR-UHFFFAOYSA-N 1 1 422.485 4.128 20 5 HIBDMO Cc1c(CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000479313753 894601480 /nfs/dbraw/zinc/60/14/80/894601480.db2.gz HFILMYVWRWXRLR-UHFFFAOYSA-N 1 1 422.485 4.128 20 5 HIBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000480055189 895402540 /nfs/dbraw/zinc/40/25/40/895402540.db2.gz FGVRSMNDLIFJNX-GHTZIAJQSA-N 1 1 410.518 4.270 20 5 HIBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000480055190 895402616 /nfs/dbraw/zinc/40/26/16/895402616.db2.gz FGVRSMNDLIFJNX-NQIIRXRSSA-N 1 1 410.518 4.270 20 5 HIBDMO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000480464689 895848168 /nfs/dbraw/zinc/84/81/68/895848168.db2.gz HQKXTRBRAFUVLP-NRFANRHFSA-N 1 1 405.454 4.054 20 5 HIBDMO CCOc1cc(C[N@@H+](C)C2CCCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505360963 914024995 /nfs/dbraw/zinc/02/49/95/914024995.db2.gz CEPRXOXXCULXIJ-UHFFFAOYSA-N 1 1 416.522 4.342 20 5 HIBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)nc1 ZINC000480774155 896138764 /nfs/dbraw/zinc/13/87/64/896138764.db2.gz UYEGWGIRLQINHR-ZDUSSCGKSA-N 1 1 415.906 4.453 20 5 HIBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)nc1 ZINC000480774155 896138775 /nfs/dbraw/zinc/13/87/75/896138775.db2.gz UYEGWGIRLQINHR-ZDUSSCGKSA-N 1 1 415.906 4.453 20 5 HIBDMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000481424629 896826801 /nfs/dbraw/zinc/82/68/01/896826801.db2.gz YJFDOFWKYKVLNI-QFIPXVFZSA-N 1 1 402.454 4.240 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000482084435 897524030 /nfs/dbraw/zinc/52/40/30/897524030.db2.gz OZRBFRQJOILIFI-DENIHFKCSA-N 1 1 421.453 4.057 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[N@H+]2C2CC2)c1 ZINC000482084435 897524044 /nfs/dbraw/zinc/52/40/44/897524044.db2.gz OZRBFRQJOILIFI-DENIHFKCSA-N 1 1 421.453 4.057 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000482084437 897524886 /nfs/dbraw/zinc/52/48/86/897524886.db2.gz OZRBFRQJOILIFI-SIKLNZKXSA-N 1 1 421.453 4.057 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[N@H+]2C2CC2)c1 ZINC000482084437 897524899 /nfs/dbraw/zinc/52/48/99/897524899.db2.gz OZRBFRQJOILIFI-SIKLNZKXSA-N 1 1 421.453 4.057 20 5 HIBDMO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000483459130 899096755 /nfs/dbraw/zinc/09/67/55/899096755.db2.gz VPKNMXKYOWYXLX-ZHRRBRCNSA-N 1 1 410.495 4.439 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483586352 899237289 /nfs/dbraw/zinc/23/72/89/899237289.db2.gz WDQVXCCALVLSQG-LAUBAEHRSA-N 1 1 413.905 4.375 20 5 HIBDMO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483593690 899244020 /nfs/dbraw/zinc/24/40/20/899244020.db2.gz ONFNTPJPEBBQAU-OFNKIYASSA-N 1 1 421.541 4.386 20 5 HIBDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000483648298 899304341 /nfs/dbraw/zinc/30/43/41/899304341.db2.gz VAYRADCKUHQBNF-CABCVRRESA-N 1 1 423.473 4.275 20 5 HIBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485395895 900692116 /nfs/dbraw/zinc/69/21/16/900692116.db2.gz RDPVWJIFIGMBCJ-INIZCTEOSA-N 1 1 407.449 4.074 20 5 HIBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485395896 900692382 /nfs/dbraw/zinc/69/23/82/900692382.db2.gz RDPVWJIFIGMBCJ-MRXNPFEDSA-N 1 1 407.449 4.074 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000485486783 900778429 /nfs/dbraw/zinc/77/84/29/900778429.db2.gz FNWSMXGIGFIVDL-UHFFFAOYSA-N 1 1 405.564 4.291 20 5 HIBDMO CSc1cccc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485500209 900789535 /nfs/dbraw/zinc/78/95/35/900789535.db2.gz XOJLLQYVCTVLNE-WMZOPIPTSA-N 1 1 413.543 4.347 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000485823690 901070748 /nfs/dbraw/zinc/07/07/48/901070748.db2.gz JNPCGYDDKWOREW-MRXNPFEDSA-N 1 1 401.894 4.466 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000485823690 901070758 /nfs/dbraw/zinc/07/07/58/901070758.db2.gz JNPCGYDDKWOREW-MRXNPFEDSA-N 1 1 401.894 4.466 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000505900725 914542524 /nfs/dbraw/zinc/54/25/24/914542524.db2.gz IAVDFXRRVXXHBU-AWEZNQCLSA-N 1 1 408.401 4.106 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000505900725 914542533 /nfs/dbraw/zinc/54/25/33/914542533.db2.gz IAVDFXRRVXXHBU-AWEZNQCLSA-N 1 1 408.401 4.106 20 5 HIBDMO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1[N+](=O)[O-] ZINC000486455150 901613231 /nfs/dbraw/zinc/61/32/31/901613231.db2.gz AFQGJHVJFJXJPX-WZONZLPQSA-N 1 1 420.469 4.207 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486850132 901896824 /nfs/dbraw/zinc/89/68/24/901896824.db2.gz MJDMFRZQYNQUCC-WZONZLPQSA-N 1 1 420.469 4.207 20 5 HIBDMO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489020200 903125847 /nfs/dbraw/zinc/12/58/47/903125847.db2.gz XKFRAHFXRPZPOD-ZDUSSCGKSA-N 1 1 401.854 4.498 20 5 HIBDMO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000490085826 903764860 /nfs/dbraw/zinc/76/48/60/903764860.db2.gz HTMYLZGRBWCYSE-JTQLQIEISA-N 1 1 402.398 4.058 20 5 HIBDMO C[C@@H]1CN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000490172234 903809383 /nfs/dbraw/zinc/80/93/83/903809383.db2.gz MEOWRFFYFUMVQP-KOSHJBKYSA-N 1 1 418.497 4.094 20 5 HIBDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000490196746 903822192 /nfs/dbraw/zinc/82/21/92/903822192.db2.gz LJHURUPTFQLBMU-AZUAARDMSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000490196746 903822193 /nfs/dbraw/zinc/82/21/93/903822193.db2.gz LJHURUPTFQLBMU-AZUAARDMSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490252057 903855317 /nfs/dbraw/zinc/85/53/17/903855317.db2.gz UHCCBLRKYHFJMA-VQTJNVASSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490252057 903855324 /nfs/dbraw/zinc/85/53/24/903855324.db2.gz UHCCBLRKYHFJMA-VQTJNVASSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492960435 904967010 /nfs/dbraw/zinc/96/70/10/904967010.db2.gz MGMFJAGYKMHKMK-AZUAARDMSA-N 1 1 410.518 4.128 20 5 HIBDMO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512386360 921123319 /nfs/dbraw/zinc/12/33/19/921123319.db2.gz FOQBRKWCZDEBGU-NVXWUHKLSA-N 1 1 400.548 4.461 20 5 HIBDMO CC(C)(C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000493726652 905203477 /nfs/dbraw/zinc/20/34/77/905203477.db2.gz VBAOBMUPESQQHC-UHFFFAOYSA-N 1 1 421.541 4.387 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494128886 905473312 /nfs/dbraw/zinc/47/33/12/905473312.db2.gz ULTNCKUPJDJTIV-APWZRJJASA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494128886 905473320 /nfs/dbraw/zinc/47/33/20/905473320.db2.gz ULTNCKUPJDJTIV-APWZRJJASA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494170048 905505847 /nfs/dbraw/zinc/50/58/47/905505847.db2.gz ITPWXENDTXREPT-HKUYNNGSSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494170048 905505851 /nfs/dbraw/zinc/50/58/51/905505851.db2.gz ITPWXENDTXREPT-HKUYNNGSSA-N 1 1 423.847 4.480 20 5 HIBDMO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000494257717 905581848 /nfs/dbraw/zinc/58/18/48/905581848.db2.gz TZLGRLWEDKCXRH-QZTJIDSGSA-N 1 1 411.502 4.024 20 5 HIBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000512457354 921174597 /nfs/dbraw/zinc/17/45/97/921174597.db2.gz RXMGJCIAAAQSSA-HNNXBMFYSA-N 1 1 419.909 4.492 20 5 HIBDMO COc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000497471933 906954471 /nfs/dbraw/zinc/95/44/71/906954471.db2.gz ISSOCUULAHQWFW-AWEZNQCLSA-N 1 1 405.882 4.148 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1Cc1ccccc1 ZINC000498128866 907647597 /nfs/dbraw/zinc/64/75/97/907647597.db2.gz FQBXXEIKLQAIRG-PKOBYXMFSA-N 1 1 418.497 4.268 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498336687 907845822 /nfs/dbraw/zinc/84/58/22/907845822.db2.gz XKPKLABANVULSM-IBGZPJMESA-N 1 1 418.497 4.127 20 5 HIBDMO C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498718733 908143553 /nfs/dbraw/zinc/14/35/53/908143553.db2.gz TXMAFJRBSJGGKI-QUCCMNQESA-N 1 1 422.529 4.179 20 5 HIBDMO Cc1cccc(C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccn2)c1 ZINC000501059628 910268845 /nfs/dbraw/zinc/26/88/45/910268845.db2.gz NJSZYBRPYAMDCA-UHFFFAOYSA-N 1 1 404.470 4.329 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](n3cccn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513153749 921588176 /nfs/dbraw/zinc/58/81/76/921588176.db2.gz LMEWBNRASGDBNI-NRFANRHFSA-N 1 1 422.485 4.216 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1CNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000502721207 911751123 /nfs/dbraw/zinc/75/11/23/911751123.db2.gz FCJMGVKROGTJIN-UHFFFAOYSA-N 1 1 407.430 4.218 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506472721 915071652 /nfs/dbraw/zinc/07/16/52/915071652.db2.gz GSEIMUXDKHILOF-FGTMMUONSA-N 1 1 413.522 4.292 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474782 915074353 /nfs/dbraw/zinc/07/43/53/915074353.db2.gz POWCYSJCGABJFL-RBUKOAKNSA-N 1 1 412.534 4.379 20 5 HIBDMO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506475563 915077302 /nfs/dbraw/zinc/07/73/02/915077302.db2.gz AFHOOIBUJPJCDM-LJQANCHMSA-N 1 1 411.483 4.197 20 5 HIBDMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506475563 915077319 /nfs/dbraw/zinc/07/73/19/915077319.db2.gz AFHOOIBUJPJCDM-LJQANCHMSA-N 1 1 411.483 4.197 20 5 HIBDMO COc1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506552827 915197637 /nfs/dbraw/zinc/19/76/37/915197637.db2.gz OWKYCZZEOXEDKW-LJQANCHMSA-N 1 1 412.486 4.183 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCN(c4ccccc4F)CC3)o2)c1 ZINC000513392322 921763633 /nfs/dbraw/zinc/76/36/33/921763633.db2.gz OYZWOLJUIWDWOD-UHFFFAOYSA-N 1 1 410.449 4.144 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000507178177 915923435 /nfs/dbraw/zinc/92/34/35/915923435.db2.gz IGOAKPGFVCBQQI-UHFFFAOYSA-N 1 1 408.458 4.143 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507245057 916005256 /nfs/dbraw/zinc/00/52/56/916005256.db2.gz WDWOONLGPWHHGD-QWRGUYRKSA-N 1 1 410.243 4.174 20 5 HIBDMO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507631854 916389712 /nfs/dbraw/zinc/38/97/12/916389712.db2.gz ASMJXIFPEKRQKC-UHFFFAOYSA-N 1 1 411.502 4.120 20 5 HIBDMO CCOc1ccc(C2=CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 ZINC000509414061 918075475 /nfs/dbraw/zinc/07/54/75/918075475.db2.gz DZRQASSWRNZWDT-UHFFFAOYSA-N 1 1 423.469 4.081 20 5 HIBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000509455503 918107802 /nfs/dbraw/zinc/10/78/02/918107802.db2.gz XFBNHOWWKIQLBY-LJQANCHMSA-N 1 1 419.934 4.294 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])cc1O ZINC000509615171 918263498 /nfs/dbraw/zinc/26/34/98/918263498.db2.gz DKMNBEKFRQUTLW-UHFFFAOYSA-N 1 1 424.453 4.186 20 5 HIBDMO Cc1c(Br)cc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000509691817 918322447 /nfs/dbraw/zinc/32/24/47/918322447.db2.gz FEQLEPIHEJYGTB-ZENOOKHLSA-N 1 1 424.339 4.143 20 5 HIBDMO CCOc1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510112903 918674397 /nfs/dbraw/zinc/67/43/97/918674397.db2.gz MQZSIPOOWBVOJJ-HKUYNNGSSA-N 1 1 411.502 4.024 20 5 HIBDMO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCO1 ZINC000510520733 918966608 /nfs/dbraw/zinc/96/66/08/918966608.db2.gz LFCMTESNGSLJMX-INIZCTEOSA-N 1 1 401.532 4.008 20 5 HIBDMO C[C@H]1C[N@H+](C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCO1 ZINC000510520733 918966614 /nfs/dbraw/zinc/96/66/14/918966614.db2.gz LFCMTESNGSLJMX-INIZCTEOSA-N 1 1 401.532 4.008 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510538393 918983810 /nfs/dbraw/zinc/98/38/10/918983810.db2.gz LZVNOWWQRWEYMN-IBGZPJMESA-N 1 1 422.485 4.285 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510554528 918999637 /nfs/dbraw/zinc/99/96/37/918999637.db2.gz QYRJGFIYTUSDHQ-LJQANCHMSA-N 1 1 422.485 4.285 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2cccc(Br)c2)no1 ZINC000511136040 919751880 /nfs/dbraw/zinc/75/18/80/919751880.db2.gz IWKIKADFDDNSCL-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2cccc(Br)c2)no1 ZINC000511136040 919751884 /nfs/dbraw/zinc/75/18/84/919751884.db2.gz IWKIKADFDDNSCL-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511248593 919848065 /nfs/dbraw/zinc/84/80/65/919848065.db2.gz JHHJDNYUAKTCFG-HZPDHXFCSA-N 1 1 405.564 4.480 20 5 HIBDMO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000511903528 920640898 /nfs/dbraw/zinc/64/08/98/920640898.db2.gz QVZRBAUIOOMBMO-NRFANRHFSA-N 1 1 410.518 4.003 20 5 HIBDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000512078644 920843119 /nfs/dbraw/zinc/84/31/19/920843119.db2.gz UXIGOQYWFQSLQP-UTKZUKDTSA-N 1 1 410.518 4.256 20 5 HIBDMO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000513444395 921811117 /nfs/dbraw/zinc/81/11/17/921811117.db2.gz VDHIGWRGAWIQGJ-HNNXBMFYSA-N 1 1 420.307 4.286 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CCN(C2CC2)C1 ZINC000513444395 921811122 /nfs/dbraw/zinc/81/11/22/921811122.db2.gz VDHIGWRGAWIQGJ-HNNXBMFYSA-N 1 1 420.307 4.286 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CCN(C2CC2)C1 ZINC000513444395 921811126 /nfs/dbraw/zinc/81/11/26/921811126.db2.gz VDHIGWRGAWIQGJ-HNNXBMFYSA-N 1 1 420.307 4.286 20 5 HIBDMO CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513483464 921838178 /nfs/dbraw/zinc/83/81/78/921838178.db2.gz DFSVOMLAAOOBIZ-GOSISDBHSA-N 1 1 423.307 4.008 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000513698205 922018467 /nfs/dbraw/zinc/01/84/67/922018467.db2.gz XRAOCQPOYXXSCU-HXUWFJFHSA-N 1 1 421.432 4.044 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000513714162 922034746 /nfs/dbraw/zinc/03/47/46/922034746.db2.gz ZFQMLAZLJZBIGA-QFIPXVFZSA-N 1 1 417.469 4.025 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000513909697 922232189 /nfs/dbraw/zinc/23/21/89/922232189.db2.gz QTPSSFAKVQXLIE-HXUWFJFHSA-N 1 1 406.486 4.107 20 5 HIBDMO C[N@@H+](Cc1ccccc1CNC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000515981123 923476981 /nfs/dbraw/zinc/47/69/81/923476981.db2.gz LUQXLPZBXXACLN-UHFFFAOYSA-N 1 1 411.502 4.055 20 5 HIBDMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccc(F)cc2)cc1 ZINC000516367595 923695564 /nfs/dbraw/zinc/69/55/64/923695564.db2.gz TZVFEMZUFYFZCL-HSZRJFAPSA-N 1 1 423.444 4.369 20 5 HIBDMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000517556425 924263900 /nfs/dbraw/zinc/26/39/00/924263900.db2.gz OAXSVQJNVULQBZ-ZHRRBRCNSA-N 1 1 408.502 4.172 20 5 HIBDMO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000518275440 927133100 /nfs/dbraw/zinc/13/31/00/927133100.db2.gz FFEPHJFANLOXBN-CYBMUJFWSA-N 1 1 410.312 4.437 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000520313816 928475083 /nfs/dbraw/zinc/47/50/83/928475083.db2.gz PGZDCHPIAJESMK-OAHLLOKOSA-N 1 1 420.469 4.475 20 5 HIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000521007833 928923596 /nfs/dbraw/zinc/92/35/96/928923596.db2.gz ZMYJOGLLMAAISO-UHFFFAOYSA-N 1 1 423.473 4.164 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)cc2[N+](=O)[O-])cc1 ZINC000521930974 929570956 /nfs/dbraw/zinc/57/09/56/929570956.db2.gz JZYQDRDIPQGRRG-GOSISDBHSA-N 1 1 411.527 4.363 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)cc2[N+](=O)[O-])cc1 ZINC000521930975 929571316 /nfs/dbraw/zinc/57/13/16/929571316.db2.gz JZYQDRDIPQGRRG-SFHVURJKSA-N 1 1 411.527 4.363 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000525057926 930008349 /nfs/dbraw/zinc/00/83/49/930008349.db2.gz YYRSBWDUSGEVPG-IIBYNOLFSA-N 1 1 416.547 4.048 20 5 HIBDMO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000532696187 931590414 /nfs/dbraw/zinc/59/04/14/931590414.db2.gz KQNGNZODPKTZIK-UHFFFAOYSA-N 1 1 424.320 4.270 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](C[NH+]4CCCCCC4)C3)o2)c1 ZINC000532950080 931708887 /nfs/dbraw/zinc/70/88/87/931708887.db2.gz XUAOKHNVDMWUTK-IBGZPJMESA-N 1 1 412.534 4.380 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000532967152 931717363 /nfs/dbraw/zinc/71/73/63/931717363.db2.gz GUWZDCJCXSKPRT-SFHVURJKSA-N 1 1 401.463 4.451 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000533251164 931818981 /nfs/dbraw/zinc/81/89/81/931818981.db2.gz KLHRQCWYRKQSEI-GFCCVEGCSA-N 1 1 411.380 4.254 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000533251164 931818982 /nfs/dbraw/zinc/81/89/82/931818982.db2.gz KLHRQCWYRKQSEI-GFCCVEGCSA-N 1 1 411.380 4.254 20 5 HIBDMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000533385335 931854482 /nfs/dbraw/zinc/85/44/82/931854482.db2.gz DGCRAXOTNJXXSC-QFIPXVFZSA-N 1 1 407.445 4.444 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000533385335 931854487 /nfs/dbraw/zinc/85/44/87/931854487.db2.gz DGCRAXOTNJXXSC-QFIPXVFZSA-N 1 1 407.445 4.444 20 5 HIBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000533438371 931869187 /nfs/dbraw/zinc/86/91/87/931869187.db2.gz DXRRXAJLZPUDBZ-YCRPNKLZSA-N 1 1 411.433 4.393 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000533848000 932059020 /nfs/dbraw/zinc/05/90/20/932059020.db2.gz JFOTZMPFUANKOD-UHFFFAOYSA-N 1 1 412.490 4.079 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000534063590 932242275 /nfs/dbraw/zinc/24/22/75/932242275.db2.gz YXIJCFFSZUEFKF-IRXDYDNUSA-N 1 1 409.273 4.469 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000534063590 932242291 /nfs/dbraw/zinc/24/22/91/932242291.db2.gz YXIJCFFSZUEFKF-IRXDYDNUSA-N 1 1 409.273 4.469 20 5 HIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)nc2c1 ZINC000534219005 932338852 /nfs/dbraw/zinc/33/88/52/932338852.db2.gz CKZZVNHEEZUZCD-QGZVFWFLSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000534219005 932338860 /nfs/dbraw/zinc/33/88/60/932338860.db2.gz CKZZVNHEEZUZCD-QGZVFWFLSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000534219005 932338867 /nfs/dbraw/zinc/33/88/67/932338867.db2.gz CKZZVNHEEZUZCD-QGZVFWFLSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000534225175 932344693 /nfs/dbraw/zinc/34/46/93/932344693.db2.gz AZNXZWSOLMSEBF-KUHUBIRLSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000534225175 932344701 /nfs/dbraw/zinc/34/47/01/932344701.db2.gz AZNXZWSOLMSEBF-KUHUBIRLSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000535115198 932933199 /nfs/dbraw/zinc/93/31/99/932933199.db2.gz DLRLIBPPFGGOLF-OFNKIYASSA-N 1 1 423.513 4.332 20 5 HIBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535206674 933014497 /nfs/dbraw/zinc/01/44/97/933014497.db2.gz OPHCKNNHGVDARM-IBGZPJMESA-N 1 1 421.501 4.055 20 5 HIBDMO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000535503128 933191040 /nfs/dbraw/zinc/19/10/40/933191040.db2.gz COMUPMKDELRYOM-MJXNMMHHSA-N 1 1 402.882 4.054 20 5 HIBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000535503128 933191048 /nfs/dbraw/zinc/19/10/48/933191048.db2.gz COMUPMKDELRYOM-MJXNMMHHSA-N 1 1 402.882 4.054 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000535577479 933252362 /nfs/dbraw/zinc/25/23/62/933252362.db2.gz XWVAZDLAVSHZJV-FPOVZHCZSA-N 1 1 416.909 4.002 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000535577479 933252374 /nfs/dbraw/zinc/25/23/74/933252374.db2.gz XWVAZDLAVSHZJV-FPOVZHCZSA-N 1 1 416.909 4.002 20 5 HIBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682030 933333907 /nfs/dbraw/zinc/33/39/07/933333907.db2.gz UPUVLKLUDCSWSP-LIRRHRJNSA-N 1 1 405.857 4.119 20 5 HIBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000537631465 938341606 /nfs/dbraw/zinc/34/16/06/938341606.db2.gz MXCALUMZEUDQHW-YLJYHZDGSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537648639 938345884 /nfs/dbraw/zinc/34/58/84/938345884.db2.gz WXWZCKJSXIHTBF-PMACEKPBSA-N 1 1 412.486 4.041 20 5 HIBDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537698555 938358529 /nfs/dbraw/zinc/35/85/29/938358529.db2.gz WXYIZOIBNWQZEU-CDHQVMDDSA-N 1 1 401.532 4.007 20 5 HIBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000537721254 938362816 /nfs/dbraw/zinc/36/28/16/938362816.db2.gz XTGIPGHPAQJETQ-UHFFFAOYSA-N 1 1 401.850 4.032 20 5 HIBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)nc2c1 ZINC000538148516 938521685 /nfs/dbraw/zinc/52/16/85/938521685.db2.gz WABREDSZYHXTDB-SJORKVTESA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)nc2c1 ZINC000538148516 938521691 /nfs/dbraw/zinc/52/16/91/938521691.db2.gz WABREDSZYHXTDB-SJORKVTESA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148516 938521699 /nfs/dbraw/zinc/52/16/99/938521699.db2.gz WABREDSZYHXTDB-SJORKVTESA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@H+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148516 938521704 /nfs/dbraw/zinc/52/17/04/938521704.db2.gz WABREDSZYHXTDB-SJORKVTESA-N 1 1 421.501 4.295 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000538736874 938696911 /nfs/dbraw/zinc/69/69/11/938696911.db2.gz LCBRRFCVJKJNMQ-MJGOQNOKSA-N 1 1 408.545 4.111 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000538736874 938696912 /nfs/dbraw/zinc/69/69/12/938696912.db2.gz LCBRRFCVJKJNMQ-MJGOQNOKSA-N 1 1 408.545 4.111 20 5 HIBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)C2 ZINC000538738167 938697848 /nfs/dbraw/zinc/69/78/48/938697848.db2.gz DAHZXONZYSYHRJ-NRFANRHFSA-N 1 1 415.877 4.143 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1)CC1CC1 ZINC000538916021 938737418 /nfs/dbraw/zinc/73/74/18/938737418.db2.gz FFMLPGAYPRFODO-UHFFFAOYSA-N 1 1 410.518 4.117 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000538915901 938737571 /nfs/dbraw/zinc/73/75/71/938737571.db2.gz ANBLNVCDHGLQOC-QGZVFWFLSA-N 1 1 419.591 4.436 20 5 HIBDMO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000539073258 938794222 /nfs/dbraw/zinc/79/42/22/938794222.db2.gz KPJXSIOJWVQEOG-UHFFFAOYSA-N 1 1 416.481 4.005 20 5 HIBDMO Cc1c(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)cccc1[N+](=O)[O-] ZINC000539278457 938832031 /nfs/dbraw/zinc/83/20/31/938832031.db2.gz PQIKXEFNDBDCLZ-GFCCVEGCSA-N 1 1 407.264 4.288 20 5 HIBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000539664390 938896918 /nfs/dbraw/zinc/89/69/18/938896918.db2.gz HYUXLUNZXNMSKF-UHFFFAOYSA-N 1 1 414.531 4.153 20 5 HIBDMO C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000539728447 938914914 /nfs/dbraw/zinc/91/49/14/938914914.db2.gz WBGSOINZRWSMBF-LBPRGKRZSA-N 1 1 407.264 4.369 20 5 HIBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539826270 938948310 /nfs/dbraw/zinc/94/83/10/938948310.db2.gz FDCABJIYMUTGFC-HXUWFJFHSA-N 1 1 414.502 4.431 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOCC34CCC4)o2)c(Br)c1 ZINC000539827156 938948540 /nfs/dbraw/zinc/94/85/40/938948540.db2.gz CXEAZCCELQYIMD-UHFFFAOYSA-N 1 1 407.264 4.372 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOCC34CCC4)o2)c(Br)c1 ZINC000539827156 938948546 /nfs/dbraw/zinc/94/85/46/938948546.db2.gz CXEAZCCELQYIMD-UHFFFAOYSA-N 1 1 407.264 4.372 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1)CC1CC1 ZINC000540032739 939044860 /nfs/dbraw/zinc/04/48/60/939044860.db2.gz BUACVAWZRHWKQQ-UHFFFAOYSA-N 1 1 407.942 4.151 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540798946 939376237 /nfs/dbraw/zinc/37/62/37/939376237.db2.gz PZLYLPMYXUCBDW-GHTZIAJQSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540798946 939376239 /nfs/dbraw/zinc/37/62/39/939376239.db2.gz PZLYLPMYXUCBDW-GHTZIAJQSA-N 1 1 419.884 4.270 20 5 HIBDMO Cc1ccccc1C1CC([N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000541351929 939495596 /nfs/dbraw/zinc/49/55/96/939495596.db2.gz ZQAIJVJWHFKTCP-UHFFFAOYSA-N 1 1 414.527 4.088 20 5 HIBDMO Cc1ccccc1C1CC([N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000541351929 939495597 /nfs/dbraw/zinc/49/55/97/939495597.db2.gz ZQAIJVJWHFKTCP-UHFFFAOYSA-N 1 1 414.527 4.088 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000541424969 939513019 /nfs/dbraw/zinc/51/30/19/939513019.db2.gz HPANWBDQQOJTNM-LZWOXQAQSA-N 1 1 411.955 4.204 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000541565987 939556500 /nfs/dbraw/zinc/55/65/00/939556500.db2.gz GKRDJDYRWAKBHY-MRXNPFEDSA-N 1 1 407.264 4.369 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541695722 939607373 /nfs/dbraw/zinc/60/73/73/939607373.db2.gz QFRIRMVRPONXDV-KRWDZBQOSA-N 1 1 405.564 4.337 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541702954 939609225 /nfs/dbraw/zinc/60/92/25/939609225.db2.gz AVFHHORHIWQVCF-NQIIRXRSSA-N 1 1 415.465 4.223 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(n3ccnc3)CC2)cc1OC ZINC000541987295 939670867 /nfs/dbraw/zinc/67/08/67/939670867.db2.gz VHZVLDWXRPSSFV-INIZCTEOSA-N 1 1 402.495 4.062 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC ZINC000542470764 939828224 /nfs/dbraw/zinc/82/82/24/939828224.db2.gz DJWINRJYIITRTH-UHFFFAOYSA-N 1 1 415.671 4.318 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000542631485 939850451 /nfs/dbraw/zinc/85/04/51/939850451.db2.gz DIFONTBICBUCHS-NQIIRXRSSA-N 1 1 415.465 4.223 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC3(CCC[N@H+]3C)CC2)cc1OC ZINC000543196538 939992701 /nfs/dbraw/zinc/99/27/01/939992701.db2.gz DJPAZWJXNISHTH-QGZVFWFLSA-N 1 1 405.539 4.089 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403626 940052956 /nfs/dbraw/zinc/05/29/56/940052956.db2.gz IDECNMIYQSOUNG-QFIPXVFZSA-N 1 1 403.442 4.210 20 5 HIBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543556582 940107422 /nfs/dbraw/zinc/10/74/22/940107422.db2.gz FXLNRXREVDVEGV-QFBILLFUSA-N 1 1 421.856 4.178 20 5 HIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560975 940109616 /nfs/dbraw/zinc/10/96/16/940109616.db2.gz ROYHAHAFTDGCMB-RBUKOAKNSA-N 1 1 412.421 4.136 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000543843091 940206083 /nfs/dbraw/zinc/20/60/83/940206083.db2.gz PCDWYHOEEARIIW-ABSDTBQOSA-N 1 1 416.522 4.308 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000543843091 940206088 /nfs/dbraw/zinc/20/60/88/940206088.db2.gz PCDWYHOEEARIIW-ABSDTBQOSA-N 1 1 416.522 4.308 20 5 HIBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544089898 940323268 /nfs/dbraw/zinc/32/32/68/940323268.db2.gz BCLBXMGBKCWNSK-UHFFFAOYSA-N 1 1 422.312 4.225 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000544106531 940327787 /nfs/dbraw/zinc/32/77/87/940327787.db2.gz OZTOVTQZSYHSKN-QRWLVFNGSA-N 1 1 413.474 4.024 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000544106531 940327793 /nfs/dbraw/zinc/32/77/93/940327793.db2.gz OZTOVTQZSYHSKN-QRWLVFNGSA-N 1 1 413.474 4.024 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1F ZINC000544426694 940425106 /nfs/dbraw/zinc/42/51/06/940425106.db2.gz CXHLEYRVHFBNER-AWEZNQCLSA-N 1 1 403.479 4.025 20 5 HIBDMO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000544597405 940486945 /nfs/dbraw/zinc/48/69/45/940486945.db2.gz FACVLJWTNFYXSV-GOSISDBHSA-N 1 1 406.490 4.169 20 5 HIBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000544597405 940486949 /nfs/dbraw/zinc/48/69/49/940486949.db2.gz FACVLJWTNFYXSV-GOSISDBHSA-N 1 1 406.490 4.169 20 5 HIBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000544597405 940486952 /nfs/dbraw/zinc/48/69/52/940486952.db2.gz FACVLJWTNFYXSV-GOSISDBHSA-N 1 1 406.490 4.169 20 5 HIBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000544597405 940486956 /nfs/dbraw/zinc/48/69/56/940486956.db2.gz FACVLJWTNFYXSV-GOSISDBHSA-N 1 1 406.490 4.169 20 5 HIBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000544597405 940486959 /nfs/dbraw/zinc/48/69/59/940486959.db2.gz FACVLJWTNFYXSV-GOSISDBHSA-N 1 1 406.490 4.169 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc([C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000544931972 940526322 /nfs/dbraw/zinc/52/63/22/940526322.db2.gz YQUILLIPWASHGI-IBGZPJMESA-N 1 1 418.375 4.351 20 5 HIBDMO Cc1cc(Br)cn2cc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc12 ZINC000545459512 940570886 /nfs/dbraw/zinc/57/08/86/940570886.db2.gz APMBGDZDBOZJEZ-CYBMUJFWSA-N 1 1 403.280 4.473 20 5 HIBDMO CCOc1cccc(NCC2CC[NH+](Cc3csc(CC)n3)CC2)c1[N+](=O)[O-] ZINC000546568587 940855419 /nfs/dbraw/zinc/85/54/19/940855419.db2.gz BZGMGARKFQBHSL-UHFFFAOYSA-N 1 1 404.536 4.337 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 ZINC000548039039 941084055 /nfs/dbraw/zinc/08/40/55/941084055.db2.gz BRJQJTDDBCHEDZ-QFIPXVFZSA-N 1 1 419.912 4.367 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000549161330 941167206 /nfs/dbraw/zinc/16/72/06/941167206.db2.gz BVIDWPDKIXHCFK-FQEVSTJZSA-N 1 1 421.501 4.035 20 5 HIBDMO CC(=O)NCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccc(C)s1 ZINC000549406967 941186857 /nfs/dbraw/zinc/18/68/57/941186857.db2.gz WHNNULSIIGXLEA-UHFFFAOYSA-N 1 1 413.499 4.363 20 5 HIBDMO CC(=O)NCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccc(C)s1 ZINC000549406967 941186858 /nfs/dbraw/zinc/18/68/58/941186858.db2.gz WHNNULSIIGXLEA-UHFFFAOYSA-N 1 1 413.499 4.363 20 5 HIBDMO COc1ccc(Cn2nc(C)c(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000549408796 941186998 /nfs/dbraw/zinc/18/69/98/941186998.db2.gz SQUNOSUOFLTLJE-UHFFFAOYSA-N 1 1 408.502 4.140 20 5 HIBDMO COC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(F)c1 ZINC000549710715 941205369 /nfs/dbraw/zinc/20/53/69/941205369.db2.gz BEYKORINVMIVOP-SFHVURJKSA-N 1 1 414.355 4.321 20 5 HIBDMO CCOc1ccc([C@@H](C)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000551563338 941502025 /nfs/dbraw/zinc/50/20/25/941502025.db2.gz FTXRXOXSKFSUAW-QGZVFWFLSA-N 1 1 413.518 4.317 20 5 HIBDMO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000551600038 941509804 /nfs/dbraw/zinc/50/98/04/941509804.db2.gz QXRYFKIAHLMIDO-HNNXBMFYSA-N 1 1 421.419 4.350 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CCc3ccc(Br)cc3C2)cccc1[N+](=O)[O-] ZINC000551748591 941537734 /nfs/dbraw/zinc/53/77/34/941537734.db2.gz XSMBXORQGFOSEU-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCc3ccc(Br)cc3C2)cccc1[N+](=O)[O-] ZINC000551748591 941537737 /nfs/dbraw/zinc/53/77/37/941537737.db2.gz XSMBXORQGFOSEU-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000553314811 941865887 /nfs/dbraw/zinc/86/58/87/941865887.db2.gz AHZZYZUFYDOPSQ-ZDUSSCGKSA-N 1 1 408.483 4.454 20 5 HIBDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000553314810 941866024 /nfs/dbraw/zinc/86/60/24/941866024.db2.gz AHZZYZUFYDOPSQ-CYBMUJFWSA-N 1 1 408.483 4.454 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553336019 941869382 /nfs/dbraw/zinc/86/93/82/941869382.db2.gz DJLRSMXTXFTCPS-IBGZPJMESA-N 1 1 406.408 4.111 20 5 HIBDMO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000553909430 941996391 /nfs/dbraw/zinc/99/63/91/941996391.db2.gz KWBREEPOPGZZGG-BBRMVZONSA-N 1 1 407.417 4.225 20 5 HIBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000553909430 941996395 /nfs/dbraw/zinc/99/63/95/941996395.db2.gz KWBREEPOPGZZGG-BBRMVZONSA-N 1 1 407.417 4.225 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000554878271 942304753 /nfs/dbraw/zinc/30/47/53/942304753.db2.gz IKYHMMVDDVWWBL-MRXNPFEDSA-N 1 1 422.428 4.244 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000554878271 942304762 /nfs/dbraw/zinc/30/47/62/942304762.db2.gz IKYHMMVDDVWWBL-MRXNPFEDSA-N 1 1 422.428 4.244 20 5 HIBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000555404151 942518198 /nfs/dbraw/zinc/51/81/98/942518198.db2.gz BKRYYLKPUDOZNI-CQSZACIVSA-N 1 1 422.407 4.168 20 5 HIBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000555404151 942518205 /nfs/dbraw/zinc/51/82/05/942518205.db2.gz BKRYYLKPUDOZNI-CQSZACIVSA-N 1 1 422.407 4.168 20 5 HIBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000555817480 942743499 /nfs/dbraw/zinc/74/34/99/942743499.db2.gz KWIRSZOGAYBTRU-CYBMUJFWSA-N 1 1 412.328 4.050 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000556615394 942917480 /nfs/dbraw/zinc/91/74/80/942917480.db2.gz WOTMBYNSFSUPKW-DZGCQCFKSA-N 1 1 407.392 4.006 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556857198 942941126 /nfs/dbraw/zinc/94/11/26/942941126.db2.gz MFNQAFMHMAPIMK-QFIPXVFZSA-N 1 1 407.518 4.048 20 5 HIBDMO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000557039056 943001207 /nfs/dbraw/zinc/00/12/07/943001207.db2.gz UQASVWHTPXQKGL-FZKQIMNGSA-N 1 1 407.392 4.006 20 5 HIBDMO CC[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCCO2 ZINC000557483777 943160317 /nfs/dbraw/zinc/16/03/17/943160317.db2.gz UVTROGVAYKKKSG-DYVFJYSZSA-N 1 1 410.430 4.218 20 5 HIBDMO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000558562123 943599014 /nfs/dbraw/zinc/59/90/14/943599014.db2.gz HRMPZICLMVAUDS-MJGOQNOKSA-N 1 1 413.493 4.256 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000558576482 943605023 /nfs/dbraw/zinc/60/50/23/943605023.db2.gz BNYGFURFHWMZJU-NRFANRHFSA-N 1 1 422.485 4.134 20 5 HIBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000558742530 943637435 /nfs/dbraw/zinc/63/74/35/943637435.db2.gz YSFDPFHWCAKMFM-UHFFFAOYSA-N 1 1 406.364 4.338 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000558742530 943637436 /nfs/dbraw/zinc/63/74/36/943637436.db2.gz YSFDPFHWCAKMFM-UHFFFAOYSA-N 1 1 406.364 4.338 20 5 HIBDMO CSc1cccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1[N+](=O)[O-] ZINC000558937574 943759073 /nfs/dbraw/zinc/75/90/73/943759073.db2.gz LLXGDSHVXCAMQB-UHFFFAOYSA-N 1 1 406.533 4.402 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000559094003 943835746 /nfs/dbraw/zinc/83/57/46/943835746.db2.gz AORHMKCESKJLBF-CYBMUJFWSA-N 1 1 405.380 4.036 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000559107670 943842397 /nfs/dbraw/zinc/84/23/97/943842397.db2.gz PSPFOFCUEOWQBA-QGZVFWFLSA-N 1 1 402.413 4.164 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000561694675 944750553 /nfs/dbraw/zinc/75/05/53/944750553.db2.gz UICRUHZGLYTLAX-OAHLLOKOSA-N 1 1 421.950 4.141 20 5 HIBDMO O=C(CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1-c1ccccc1 ZINC000564412108 945564424 /nfs/dbraw/zinc/56/44/24/945564424.db2.gz WIYHHNCFTCBESX-UHFFFAOYSA-N 1 1 417.465 4.485 20 5 HIBDMO O=C(CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1-c1ccccc1 ZINC000564412108 945564430 /nfs/dbraw/zinc/56/44/30/945564430.db2.gz WIYHHNCFTCBESX-UHFFFAOYSA-N 1 1 417.465 4.485 20 5 HIBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1ccccc1Cl ZINC000570592631 947305690 /nfs/dbraw/zinc/30/56/90/947305690.db2.gz CTTVOOYHXHMCJW-GOSISDBHSA-N 1 1 411.845 4.403 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000571196971 947540888 /nfs/dbraw/zinc/54/08/88/947540888.db2.gz WWHYOSFHIOPDQC-HNNXBMFYSA-N 1 1 417.456 4.106 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288550 948146882 /nfs/dbraw/zinc/14/68/82/948146882.db2.gz UOHHFPXSMNWBKX-GUYCJALGSA-N 1 1 400.422 4.459 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000573937645 948328655 /nfs/dbraw/zinc/32/86/55/948328655.db2.gz MYOPQTULHINADE-CQSZACIVSA-N 1 1 423.439 4.311 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000573937645 948328663 /nfs/dbraw/zinc/32/86/63/948328663.db2.gz MYOPQTULHINADE-CQSZACIVSA-N 1 1 423.439 4.311 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000574544749 948467868 /nfs/dbraw/zinc/46/78/68/948467868.db2.gz BACVGUIJHJELHM-SIKLNZKXSA-N 1 1 424.545 4.079 20 5 HIBDMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)C2 ZINC001164448359 718993018 /nfs/dbraw/zinc/99/30/18/718993018.db2.gz HPPSVLYETNQYBR-UHFFFAOYSA-N 1 1 419.819 4.380 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC001164626137 719103010 /nfs/dbraw/zinc/10/30/10/719103010.db2.gz IGNMGVUPKKSGDD-AUSIDOKSSA-N 1 1 415.497 4.153 20 5 HIBDMO O=[N+]([O-])c1ccc2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2c1 ZINC001164695285 719890785 /nfs/dbraw/zinc/89/07/85/719890785.db2.gz LLVWHPXPWOMHIL-UHFFFAOYSA-N 1 1 424.526 4.076 20 5 HIBDMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc2ccc([N+](=O)[O-])cc12 ZINC001164857932 720940909 /nfs/dbraw/zinc/94/09/09/720940909.db2.gz IGXRYXJPLHMBEJ-INIZCTEOSA-N 1 1 408.506 4.069 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001165026950 721808218 /nfs/dbraw/zinc/80/82/18/721808218.db2.gz SWRJNTPGYWTZCZ-QTGUNEKASA-N 1 1 417.513 4.275 20 5 HIBDMO O=[N+]([O-])c1ccc2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164951330 722016045 /nfs/dbraw/zinc/01/60/45/722016045.db2.gz AHYDWPIRJZKAOT-UHFFFAOYSA-N 1 1 403.486 4.031 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164995617 722197308 /nfs/dbraw/zinc/19/73/08/722197308.db2.gz WDANPYSJGIJWAM-HXUWFJFHSA-N 1 1 404.873 4.336 20 5 HIBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436099109 861382447 /nfs/dbraw/zinc/38/24/47/861382447.db2.gz LHXMLSYTUSHHNQ-MRXNPFEDSA-N 1 1 409.505 4.062 20 5 HIBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436157896 861457328 /nfs/dbraw/zinc/45/73/28/861457328.db2.gz XLBZGCQYAWXGKX-OAHLLOKOSA-N 1 1 409.505 4.061 20 5 HIBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 ZINC000020830268 846390713 /nfs/dbraw/zinc/39/07/13/846390713.db2.gz QIZATCNOIUQELF-UHFFFAOYSA-N 1 1 402.501 4.285 20 5 HIBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 ZINC000020830268 846390731 /nfs/dbraw/zinc/39/07/31/846390731.db2.gz QIZATCNOIUQELF-UHFFFAOYSA-N 1 1 402.501 4.285 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026225751 847106019 /nfs/dbraw/zinc/10/60/19/847106019.db2.gz ZJLJZYXXCFNDQE-UHFFFAOYSA-N 1 1 411.380 4.083 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000026226396 847107583 /nfs/dbraw/zinc/10/75/83/847107583.db2.gz QZAUMUZSMROSIJ-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000043644150 848445818 /nfs/dbraw/zinc/44/58/18/848445818.db2.gz SLIXLZXAADEAFS-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000043644150 848445822 /nfs/dbraw/zinc/44/58/22/848445822.db2.gz SLIXLZXAADEAFS-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])cc1OC ZINC000046156266 848792452 /nfs/dbraw/zinc/79/24/52/848792452.db2.gz ZNRIJLLLBAAPOG-HNNXBMFYSA-N 1 1 413.474 4.096 20 5 HIBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000052193337 849560576 /nfs/dbraw/zinc/56/05/76/849560576.db2.gz PXJOZJOYSZJENI-UHFFFAOYSA-N 1 1 416.890 4.334 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000053112580 849668336 /nfs/dbraw/zinc/66/83/36/849668336.db2.gz QOKQBGDWCHYDSR-UHFFFAOYSA-N 1 1 411.380 4.083 20 5 HIBDMO C[N@@H+](CC1CC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000053183742 849676900 /nfs/dbraw/zinc/67/69/00/849676900.db2.gz DZGMORYJFYBYKQ-SFHVURJKSA-N 1 1 418.291 4.379 20 5 HIBDMO CC[N@@H+]1CCC[C@H]1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555169 851403235 /nfs/dbraw/zinc/40/32/35/851403235.db2.gz GNZFIGRVFZNYMX-QFIPXVFZSA-N 1 1 405.502 4.021 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555169 851403250 /nfs/dbraw/zinc/40/32/50/851403250.db2.gz GNZFIGRVFZNYMX-QFIPXVFZSA-N 1 1 405.502 4.021 20 5 HIBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000062231098 851511939 /nfs/dbraw/zinc/51/19/39/851511939.db2.gz DXNJJOWBJYCVJF-QGZVFWFLSA-N 1 1 409.511 4.452 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064420611 851894061 /nfs/dbraw/zinc/89/40/61/851894061.db2.gz SIQCRQLMZVUJMG-OAHLLOKOSA-N 1 1 419.909 4.172 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000068711886 852367901 /nfs/dbraw/zinc/36/79/01/852367901.db2.gz WZXWVSQWXRXBBV-QGZVFWFLSA-N 1 1 416.909 4.074 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000109305973 852949641 /nfs/dbraw/zinc/94/96/41/852949641.db2.gz VUDMXOBTTRFDKP-PKOBYXMFSA-N 1 1 413.543 4.104 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437243156 862458341 /nfs/dbraw/zinc/45/83/41/862458341.db2.gz ACIJLUZYRLSUEL-HNNXBMFYSA-N 1 1 421.419 4.350 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140149379 853435479 /nfs/dbraw/zinc/43/54/79/853435479.db2.gz VCTLPWFBEALWCN-JKSUJKDBSA-N 1 1 419.572 4.165 20 5 HIBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000150247896 853641439 /nfs/dbraw/zinc/64/14/39/853641439.db2.gz VDFDEFZGIDFYQF-HXUWFJFHSA-N 1 1 413.474 4.086 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC[N@H+]4CCCC[C@@H]34)o2)c(Br)c1 ZINC000236569610 853899595 /nfs/dbraw/zinc/89/95/95/853899595.db2.gz NIEDXKVNRWPGMS-ROUUACIJSA-N 1 1 420.307 4.334 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCN4CCCC[C@@H]34)o2)c(Br)c1 ZINC000236569610 853899601 /nfs/dbraw/zinc/89/96/01/853899601.db2.gz NIEDXKVNRWPGMS-ROUUACIJSA-N 1 1 420.307 4.334 20 5 HIBDMO CC[N@H+]1CCC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236931220 853939593 /nfs/dbraw/zinc/93/95/93/853939593.db2.gz IVTLRSGNTDNUEL-AWEZNQCLSA-N 1 1 422.323 4.439 20 5 HIBDMO C[NH+](C)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 ZINC000237178289 853976268 /nfs/dbraw/zinc/97/62/68/853976268.db2.gz KQBSWQUCZMMUKG-IBGZPJMESA-N 1 1 400.479 4.250 20 5 HIBDMO COc1cc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])cc1OC ZINC000237284244 853997583 /nfs/dbraw/zinc/99/75/83/853997583.db2.gz HBDXOEILTAALII-UHFFFAOYSA-N 1 1 408.454 4.481 20 5 HIBDMO C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000237432086 854032677 /nfs/dbraw/zinc/03/26/77/854032677.db2.gz SHSDKORPJOTAEY-INIZCTEOSA-N 1 1 408.527 4.255 20 5 HIBDMO C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1CCc2ccccc2C1 ZINC000237432086 854032681 /nfs/dbraw/zinc/03/26/81/854032681.db2.gz SHSDKORPJOTAEY-INIZCTEOSA-N 1 1 408.527 4.255 20 5 HIBDMO C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[N@@H+]1C1CC1 ZINC000237696907 854077758 /nfs/dbraw/zinc/07/77/58/854077758.db2.gz OSVJLQDEMWFHJC-QWHCGFSZSA-N 1 1 420.307 4.332 20 5 HIBDMO C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[N@H+]1C1CC1 ZINC000237696907 854077767 /nfs/dbraw/zinc/07/77/67/854077767.db2.gz OSVJLQDEMWFHJC-QWHCGFSZSA-N 1 1 420.307 4.332 20 5 HIBDMO C[C@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1Cc1ccccc1 ZINC000237719720 854083004 /nfs/dbraw/zinc/08/30/04/854083004.db2.gz TXZMYTNWWQTPTO-LPHOPBHVSA-N 1 1 408.527 4.471 20 5 HIBDMO C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000237719720 854083010 /nfs/dbraw/zinc/08/30/10/854083010.db2.gz TXZMYTNWWQTPTO-LPHOPBHVSA-N 1 1 408.527 4.471 20 5 HIBDMO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)n1 ZINC000237794024 854099102 /nfs/dbraw/zinc/09/91/02/854099102.db2.gz SVSRXLFCSXWGAM-UHFFFAOYSA-N 1 1 420.498 4.206 20 5 HIBDMO O=C1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1c1ccccc1 ZINC000237906745 854118120 /nfs/dbraw/zinc/11/81/20/854118120.db2.gz JTBIROXLNONFDT-IBGZPJMESA-N 1 1 408.483 4.004 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CC[N@@H+](CCc4ccccc4)C3)cs2)c1 ZINC000238007996 854133045 /nfs/dbraw/zinc/13/30/45/854133045.db2.gz SZTRAMDKJGSDHU-LJQANCHMSA-N 1 1 422.554 4.373 20 5 HIBDMO Cc1cc(N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)ncc1[N+](=O)[O-] ZINC000301439406 854395007 /nfs/dbraw/zinc/39/50/07/854395007.db2.gz NYELCZNIIRAACC-UHFFFAOYSA-N 1 1 408.424 4.418 20 5 HIBDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4c(cccc4[N+](=O)[O-])C3)c2c1C ZINC000301815103 854470293 /nfs/dbraw/zinc/47/02/93/854470293.db2.gz GMCBFBOLVDHFIL-UHFFFAOYSA-N 1 1 423.542 4.375 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1OCc1ccccc1 ZINC000302169191 854541825 /nfs/dbraw/zinc/54/18/25/854541825.db2.gz LCPJWMPUNLRIFM-AZUAARDMSA-N 1 1 408.502 4.022 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000302935220 854686537 /nfs/dbraw/zinc/68/65/37/854686537.db2.gz FXLOGOTXBMGESJ-KRWDZBQOSA-N 1 1 405.564 4.190 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000303273528 854845152 /nfs/dbraw/zinc/84/51/52/854845152.db2.gz RWCDZZRANBGVNG-QGZVFWFLSA-N 1 1 406.429 4.058 20 5 HIBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000303327115 854873393 /nfs/dbraw/zinc/87/33/93/854873393.db2.gz IVQYXXKPICQPOS-UHFFFAOYSA-N 1 1 422.312 4.225 20 5 HIBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000303415137 854917255 /nfs/dbraw/zinc/91/72/55/854917255.db2.gz BADNQVIHCOCQRA-SEJPIABJSA-N 1 1 420.513 4.095 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303737919 855163103 /nfs/dbraw/zinc/16/31/03/855163103.db2.gz HILGPDNOZIEOMK-MAUKXSAKSA-N 1 1 401.894 4.373 20 5 HIBDMO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000303963335 855324615 /nfs/dbraw/zinc/32/46/15/855324615.db2.gz XKCXUPGWJMVVIJ-MRXNPFEDSA-N 1 1 403.866 4.207 20 5 HIBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311045077 855369333 /nfs/dbraw/zinc/36/93/33/855369333.db2.gz FSKSSNVCJRDVCD-ZFWWWQNUSA-N 1 1 405.296 4.075 20 5 HIBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409640237 855577102 /nfs/dbraw/zinc/57/71/02/855577102.db2.gz RPYLSFJJEIJDAT-ZDUSSCGKSA-N 1 1 405.296 4.274 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F ZINC000425992257 856034446 /nfs/dbraw/zinc/03/44/46/856034446.db2.gz BXBQSVNPMDLXHU-UHFFFAOYSA-N 1 1 423.448 4.102 20 5 HIBDMO C[N@@H+]([C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000426229714 856190058 /nfs/dbraw/zinc/19/00/58/856190058.db2.gz ZZQKZMFBPBXBLH-AQNXPRMDSA-N 1 1 417.893 4.163 20 5 HIBDMO C[C@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000429251520 857575225 /nfs/dbraw/zinc/57/52/25/857575225.db2.gz BUBLCLXMVDUAKN-ZDUSSCGKSA-N 1 1 420.307 4.059 20 5 HIBDMO CC(C)([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429265601 857581650 /nfs/dbraw/zinc/58/16/50/857581650.db2.gz GLKRNXNBHBDLSR-UHFFFAOYSA-N 1 1 419.485 4.121 20 5 HIBDMO COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)n1 ZINC000430236200 858092125 /nfs/dbraw/zinc/09/21/25/858092125.db2.gz NJWCDCGYEQRGDF-UHFFFAOYSA-N 1 1 424.457 4.042 20 5 HIBDMO COc1cccc(C2(F)CC[NH+](Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000467541032 881362734 /nfs/dbraw/zinc/36/27/34/881362734.db2.gz DEVGPDZEUYINRH-UHFFFAOYSA-N 1 1 404.438 4.081 20 5 HIBDMO COC1CC[NH+](C2(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CCCC2)CC1 ZINC000433112749 859525821 /nfs/dbraw/zinc/52/58/21/859525821.db2.gz AIYKBTRYINWBJF-NRFANRHFSA-N 1 1 401.551 4.330 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000433139993 859536671 /nfs/dbraw/zinc/53/66/71/859536671.db2.gz DLHLWJUAJQBRLG-INIZCTEOSA-N 1 1 412.490 4.045 20 5 HIBDMO CC1(C)C[C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433282729 859615095 /nfs/dbraw/zinc/61/50/95/859615095.db2.gz NGCQVGOPTAWVAA-QHCPKHFHSA-N 1 1 409.530 4.064 20 5 HIBDMO COc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000433307246 859629401 /nfs/dbraw/zinc/62/94/01/859629401.db2.gz UICFYXJPPJAVNI-LJQANCHMSA-N 1 1 422.428 4.198 20 5 HIBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000434332185 860294545 /nfs/dbraw/zinc/29/45/45/860294545.db2.gz HDZWITHAISHAQZ-HXUWFJFHSA-N 1 1 419.485 4.107 20 5 HIBDMO C[N@@H+](CCCCCO)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000434688322 860461831 /nfs/dbraw/zinc/46/18/31/860461831.db2.gz KZJXSZLTSXOQJN-LJQANCHMSA-N 1 1 405.882 4.022 20 5 HIBDMO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435283455 860717964 /nfs/dbraw/zinc/71/79/64/860717964.db2.gz XXLUAZBSZAAQOR-HXUWFJFHSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435296756 860725095 /nfs/dbraw/zinc/72/50/95/860725095.db2.gz HNAJSRYMUUZROX-FQEVSTJZSA-N 1 1 419.485 4.107 20 5 HIBDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000435541414 860856076 /nfs/dbraw/zinc/85/60/76/860856076.db2.gz YFAZWRDVCUAFKC-KRWDZBQOSA-N 1 1 420.513 4.193 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998589 863360830 /nfs/dbraw/zinc/36/08/30/863360830.db2.gz JBSKRVGPGWMUQX-FXAWDEMLSA-N 1 1 408.502 4.104 20 5 HIBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817284 865135175 /nfs/dbraw/zinc/13/51/75/865135175.db2.gz AWYXEQCLVFGZNZ-HZPDHXFCSA-N 1 1 400.454 4.329 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000439889779 865201990 /nfs/dbraw/zinc/20/19/90/865201990.db2.gz WWPZCPBBVUFUCG-AWEZNQCLSA-N 1 1 409.446 4.370 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440520964 865803916 /nfs/dbraw/zinc/80/39/16/865803916.db2.gz AKWFIFZMOIEYBF-KRWDZBQOSA-N 1 1 401.894 4.232 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295575 866370082 /nfs/dbraw/zinc/37/00/82/866370082.db2.gz KQKJDMRWQXMKIQ-QTEQDKRBSA-N 1 1 423.513 4.332 20 5 HIBDMO CO[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000443076552 867813107 /nfs/dbraw/zinc/81/31/07/867813107.db2.gz YAWXNHFZUVZTJH-VGOFRKELSA-N 1 1 406.486 4.447 20 5 HIBDMO CO[C@@H](C)c1nc(CN2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250670 882155609 /nfs/dbraw/zinc/15/56/09/882155609.db2.gz LPSPEKKGMCYRNP-CVEARBPZSA-N 1 1 404.536 4.028 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642733 868227211 /nfs/dbraw/zinc/22/72/11/868227211.db2.gz PCTBQHILXOMWPC-UONOGXRCSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642733 868227238 /nfs/dbraw/zinc/22/72/38/868227238.db2.gz PCTBQHILXOMWPC-UONOGXRCSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444032411 868565057 /nfs/dbraw/zinc/56/50/57/868565057.db2.gz KOOVGUUTMPAZNU-MOPGFXCFSA-N 1 1 417.553 4.408 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000444175542 868650162 /nfs/dbraw/zinc/65/01/62/868650162.db2.gz KRIGBKZGVAEEIO-IFXJQAMLSA-N 1 1 401.438 4.154 20 5 HIBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282951 868712162 /nfs/dbraw/zinc/71/21/62/868712162.db2.gz BIRYVJVNEOPUOT-INIZCTEOSA-N 1 1 417.484 4.071 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000444675174 868951846 /nfs/dbraw/zinc/95/18/46/868951846.db2.gz LTUHHZJVASTEAU-NEPJUHHUSA-N 1 1 403.389 4.017 20 5 HIBDMO Cc1cccc2nc(C3CC[NH+]([C@H]4CCN(c5cccc([N+](=O)[O-])c5)C4=O)CC3)oc21 ZINC000444763200 868991108 /nfs/dbraw/zinc/99/11/08/868991108.db2.gz TWEFHMLLHQMGLD-FQEVSTJZSA-N 1 1 420.469 4.029 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[N@H+]1Cc1ccccc1 ZINC000444990851 869148085 /nfs/dbraw/zinc/14/80/85/869148085.db2.gz JQJBOVLBLYISRC-IEBWSBKVSA-N 1 1 411.505 4.074 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445489633 869559474 /nfs/dbraw/zinc/55/94/74/869559474.db2.gz FAQLTMZHMJUQHG-GOSISDBHSA-N 1 1 422.529 4.237 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000446497046 870412486 /nfs/dbraw/zinc/41/24/86/870412486.db2.gz WOXJNNDFWAYWKT-UHFFFAOYSA-N 1 1 408.458 4.450 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000446497046 870412501 /nfs/dbraw/zinc/41/25/01/870412501.db2.gz WOXJNNDFWAYWKT-UHFFFAOYSA-N 1 1 408.458 4.450 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000446499580 870418040 /nfs/dbraw/zinc/41/80/40/870418040.db2.gz QYPKJAMNWCGIGN-QHCPKHFHSA-N 1 1 408.502 4.423 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Br)c(Cl)s3)nc2c1 ZINC000446857447 870780294 /nfs/dbraw/zinc/78/02/94/870780294.db2.gz UYQPDTCGJMQDPD-UHFFFAOYSA-N 1 1 401.673 4.238 20 5 HIBDMO C[C@@H](NC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1)c1ccccc1 ZINC000447545204 871410634 /nfs/dbraw/zinc/41/06/34/871410634.db2.gz WOZFVVXQCHYNSB-JPYJTQIMSA-N 1 1 409.530 4.462 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448257436 872181621 /nfs/dbraw/zinc/18/16/21/872181621.db2.gz VCCVBYJMUWRTLK-YOEHRIQHSA-N 1 1 421.419 4.254 20 5 HIBDMO CC(C)c1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000461433611 874481734 /nfs/dbraw/zinc/48/17/34/874481734.db2.gz WUXUEEVLAGTEAK-SFTDATJTSA-N 1 1 407.514 4.312 20 5 HIBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461470880 874527150 /nfs/dbraw/zinc/52/71/50/874527150.db2.gz JJYXYSBHXMWKRL-IBGZPJMESA-N 1 1 413.543 4.105 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000468746358 882840766 /nfs/dbraw/zinc/84/07/66/882840766.db2.gz GZIKWPOQKPLSOU-MHWRWJLKSA-N 1 1 422.510 4.174 20 5 HIBDMO Cc1cc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)nc(C)[nH+]1 ZINC000461937507 875071985 /nfs/dbraw/zinc/07/19/85/875071985.db2.gz UGKAGWALLLNFDC-UHFFFAOYSA-N 1 1 409.412 4.410 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462447468 875553965 /nfs/dbraw/zinc/55/39/65/875553965.db2.gz OIWTYBXOQXXGGO-UONOGXRCSA-N 1 1 422.938 4.016 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000462619828 875731387 /nfs/dbraw/zinc/73/13/87/875731387.db2.gz NZEZLNIFTSHMAD-OPYAIIAOSA-N 1 1 415.559 4.424 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462631434 875742859 /nfs/dbraw/zinc/74/28/59/875742859.db2.gz NKIFBDNUVPBJGS-VXKWHMMOSA-N 1 1 409.530 4.144 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000462991202 876005600 /nfs/dbraw/zinc/00/56/00/876005600.db2.gz UISSVTHXYGFKEW-SIKLNZKXSA-N 1 1 409.530 4.287 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000464484246 877702545 /nfs/dbraw/zinc/70/25/45/877702545.db2.gz BMAFHFVXFNGEOI-OAHLLOKOSA-N 1 1 417.485 4.288 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000464484246 877702555 /nfs/dbraw/zinc/70/25/55/877702555.db2.gz BMAFHFVXFNGEOI-OAHLLOKOSA-N 1 1 417.485 4.288 20 5 HIBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000464568336 877787204 /nfs/dbraw/zinc/78/72/04/877787204.db2.gz IKDNEVFZQGRGDV-IBGZPJMESA-N 1 1 410.518 4.011 20 5 HIBDMO COc1cccc(C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C2CCC(O)CC2)c1 ZINC000464676716 877894309 /nfs/dbraw/zinc/89/43/09/877894309.db2.gz JADKWUGNSNVGEZ-UHFFFAOYSA-N 1 1 418.465 4.057 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757648 877997166 /nfs/dbraw/zinc/99/71/66/877997166.db2.gz OUPQYPWWWVGIOM-HZPDHXFCSA-N 1 1 415.515 4.045 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757648 877997186 /nfs/dbraw/zinc/99/71/86/877997186.db2.gz OUPQYPWWWVGIOM-HZPDHXFCSA-N 1 1 415.515 4.045 20 5 HIBDMO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464783018 878030412 /nfs/dbraw/zinc/03/04/12/878030412.db2.gz DYUUDEDPXHUJDY-OAHLLOKOSA-N 1 1 415.515 4.187 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000465184279 878574312 /nfs/dbraw/zinc/57/43/12/878574312.db2.gz KFXZPHPBNQECQA-CQSZACIVSA-N 1 1 403.866 4.221 20 5 HIBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000465634918 879148535 /nfs/dbraw/zinc/14/85/35/879148535.db2.gz NPCRYNKJUJTTIU-URLQWDBASA-N 1 1 402.520 4.100 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000465640178 879154746 /nfs/dbraw/zinc/15/47/46/879154746.db2.gz QQODVLLBQCJBOT-QUCCMNQESA-N 1 1 410.518 4.209 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000467022205 880824189 /nfs/dbraw/zinc/82/41/89/880824189.db2.gz HXZWVMHKBYHUDA-UHFFFAOYSA-N 1 1 424.320 4.150 20 5 HIBDMO CCOc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1[N+](=O)[O-] ZINC000467027098 880827059 /nfs/dbraw/zinc/82/70/59/880827059.db2.gz SXCHAAONTITDLA-UHFFFAOYSA-N 1 1 422.279 4.070 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370010 881143391 /nfs/dbraw/zinc/14/33/91/881143391.db2.gz NOPPZHPCECDJDQ-AOMKIAJQSA-N 1 1 400.475 4.039 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377788 881151931 /nfs/dbraw/zinc/15/19/31/881151931.db2.gz PLLZMUOHVNHGFH-KSFYIVLOSA-N 1 1 400.475 4.039 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000469562097 883814916 /nfs/dbraw/zinc/81/49/16/883814916.db2.gz MCISXUOXVXPXQP-NRFANRHFSA-N 1 1 418.453 4.254 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470117068 884377914 /nfs/dbraw/zinc/37/79/14/884377914.db2.gz JFQJZJGASSSAQK-QGZVFWFLSA-N 1 1 400.454 4.110 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000470136362 884399461 /nfs/dbraw/zinc/39/94/61/884399461.db2.gz GHVYQNYZHKSVNH-KXBFYZLASA-N 1 1 400.454 4.251 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000470136361 884399820 /nfs/dbraw/zinc/39/98/20/884399820.db2.gz GHVYQNYZHKSVNH-HNAYVOBHSA-N 1 1 400.454 4.251 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]Cc3nc4cc(C)ccc4n3C)o2)c([N+](=O)[O-])c1 ZINC000470535822 884937170 /nfs/dbraw/zinc/93/71/70/884937170.db2.gz BBYRFEKLKLNULK-UHFFFAOYSA-N 1 1 406.442 4.348 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471291403 885877041 /nfs/dbraw/zinc/87/70/41/885877041.db2.gz HSNKHPAVFNJUSL-SFHVURJKSA-N 1 1 413.543 4.347 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000471456112 886132052 /nfs/dbraw/zinc/13/20/52/886132052.db2.gz XIMWHGFRFFZXQZ-DLBZAZTESA-N 1 1 401.532 4.102 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472290444 887110459 /nfs/dbraw/zinc/11/04/59/887110459.db2.gz BXXUBBFEPIMSRR-OAQYLSRUSA-N 1 1 410.518 4.037 20 5 HIBDMO Cc1c(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000473438479 888158411 /nfs/dbraw/zinc/15/84/11/888158411.db2.gz OZCKLZHLEAEFJC-QHCPKHFHSA-N 1 1 408.502 4.423 20 5 HIBDMO CC(C)(C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000473506106 888233686 /nfs/dbraw/zinc/23/36/86/888233686.db2.gz KDLBMJAXZSLLBU-RUZDIDTESA-N 1 1 421.541 4.387 20 5 HIBDMO COc1ccc(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)(C)C)c(OC)c1 ZINC000474156659 888991351 /nfs/dbraw/zinc/99/13/51/888991351.db2.gz HGBQUMUFGNUBDB-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO COc1ccc(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)(C)C)c(OC)c1 ZINC000474156659 888991362 /nfs/dbraw/zinc/99/13/62/888991362.db2.gz HGBQUMUFGNUBDB-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474222815 889061464 /nfs/dbraw/zinc/06/14/64/889061464.db2.gz HWZLUPXLZXHWNG-UHFFFAOYSA-N 1 1 411.502 4.039 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000474238028 889084038 /nfs/dbraw/zinc/08/40/38/889084038.db2.gz ZYWGHLQLHWTGDC-UHFFFAOYSA-N 1 1 411.502 4.039 20 5 HIBDMO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270364 890165809 /nfs/dbraw/zinc/16/58/09/890165809.db2.gz RXRXFZNFWHMKPH-QMHKHESXSA-N 1 1 412.486 4.182 20 5 HIBDMO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270364 890165833 /nfs/dbraw/zinc/16/58/33/890165833.db2.gz RXRXFZNFWHMKPH-QMHKHESXSA-N 1 1 412.486 4.182 20 5 HIBDMO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270366 890167339 /nfs/dbraw/zinc/16/73/39/890167339.db2.gz RXRXFZNFWHMKPH-WAIKUNEKSA-N 1 1 412.486 4.182 20 5 HIBDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270366 890167346 /nfs/dbraw/zinc/16/73/46/890167346.db2.gz RXRXFZNFWHMKPH-WAIKUNEKSA-N 1 1 412.486 4.182 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCN(CCc2ccccn2)CC1 ZINC000512378985 921116934 /nfs/dbraw/zinc/11/69/34/921116934.db2.gz CJGRJOUJALXPKI-UHFFFAOYSA-N 1 1 420.513 4.389 20 5 HIBDMO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512378985 921116939 /nfs/dbraw/zinc/11/69/39/921116939.db2.gz CJGRJOUJALXPKI-UHFFFAOYSA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@@]1(O)CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000475341167 890262467 /nfs/dbraw/zinc/26/24/67/890262467.db2.gz ADCRRIYKIZGIAZ-HSZRJFAPSA-N 1 1 406.486 4.184 20 5 HIBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000475624456 890561571 /nfs/dbraw/zinc/56/15/71/890561571.db2.gz JXVPXTOMWSOWRS-OAHLLOKOSA-N 1 1 419.197 4.199 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000475645788 890588336 /nfs/dbraw/zinc/58/83/36/890588336.db2.gz OUQJTHXFBZVOMH-VQIMIIECSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000475645788 890588346 /nfs/dbraw/zinc/58/83/46/890588346.db2.gz OUQJTHXFBZVOMH-VQIMIIECSA-N 1 1 402.882 4.432 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000475721757 890660043 /nfs/dbraw/zinc/66/00/43/890660043.db2.gz FIAPBRVCANVFNL-UHFFFAOYSA-N 1 1 404.438 4.086 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053519 891985185 /nfs/dbraw/zinc/98/51/85/891985185.db2.gz YPXIGHHUWTUQKX-ISKFKSNPSA-N 1 1 423.513 4.476 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053519 891985206 /nfs/dbraw/zinc/98/52/06/891985206.db2.gz YPXIGHHUWTUQKX-ISKFKSNPSA-N 1 1 423.513 4.476 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000477375353 892337439 /nfs/dbraw/zinc/33/74/39/892337439.db2.gz RZOXMJJTHUADEI-MAUKXSAKSA-N 1 1 401.894 4.340 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000478052255 893200730 /nfs/dbraw/zinc/20/07/30/893200730.db2.gz HEBLAEVNPTZWSO-MRXNPFEDSA-N 1 1 422.957 4.163 20 5 HIBDMO C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000478616771 893878199 /nfs/dbraw/zinc/87/81/99/893878199.db2.gz BTFLDEPGCJQRSL-OLZOCXBDSA-N 1 1 419.469 4.085 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000478635687 893888585 /nfs/dbraw/zinc/88/85/85/893888585.db2.gz WERAANASQFHHIV-MRXNPFEDSA-N 1 1 407.942 4.294 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Br)ccc2Br)cc1 ZINC000479614804 894885257 /nfs/dbraw/zinc/88/52/57/894885257.db2.gz LICVSBUJOJQQAP-UHFFFAOYSA-N 1 1 400.070 4.410 20 5 HIBDMO Cc1c(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479727426 895025972 /nfs/dbraw/zinc/02/59/72/895025972.db2.gz BSFJBLWAXXECDU-YLJYHZDGSA-N 1 1 410.518 4.003 20 5 HIBDMO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481377631 896773772 /nfs/dbraw/zinc/77/37/72/896773772.db2.gz KPSHBLCCKKMXIF-XIKOKIGWSA-N 1 1 402.838 4.164 20 5 HIBDMO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481545262 896908241 /nfs/dbraw/zinc/90/82/41/896908241.db2.gz QZAOSBPJWGCRRX-KZULUSFZSA-N 1 1 402.838 4.164 20 5 HIBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141624 897602024 /nfs/dbraw/zinc/60/20/24/897602024.db2.gz KCJBIMWJBYIEDD-UTKZUKDTSA-N 1 1 423.517 4.452 20 5 HIBDMO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141624 897602030 /nfs/dbraw/zinc/60/20/30/897602030.db2.gz KCJBIMWJBYIEDD-UTKZUKDTSA-N 1 1 423.517 4.452 20 5 HIBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141625 897602454 /nfs/dbraw/zinc/60/24/54/897602454.db2.gz KCJBIMWJBYIEDD-UWJYYQICSA-N 1 1 423.517 4.452 20 5 HIBDMO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141625 897602461 /nfs/dbraw/zinc/60/24/61/897602461.db2.gz KCJBIMWJBYIEDD-UWJYYQICSA-N 1 1 423.517 4.452 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000505519354 914210762 /nfs/dbraw/zinc/21/07/62/914210762.db2.gz FHACMTCSXWUUSO-NRFANRHFSA-N 1 1 405.564 4.291 20 5 HIBDMO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482543293 898131677 /nfs/dbraw/zinc/13/16/77/898131677.db2.gz LKHTTYQRJJZKRO-IERDGZPVSA-N 1 1 400.498 4.288 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000482669207 898271394 /nfs/dbraw/zinc/27/13/94/898271394.db2.gz YVLAALNPHAGEAG-HNNXBMFYSA-N 1 1 400.454 4.159 20 5 HIBDMO COc1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000505541481 914236956 /nfs/dbraw/zinc/23/69/56/914236956.db2.gz YTZHBLLZFZPCHF-KRWDZBQOSA-N 1 1 422.428 4.386 20 5 HIBDMO COc1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000505541481 914236974 /nfs/dbraw/zinc/23/69/74/914236974.db2.gz YTZHBLLZFZPCHF-KRWDZBQOSA-N 1 1 422.428 4.386 20 5 HIBDMO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000483407390 899037855 /nfs/dbraw/zinc/03/78/55/899037855.db2.gz NCPNDDURAGXRKM-SFHVURJKSA-N 1 1 400.529 4.347 20 5 HIBDMO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000483407390 899037873 /nfs/dbraw/zinc/03/78/73/899037873.db2.gz NCPNDDURAGXRKM-SFHVURJKSA-N 1 1 400.529 4.347 20 5 HIBDMO COc1cc(C[NH2+][C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000484294577 899857746 /nfs/dbraw/zinc/85/77/46/899857746.db2.gz CAGSCESWFUGREB-HNNXBMFYSA-N 1 1 408.401 4.120 20 5 HIBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000485045171 900379833 /nfs/dbraw/zinc/37/98/33/900379833.db2.gz YWXGHXFDHKYPSG-CQSZACIVSA-N 1 1 412.446 4.245 20 5 HIBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000485045171 900379841 /nfs/dbraw/zinc/37/98/41/900379841.db2.gz YWXGHXFDHKYPSG-CQSZACIVSA-N 1 1 412.446 4.245 20 5 HIBDMO CSc1cccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000485494049 900784279 /nfs/dbraw/zinc/78/42/79/900784279.db2.gz RDGDNNBUXZDWSZ-MRXNPFEDSA-N 1 1 405.564 4.433 20 5 HIBDMO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000485881670 901118018 /nfs/dbraw/zinc/11/80/18/901118018.db2.gz GHPLNCHEGDUZGH-RDJZCZTQSA-N 1 1 417.456 4.100 20 5 HIBDMO CSc1cccc(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000486237145 901419320 /nfs/dbraw/zinc/41/93/20/901419320.db2.gz WVZLTEMUFNRLPU-GJZGRUSLSA-N 1 1 415.515 4.178 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1SC ZINC000505906924 914549362 /nfs/dbraw/zinc/54/93/62/914549362.db2.gz QHXGOSZKCRGLTC-CVEARBPZSA-N 1 1 421.563 4.052 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488458396 902835141 /nfs/dbraw/zinc/83/51/41/902835141.db2.gz BZGDFZYJNMVWMY-DNVCBOLYSA-N 1 1 409.511 4.450 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000489914242 903670444 /nfs/dbraw/zinc/67/04/44/903670444.db2.gz ASEKAJKIWHXENO-MJGOQNOKSA-N 1 1 416.909 4.228 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000489914242 903670452 /nfs/dbraw/zinc/67/04/52/903670452.db2.gz ASEKAJKIWHXENO-MJGOQNOKSA-N 1 1 416.909 4.228 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000489914240 903670637 /nfs/dbraw/zinc/67/06/37/903670637.db2.gz ASEKAJKIWHXENO-HKUYNNGSSA-N 1 1 416.909 4.228 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000489914240 903670643 /nfs/dbraw/zinc/67/06/43/903670643.db2.gz ASEKAJKIWHXENO-HKUYNNGSSA-N 1 1 416.909 4.228 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000489936600 903686837 /nfs/dbraw/zinc/68/68/37/903686837.db2.gz RZEQRRUGBOAJMM-MRXNPFEDSA-N 1 1 401.532 4.347 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490797047 904242794 /nfs/dbraw/zinc/24/27/94/904242794.db2.gz NNFINDGSVWLDCN-AEFFLSMTSA-N 1 1 413.543 4.347 20 5 HIBDMO CCC1(CO)CC[NH+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000491232351 904492418 /nfs/dbraw/zinc/49/24/18/904492418.db2.gz LGZVIALSRANMLS-NRFANRHFSA-N 1 1 411.502 4.068 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000491423154 904588270 /nfs/dbraw/zinc/58/82/70/904588270.db2.gz LEDMVNOFPWLZPE-GHTZIAJQSA-N 1 1 422.529 4.322 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1N1CCOCC1 ZINC000506149020 914825329 /nfs/dbraw/zinc/82/53/29/914825329.db2.gz VRDRMLGMCQDFHG-UHFFFAOYSA-N 1 1 407.470 4.323 20 5 HIBDMO CCOc1cc(C[N@@H+](Cc2cccc(OC)c2)C2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000492763661 904900031 /nfs/dbraw/zinc/90/00/31/904900031.db2.gz AWKHKWMDUPDIJV-UHFFFAOYSA-N 1 1 414.502 4.308 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492960437 904968238 /nfs/dbraw/zinc/96/82/38/904968238.db2.gz MGMFJAGYKMHKMK-ICSRJNTNSA-N 1 1 410.518 4.128 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000493104593 905019851 /nfs/dbraw/zinc/01/98/51/905019851.db2.gz JSERTRANJHEFQT-KRWDZBQOSA-N 1 1 414.481 4.021 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000493104593 905019872 /nfs/dbraw/zinc/01/98/72/905019872.db2.gz JSERTRANJHEFQT-KRWDZBQOSA-N 1 1 414.481 4.021 20 5 HIBDMO COc1ccc(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000493683648 905193385 /nfs/dbraw/zinc/19/33/85/905193385.db2.gz FHTZUNDICIDKNC-UHFFFAOYSA-N 1 1 416.808 4.199 20 5 HIBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@@H]21 ZINC000493928082 905279446 /nfs/dbraw/zinc/27/94/46/905279446.db2.gz QNDZPCQNWGMQTN-JXFKEZNVSA-N 1 1 411.527 4.302 20 5 HIBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512408118 921141382 /nfs/dbraw/zinc/14/13/82/921141382.db2.gz ASWPSZQLYBTBDG-HXUWFJFHSA-N 1 1 424.545 4.491 20 5 HIBDMO C[C@H]1[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000494069340 905406054 /nfs/dbraw/zinc/40/60/54/905406054.db2.gz OJQWDYQQXQKNKW-UWJYYQICSA-N 1 1 416.481 4.050 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512428055 921155489 /nfs/dbraw/zinc/15/54/89/921155489.db2.gz OWFXKGVUHBSNLX-ZXYDQQDNSA-N 1 1 408.502 4.450 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)c2C1 ZINC000494480606 905761798 /nfs/dbraw/zinc/76/17/98/905761798.db2.gz WOVWSENXGPVAIT-UHFFFAOYSA-N 1 1 405.458 4.004 20 5 HIBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000495202299 906305569 /nfs/dbraw/zinc/30/55/69/906305569.db2.gz QTGVSCKVVPKVEH-QFIPXVFZSA-N 1 1 410.495 4.268 20 5 HIBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498718085 908143705 /nfs/dbraw/zinc/14/37/05/908143705.db2.gz BKOXNVXWJZPLDK-CQSZACIVSA-N 1 1 403.866 4.207 20 5 HIBDMO COc1cccc(C2(F)CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c1 ZINC000500172405 909662505 /nfs/dbraw/zinc/66/25/05/909662505.db2.gz ZOCQQBPGPWTEKB-UHFFFAOYSA-N 1 1 412.421 4.114 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)c1ccccc1 ZINC000513056694 921513817 /nfs/dbraw/zinc/51/38/17/921513817.db2.gz KIFWFADJDUIWSK-SFHVURJKSA-N 1 1 419.481 4.497 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513153751 921587600 /nfs/dbraw/zinc/58/76/00/921587600.db2.gz LMEWBNRASGDBNI-OAQYLSRUSA-N 1 1 422.485 4.216 20 5 HIBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329053 911306803 /nfs/dbraw/zinc/30/68/03/911306803.db2.gz DBFGPZHRAHTOBE-MAUKXSAKSA-N 1 1 411.506 4.387 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000502789639 911812247 /nfs/dbraw/zinc/81/22/47/911812247.db2.gz ATPFRTQQJQSIBO-CQSZACIVSA-N 1 1 419.572 4.335 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000502789639 911812252 /nfs/dbraw/zinc/81/22/52/911812252.db2.gz ATPFRTQQJQSIBO-CQSZACIVSA-N 1 1 419.572 4.335 20 5 HIBDMO Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cn2cc[nH+]c12 ZINC000502873819 911876906 /nfs/dbraw/zinc/87/69/06/911876906.db2.gz YBNNSXXHEYGMQI-UHFFFAOYSA-N 1 1 404.376 4.168 20 5 HIBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000506295960 914890725 /nfs/dbraw/zinc/89/07/25/914890725.db2.gz VUMRSDLZJGLCKN-LBPRGKRZSA-N 1 1 423.263 4.002 20 5 HIBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000506706812 915383833 /nfs/dbraw/zinc/38/38/33/915383833.db2.gz IBYHVAKWDKPIMX-OAQYLSRUSA-N 1 1 422.485 4.350 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513434850 921803837 /nfs/dbraw/zinc/80/38/37/921803837.db2.gz NHRUUXOIHJVUNK-IBGZPJMESA-N 1 1 406.442 4.061 20 5 HIBDMO CNC(=O)c1ccc(NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000507105853 915872123 /nfs/dbraw/zinc/87/21/23/915872123.db2.gz WTTGWRJEPFPIQY-CALCHBBNSA-N 1 1 410.518 4.044 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507182301 915928788 /nfs/dbraw/zinc/92/87/88/915928788.db2.gz UKDRKKHTRFODOV-INIZCTEOSA-N 1 1 408.458 4.141 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507198501 915947198 /nfs/dbraw/zinc/94/71/98/915947198.db2.gz XFQIQERTQOUKQI-UHFFFAOYSA-N 1 1 408.458 4.061 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507198501 915947204 /nfs/dbraw/zinc/94/72/04/915947204.db2.gz XFQIQERTQOUKQI-UHFFFAOYSA-N 1 1 408.458 4.061 20 5 HIBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000508454613 917238611 /nfs/dbraw/zinc/23/86/11/917238611.db2.gz ILSBWEMOMFFIDY-SFHVURJKSA-N 1 1 401.532 4.482 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000509348775 918014266 /nfs/dbraw/zinc/01/42/66/918014266.db2.gz TVTLDFPUNPCNIJ-CYBMUJFWSA-N 1 1 418.375 4.442 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000509348775 918014286 /nfs/dbraw/zinc/01/42/86/918014286.db2.gz TVTLDFPUNPCNIJ-CYBMUJFWSA-N 1 1 418.375 4.442 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000509355348 918018815 /nfs/dbraw/zinc/01/88/15/918018815.db2.gz CHQBWPCQJSEBLN-UYZDIKGJSA-N 1 1 400.866 4.007 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000509355349 918019745 /nfs/dbraw/zinc/01/97/45/918019745.db2.gz CHQBWPCQJSEBLN-WUTVXBCWSA-N 1 1 400.866 4.007 20 5 HIBDMO Cn1cc(C[N@@H+](C)Cc2cc(Br)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509419094 918079560 /nfs/dbraw/zinc/07/95/60/918079560.db2.gz MMHXITPIRGROOZ-UHFFFAOYSA-N 1 1 421.320 4.451 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000509640823 918281759 /nfs/dbraw/zinc/28/17/59/918281759.db2.gz NYFKUNACSYWTAA-QFIPXVFZSA-N 1 1 424.545 4.079 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000509763167 918377467 /nfs/dbraw/zinc/37/74/67/918377467.db2.gz QISNAHJCHUEFRH-RXVVDRJESA-N 1 1 410.518 4.350 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509780671 918392386 /nfs/dbraw/zinc/39/23/86/918392386.db2.gz DVRVUZDKFZQMOS-HDICACEKSA-N 1 1 404.555 4.271 20 5 HIBDMO CC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC)c(OC)c1 ZINC000510189529 918739178 /nfs/dbraw/zinc/73/91/78/918739178.db2.gz AJPYXJUSBSYXSU-GUYCJALGSA-N 1 1 412.446 4.464 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000510818094 919294625 /nfs/dbraw/zinc/29/46/25/919294625.db2.gz SSTXWOCMKQXBQT-FQEVSTJZSA-N 1 1 410.499 4.214 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000510818094 919294647 /nfs/dbraw/zinc/29/46/47/919294647.db2.gz SSTXWOCMKQXBQT-FQEVSTJZSA-N 1 1 410.499 4.214 20 5 HIBDMO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511110945 919722910 /nfs/dbraw/zinc/72/29/10/919722910.db2.gz WMZNGGJSXOTFEG-INIZCTEOSA-N 1 1 416.547 4.280 20 5 HIBDMO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511110945 919722925 /nfs/dbraw/zinc/72/29/25/919722925.db2.gz WMZNGGJSXOTFEG-INIZCTEOSA-N 1 1 416.547 4.280 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000512007421 920778543 /nfs/dbraw/zinc/77/85/43/920778543.db2.gz ICADAKNXYROPBB-MRXNPFEDSA-N 1 1 406.486 4.381 20 5 HIBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000512078640 920842976 /nfs/dbraw/zinc/84/29/76/920842976.db2.gz UXIGOQYWFQSLQP-DYESRHJHSA-N 1 1 410.518 4.256 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178783 920917997 /nfs/dbraw/zinc/91/79/97/920917997.db2.gz KIZPLCBUZXVFIF-OALUTQOASA-N 1 1 411.550 4.082 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCO)[C@@H]3CCCc4ccccc43)o2)c1 ZINC000512366582 921108573 /nfs/dbraw/zinc/10/85/73/921108573.db2.gz DAXLLMMHQCKWIG-OAQYLSRUSA-N 1 1 407.470 4.164 20 5 HIBDMO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000513444396 921810951 /nfs/dbraw/zinc/81/09/51/921810951.db2.gz VDHIGWRGAWIQGJ-OAHLLOKOSA-N 1 1 420.307 4.286 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CCN(C2CC2)C1 ZINC000513444396 921810955 /nfs/dbraw/zinc/81/09/55/921810955.db2.gz VDHIGWRGAWIQGJ-OAHLLOKOSA-N 1 1 420.307 4.286 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CCN(C2CC2)C1 ZINC000513444396 921810963 /nfs/dbraw/zinc/81/09/63/921810963.db2.gz VDHIGWRGAWIQGJ-OAHLLOKOSA-N 1 1 420.307 4.286 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513491464 921843948 /nfs/dbraw/zinc/84/39/48/921843948.db2.gz UCOXVIPTXLXXMI-IBGZPJMESA-N 1 1 400.475 4.041 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+](CCCO)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000514634437 922736585 /nfs/dbraw/zinc/73/65/85/922736585.db2.gz IAWZKEPHCKCMCD-UHFFFAOYSA-N 1 1 406.486 4.142 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@@H+](CCCO)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000514634437 922736598 /nfs/dbraw/zinc/73/65/98/922736598.db2.gz IAWZKEPHCKCMCD-UHFFFAOYSA-N 1 1 406.486 4.142 20 5 HIBDMO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000514977543 922864317 /nfs/dbraw/zinc/86/43/17/922864317.db2.gz QZKGHQYFWGJTFY-QGZVFWFLSA-N 1 1 400.397 4.309 20 5 HIBDMO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000514977543 922864319 /nfs/dbraw/zinc/86/43/19/922864319.db2.gz QZKGHQYFWGJTFY-QGZVFWFLSA-N 1 1 400.397 4.309 20 5 HIBDMO COC(=O)c1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc([N+](=O)[O-])c1 ZINC000515574137 923189981 /nfs/dbraw/zinc/18/99/81/923189981.db2.gz LUMYPBZKOPPSGU-OAHLLOKOSA-N 1 1 411.458 4.008 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000517539796 924253335 /nfs/dbraw/zinc/25/33/35/924253335.db2.gz ATOAAFCCFCBBAM-SFHVURJKSA-N 1 1 410.518 4.011 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000517875312 926871240 /nfs/dbraw/zinc/87/12/40/926871240.db2.gz ARVJVJZTQVZZCV-GOSISDBHSA-N 1 1 411.502 4.055 20 5 HIBDMO COc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000518808043 927504901 /nfs/dbraw/zinc/50/49/01/927504901.db2.gz XLGBOWNXENTZRU-SFHVURJKSA-N 1 1 417.893 4.041 20 5 HIBDMO COc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000518808043 927504911 /nfs/dbraw/zinc/50/49/11/927504911.db2.gz XLGBOWNXENTZRU-SFHVURJKSA-N 1 1 417.893 4.041 20 5 HIBDMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000519692511 928050882 /nfs/dbraw/zinc/05/08/82/928050882.db2.gz ANMGCYFZYNOILD-CQSZACIVSA-N 1 1 405.882 4.067 20 5 HIBDMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000519692511 928050896 /nfs/dbraw/zinc/05/08/96/928050896.db2.gz ANMGCYFZYNOILD-CQSZACIVSA-N 1 1 405.882 4.067 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000520292100 928454541 /nfs/dbraw/zinc/45/45/41/928454541.db2.gz WNPJFDCIBJSEMY-KRWDZBQOSA-N 1 1 405.857 4.172 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000520292100 928454561 /nfs/dbraw/zinc/45/45/61/928454561.db2.gz WNPJFDCIBJSEMY-KRWDZBQOSA-N 1 1 405.857 4.172 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000520564587 928644812 /nfs/dbraw/zinc/64/48/12/928644812.db2.gz BKCDZIYSTISKOG-QGZVFWFLSA-N 1 1 413.522 4.080 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC[N@H+]4CCCC[C@H]34)o2)c(Br)c1 ZINC000520949714 928885899 /nfs/dbraw/zinc/88/58/99/928885899.db2.gz NIEDXKVNRWPGMS-QZTJIDSGSA-N 1 1 420.307 4.334 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCN4CCCC[C@H]34)o2)c(Br)c1 ZINC000520949714 928885903 /nfs/dbraw/zinc/88/59/03/928885903.db2.gz NIEDXKVNRWPGMS-QZTJIDSGSA-N 1 1 420.307 4.334 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000521240429 929074558 /nfs/dbraw/zinc/07/45/58/929074558.db2.gz RHAWCXABZXTHDJ-JKSUJKDBSA-N 1 1 415.515 4.107 20 5 HIBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000521248857 929079917 /nfs/dbraw/zinc/07/99/17/929079917.db2.gz DXCHDJCIOWMYQA-YOEHRIQHSA-N 1 1 415.877 4.027 20 5 HIBDMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000525179221 930077841 /nfs/dbraw/zinc/07/78/41/930077841.db2.gz YLUGEUOVJAPTDN-UHFFFAOYSA-N 1 1 401.466 4.186 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355023 930193168 /nfs/dbraw/zinc/19/31/68/930193168.db2.gz QVEMNGDTSCAZKF-TZIWHRDSSA-N 1 1 416.566 4.214 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1cccs1 ZINC000525556060 930323856 /nfs/dbraw/zinc/32/38/56/930323856.db2.gz QBSJAFBOUZTOGO-LIRRHRJNSA-N 1 1 407.923 4.052 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1cccs1 ZINC000525556059 930324131 /nfs/dbraw/zinc/32/41/31/930324131.db2.gz QBSJAFBOUZTOGO-KUHUBIRLSA-N 1 1 407.923 4.052 20 5 HIBDMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000530671073 930793765 /nfs/dbraw/zinc/79/37/65/930793765.db2.gz GSMHLJBENLWSHC-NRFANRHFSA-N 1 1 411.458 4.064 20 5 HIBDMO C[N@@H+](Cc1ccccc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000531149055 930945734 /nfs/dbraw/zinc/94/57/34/930945734.db2.gz DCDRWSSRJNUHLD-UHFFFAOYSA-N 1 1 422.529 4.361 20 5 HIBDMO COc1cc(CN[C@@H]2CCCc3c[nH]nc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531699131 931162353 /nfs/dbraw/zinc/16/23/53/931162353.db2.gz SRTJIRGXICSVAE-LJQANCHMSA-N 1 1 408.458 4.073 20 5 HIBDMO COc1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531699131 931162360 /nfs/dbraw/zinc/16/23/60/931162360.db2.gz SRTJIRGXICSVAE-LJQANCHMSA-N 1 1 408.458 4.073 20 5 HIBDMO CCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1ccccc1C ZINC000532469133 931449561 /nfs/dbraw/zinc/44/95/61/931449561.db2.gz QNRJEYFIXSWXKX-UHFFFAOYSA-N 1 1 422.485 4.451 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000532580740 931538846 /nfs/dbraw/zinc/53/88/46/931538846.db2.gz RODNXRRTJZOXHD-HIFRSBDPSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000532580740 931538857 /nfs/dbraw/zinc/53/88/57/931538857.db2.gz RODNXRRTJZOXHD-HIFRSBDPSA-N 1 1 403.866 4.073 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)s2)cc1 ZINC000532628223 931560043 /nfs/dbraw/zinc/56/00/43/931560043.db2.gz BWUSUJGMLVKJRL-RTWAWAEBSA-N 1 1 415.559 4.181 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)s2)cc1 ZINC000532628222 931560578 /nfs/dbraw/zinc/56/05/78/931560578.db2.gz BWUSUJGMLVKJRL-NHCUHLMSSA-N 1 1 415.559 4.181 20 5 HIBDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893996 931682998 /nfs/dbraw/zinc/68/29/98/931682998.db2.gz ULXJSQPGAUUHIK-KDOFPFPSSA-N 1 1 411.458 4.274 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000532981422 931724997 /nfs/dbraw/zinc/72/49/97/931724997.db2.gz IDVMIDWLAZYBBY-DZGCQCFKSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000532981422 931725002 /nfs/dbraw/zinc/72/50/02/931725002.db2.gz IDVMIDWLAZYBBY-DZGCQCFKSA-N 1 1 403.866 4.073 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000533284496 931827452 /nfs/dbraw/zinc/82/74/52/931827452.db2.gz KKQXTDFWGCVNDP-SFHVURJKSA-N 1 1 407.426 4.358 20 5 HIBDMO C[C@@H]1SCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000533289319 931828840 /nfs/dbraw/zinc/82/88/40/931828840.db2.gz DOSPYXKUASYOFN-YWZLYKJASA-N 1 1 413.499 4.071 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000533334132 931841016 /nfs/dbraw/zinc/84/10/16/931841016.db2.gz NQQIIDWMGQBFBO-OAHLLOKOSA-N 1 1 410.499 4.331 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000533334132 931841017 /nfs/dbraw/zinc/84/10/17/931841017.db2.gz NQQIIDWMGQBFBO-OAHLLOKOSA-N 1 1 410.499 4.331 20 5 HIBDMO CC(C)c1nc([C@@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)no1 ZINC000533404707 931859485 /nfs/dbraw/zinc/85/94/85/931859485.db2.gz RFGXVBFLBQAYOT-MRXNPFEDSA-N 1 1 411.462 4.178 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480533 931879714 /nfs/dbraw/zinc/87/97/14/931879714.db2.gz OIDVEYJRVRJPFK-CQSZACIVSA-N 1 1 416.441 4.371 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480533 931879717 /nfs/dbraw/zinc/87/97/17/931879717.db2.gz OIDVEYJRVRJPFK-CQSZACIVSA-N 1 1 416.441 4.371 20 5 HIBDMO COc1ccc([C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2OC)cc1 ZINC000533563495 931901699 /nfs/dbraw/zinc/90/16/99/931901699.db2.gz ADFZZHQIYOWEHV-QHCPKHFHSA-N 1 1 408.454 4.500 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000533975957 932153591 /nfs/dbraw/zinc/15/35/91/932153591.db2.gz VZFOQAAVIAXABY-KRWDZBQOSA-N 1 1 412.534 4.122 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534122532 932289048 /nfs/dbraw/zinc/28/90/48/932289048.db2.gz QDIKVVKDKMVZHN-GOSISDBHSA-N 1 1 406.486 4.346 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534228268 932347545 /nfs/dbraw/zinc/34/75/45/932347545.db2.gz HMHKBGXPMWOZGO-LIRRHRJNSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)nc2c1 ZINC000534951369 932854797 /nfs/dbraw/zinc/85/47/97/932854797.db2.gz BEONOWMLYZCFCT-MRXNPFEDSA-N 1 1 418.457 4.209 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)[nH]c2c1 ZINC000534951369 932854798 /nfs/dbraw/zinc/85/47/98/932854798.db2.gz BEONOWMLYZCFCT-MRXNPFEDSA-N 1 1 418.457 4.209 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)[nH]c2c1 ZINC000534951369 932854802 /nfs/dbraw/zinc/85/48/02/932854802.db2.gz BEONOWMLYZCFCT-MRXNPFEDSA-N 1 1 418.457 4.209 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000535397830 933114914 /nfs/dbraw/zinc/11/49/14/933114914.db2.gz PEHXEVHVZMVUOE-FXAWDEMLSA-N 1 1 420.513 4.130 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000535577481 933251560 /nfs/dbraw/zinc/25/15/60/933251560.db2.gz XWVAZDLAVSHZJV-TZIWHRDSSA-N 1 1 416.909 4.002 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000535577481 933251568 /nfs/dbraw/zinc/25/15/68/933251568.db2.gz XWVAZDLAVSHZJV-TZIWHRDSSA-N 1 1 416.909 4.002 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535675958 933324347 /nfs/dbraw/zinc/32/43/47/933324347.db2.gz MOYFSXCMSKQGJO-UHFFFAOYSA-N 1 1 424.501 4.123 20 5 HIBDMO Cc1c(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cccc1[N+](=O)[O-] ZINC000535679031 933329851 /nfs/dbraw/zinc/32/98/51/933329851.db2.gz DZMAGLDNRHQGHG-UHFFFAOYSA-N 1 1 408.502 4.423 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537646613 938345318 /nfs/dbraw/zinc/34/53/18/938345318.db2.gz DUULYDHBJRWCDM-JZLODUJNSA-N 1 1 413.440 4.121 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000537813380 938382933 /nfs/dbraw/zinc/38/29/33/938382933.db2.gz MABULOZXACDCSQ-UHFFFAOYSA-N 1 1 405.564 4.291 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000538169030 938533609 /nfs/dbraw/zinc/53/36/09/938533609.db2.gz AYYIJHXFLIRUFP-LJQANCHMSA-N 1 1 423.444 4.391 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000538332400 938595546 /nfs/dbraw/zinc/59/55/46/938595546.db2.gz IFJNDCQMHDOQCA-UHFFFAOYSA-N 1 1 423.469 4.149 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000538332400 938595547 /nfs/dbraw/zinc/59/55/47/938595547.db2.gz IFJNDCQMHDOQCA-UHFFFAOYSA-N 1 1 423.469 4.149 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538602825 938659607 /nfs/dbraw/zinc/65/96/07/938659607.db2.gz ZRBVCSKLHYCIAW-FPOVZHCZSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538602825 938659609 /nfs/dbraw/zinc/65/96/09/938659609.db2.gz ZRBVCSKLHYCIAW-FPOVZHCZSA-N 1 1 419.884 4.270 20 5 HIBDMO Cn1cc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538751237 938702272 /nfs/dbraw/zinc/70/22/72/938702272.db2.gz WSPPOPBSEPRCJH-FQEVSTJZSA-N 1 1 412.877 4.302 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000538763017 938704856 /nfs/dbraw/zinc/70/48/56/938704856.db2.gz YUTKSYKKKFLHBX-AWEZNQCLSA-N 1 1 417.531 4.327 20 5 HIBDMO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539068575 938791884 /nfs/dbraw/zinc/79/18/84/938791884.db2.gz UOKXHIWOXMSABR-FQEVSTJZSA-N 1 1 417.531 4.010 20 5 HIBDMO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000539492004 938867898 /nfs/dbraw/zinc/86/78/98/938867898.db2.gz WVFJMOCXDFWZLE-SFHVURJKSA-N 1 1 414.437 4.367 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1OC ZINC000539897197 938971045 /nfs/dbraw/zinc/97/10/45/938971045.db2.gz ZWXWOKATBFGTRT-ZDUSSCGKSA-N 1 1 415.421 4.272 20 5 HIBDMO CCc1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)on1 ZINC000539930051 938978557 /nfs/dbraw/zinc/97/85/57/938978557.db2.gz FPIWUPCCZLGVQX-UHFFFAOYSA-N 1 1 403.442 4.288 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OCc1ccccc1 ZINC000540424043 939243265 /nfs/dbraw/zinc/24/32/65/939243265.db2.gz YFOQSUSVYPBALN-QGZVFWFLSA-N 1 1 405.454 4.463 20 5 HIBDMO COc1ccc(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541103974 939461404 /nfs/dbraw/zinc/46/14/04/939461404.db2.gz VJCRPNRQCDVGMD-AEFFLSMTSA-N 1 1 412.490 4.026 20 5 HIBDMO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000541123634 939469268 /nfs/dbraw/zinc/46/92/68/939469268.db2.gz ZETAZORTYNHNJS-UHFFFAOYSA-N 1 1 424.284 4.458 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000541193961 939485130 /nfs/dbraw/zinc/48/51/30/939485130.db2.gz AWYPVWVSBQUXMN-NRFANRHFSA-N 1 1 424.888 4.464 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000541282190 939489178 /nfs/dbraw/zinc/48/91/78/939489178.db2.gz MDAGVQULNMBFKL-XOBRGWDASA-N 1 1 416.524 4.105 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000541282190 939489179 /nfs/dbraw/zinc/48/91/79/939489179.db2.gz MDAGVQULNMBFKL-XOBRGWDASA-N 1 1 416.524 4.105 20 5 HIBDMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)cc1 ZINC000541686340 939602140 /nfs/dbraw/zinc/60/21/40/939602140.db2.gz HUWODVWHXACESD-HNNXBMFYSA-N 1 1 423.473 4.195 20 5 HIBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541695998 939607369 /nfs/dbraw/zinc/60/73/69/939607369.db2.gz JHPPYLCHVHJMCM-DNVCBOLYSA-N 1 1 421.856 4.178 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000541786337 939630066 /nfs/dbraw/zinc/63/00/66/939630066.db2.gz LWCSOPCJPHHUGO-RDJZCZTQSA-N 1 1 400.454 4.251 20 5 HIBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890515 939649454 /nfs/dbraw/zinc/64/94/54/939649454.db2.gz NFJAWBBBHUQUMB-IEBWSBKVSA-N 1 1 406.486 4.040 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000542631483 939850500 /nfs/dbraw/zinc/85/05/00/939850500.db2.gz DIFONTBICBUCHS-GHTZIAJQSA-N 1 1 415.465 4.223 20 5 HIBDMO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(Cc2ccccc2)no1 ZINC000543538043 940098042 /nfs/dbraw/zinc/09/80/42/940098042.db2.gz GNGBLOLDDZFZCB-OAHLLOKOSA-N 1 1 419.441 4.117 20 5 HIBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580792 940118114 /nfs/dbraw/zinc/11/81/14/940118114.db2.gz FJNWHOUTFLGMEK-LIRRHRJNSA-N 1 1 403.548 4.090 20 5 HIBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000543623744 940138948 /nfs/dbraw/zinc/13/89/48/940138948.db2.gz JRIYACVINYEBAT-INIZCTEOSA-N 1 1 411.437 4.332 20 5 HIBDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n1 ZINC000543623744 940138954 /nfs/dbraw/zinc/13/89/54/940138954.db2.gz JRIYACVINYEBAT-INIZCTEOSA-N 1 1 411.437 4.332 20 5 HIBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n1 ZINC000543623744 940138963 /nfs/dbraw/zinc/13/89/63/940138963.db2.gz JRIYACVINYEBAT-INIZCTEOSA-N 1 1 411.437 4.332 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000543644417 940147727 /nfs/dbraw/zinc/14/77/27/940147727.db2.gz JZADDGWDSDFIPW-UTKZUKDTSA-N 1 1 412.465 4.252 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000544106530 940327972 /nfs/dbraw/zinc/32/79/72/940327972.db2.gz OZTOVTQZSYHSKN-MGPUTAFESA-N 1 1 413.474 4.024 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000544106530 940327978 /nfs/dbraw/zinc/32/79/78/940327978.db2.gz OZTOVTQZSYHSKN-MGPUTAFESA-N 1 1 413.474 4.024 20 5 HIBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)c21 ZINC000544394699 940410796 /nfs/dbraw/zinc/41/07/96/940410796.db2.gz QJENPHSUUDPXLQ-QHCPKHFHSA-N 1 1 403.486 4.031 20 5 HIBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544522676 940470749 /nfs/dbraw/zinc/47/07/49/940470749.db2.gz RLDNLSCRJCFITD-UHFFFAOYSA-N 1 1 402.520 4.202 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)CC1CC1 ZINC000544540961 940475376 /nfs/dbraw/zinc/47/53/76/940475376.db2.gz VRDZAOLDNXXEES-INIZCTEOSA-N 1 1 405.514 4.198 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)cc1OC ZINC000544564446 940480584 /nfs/dbraw/zinc/48/05/84/940480584.db2.gz GIXFKHLHPTWNET-IRXDYDNUSA-N 1 1 406.523 4.419 20 5 HIBDMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 ZINC000544826981 940517884 /nfs/dbraw/zinc/51/78/84/940517884.db2.gz JLERBXUQNKHUJE-LRSLUSHPSA-N 1 1 400.475 4.156 20 5 HIBDMO Nc1ccc(-c2noc([C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)n2)cc1[N+](=O)[O-] ZINC000544930539 940526286 /nfs/dbraw/zinc/52/62/86/940526286.db2.gz FKQWITYULIFBAQ-OAHLLOKOSA-N 1 1 408.462 4.201 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(N4CCc5cc(F)ccc54)CC3)co2)cc1 ZINC000549150306 941165859 /nfs/dbraw/zinc/16/58/59/941165859.db2.gz DUCHPCVRVHZNRZ-UHFFFAOYSA-N 1 1 422.460 4.416 20 5 HIBDMO C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000549173451 941168427 /nfs/dbraw/zinc/16/84/27/941168427.db2.gz XBMUVXLWJIQRBG-QHCPKHFHSA-N 1 1 423.538 4.427 20 5 HIBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2cccn2)c(F)c1 ZINC000550227242 941301605 /nfs/dbraw/zinc/30/16/05/941301605.db2.gz DPJLYQLKTHXYGN-CQSZACIVSA-N 1 1 407.405 4.425 20 5 HIBDMO Cn1ccnc1[C@@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068043 941578573 /nfs/dbraw/zinc/57/85/73/941578573.db2.gz GLHCUOGRIVDVRT-LADGPHEKSA-N 1 1 419.529 4.062 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000552203492 941601914 /nfs/dbraw/zinc/60/19/14/941601914.db2.gz PVVPWTXBJKEGHL-OAHLLOKOSA-N 1 1 423.473 4.239 20 5 HIBDMO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000552203492 941601916 /nfs/dbraw/zinc/60/19/16/941601916.db2.gz PVVPWTXBJKEGHL-OAHLLOKOSA-N 1 1 423.473 4.239 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000552203492 941601917 /nfs/dbraw/zinc/60/19/17/941601917.db2.gz PVVPWTXBJKEGHL-OAHLLOKOSA-N 1 1 423.473 4.239 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000552203491 941601949 /nfs/dbraw/zinc/60/19/49/941601949.db2.gz PVVPWTXBJKEGHL-HNNXBMFYSA-N 1 1 423.473 4.239 20 5 HIBDMO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000552203491 941601950 /nfs/dbraw/zinc/60/19/50/941601950.db2.gz PVVPWTXBJKEGHL-HNNXBMFYSA-N 1 1 423.473 4.239 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000552203491 941601951 /nfs/dbraw/zinc/60/19/51/941601951.db2.gz PVVPWTXBJKEGHL-HNNXBMFYSA-N 1 1 423.473 4.239 20 5 HIBDMO CCC[N@@H+](C)[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000552241984 941611335 /nfs/dbraw/zinc/61/13/35/941611335.db2.gz KJDDGLGUUKXVRQ-LJQANCHMSA-N 1 1 405.882 4.070 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000552247444 941613381 /nfs/dbraw/zinc/61/33/81/941613381.db2.gz PLFKYZFLXNGGNE-JOCHJYFZSA-N 1 1 407.518 4.048 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000553259621 941857674 /nfs/dbraw/zinc/85/76/74/941857674.db2.gz XENRYYAJRGDRBW-UHFFFAOYSA-N 1 1 418.453 4.204 20 5 HIBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000554070266 942028892 /nfs/dbraw/zinc/02/88/92/942028892.db2.gz ODPVXLNLUJEVFO-ROUUACIJSA-N 1 1 409.408 4.043 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000554180898 942059501 /nfs/dbraw/zinc/05/95/01/942059501.db2.gz BESAASUQSDJIEX-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000554180898 942059507 /nfs/dbraw/zinc/05/95/07/942059507.db2.gz BESAASUQSDJIEX-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[NH+]2CCCC2)o1 ZINC000555708530 942707190 /nfs/dbraw/zinc/70/71/90/942707190.db2.gz PXULROASCAXOIE-MRXNPFEDSA-N 1 1 411.380 4.082 20 5 HIBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000556872508 942945843 /nfs/dbraw/zinc/94/58/43/942945843.db2.gz PAVXNPVJGVIXMF-LIRRHRJNSA-N 1 1 400.866 4.128 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000557522337 943189953 /nfs/dbraw/zinc/18/99/53/943189953.db2.gz KBRSTBWERJMCBI-ZDUSSCGKSA-N 1 1 412.412 4.125 20 5 HIBDMO C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000557835354 943308170 /nfs/dbraw/zinc/30/81/70/943308170.db2.gz AMKNLHRQCNIBAU-GOSISDBHSA-N 1 1 422.529 4.153 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000557971712 943343614 /nfs/dbraw/zinc/34/36/14/943343614.db2.gz UJLHUYXULZNICJ-YLJYHZDGSA-N 1 1 416.909 4.131 20 5 HIBDMO Cn1ccnc1[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549906 944251379 /nfs/dbraw/zinc/25/13/79/944251379.db2.gz IOJXHSHDOMCYJH-VWNXMTODSA-N 1 1 419.529 4.062 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000561350177 944559568 /nfs/dbraw/zinc/55/95/68/944559568.db2.gz IMCHFNHIZORTFR-AWEZNQCLSA-N 1 1 409.408 4.424 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000561350177 944559572 /nfs/dbraw/zinc/55/95/72/944559572.db2.gz IMCHFNHIZORTFR-AWEZNQCLSA-N 1 1 409.408 4.424 20 5 HIBDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000564311440 945510383 /nfs/dbraw/zinc/51/03/83/945510383.db2.gz XIBSKNWSZSBSGT-FQEVSTJZSA-N 1 1 422.485 4.047 20 5 HIBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Oc2cccnc2)cc1 ZINC000565768075 945881179 /nfs/dbraw/zinc/88/11/79/945881179.db2.gz QEZGQJJXOZNEFN-OAHLLOKOSA-N 1 1 407.426 4.499 20 5 HIBDMO CCc1cccc2c(CC[NH2+][C@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000566001249 945969476 /nfs/dbraw/zinc/96/94/76/945969476.db2.gz OUGSIBACWSOGAV-QFIPXVFZSA-N 1 1 403.486 4.294 20 5 HIBDMO Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)nc12 ZINC000568736337 946674474 /nfs/dbraw/zinc/67/44/74/946674474.db2.gz MWSXBJSATZWXQJ-ZDUSSCGKSA-N 1 1 403.280 4.473 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571587625 947717404 /nfs/dbraw/zinc/71/74/04/947717404.db2.gz WEWVPVOHHUOBBM-RTWAWAEBSA-N 1 1 412.486 4.326 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)C1CC1 ZINC000571966678 947824008 /nfs/dbraw/zinc/82/40/08/947824008.db2.gz UFEJBDPTBHEJIQ-UHFFFAOYSA-N 1 1 406.486 4.033 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000572426180 947899866 /nfs/dbraw/zinc/89/98/66/947899866.db2.gz XCYYNCQDXOMTGG-UHFFFAOYSA-N 1 1 407.474 4.127 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000572426180 947899867 /nfs/dbraw/zinc/89/98/67/947899867.db2.gz XCYYNCQDXOMTGG-UHFFFAOYSA-N 1 1 407.474 4.127 20 5 HIBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000573251798 948122161 /nfs/dbraw/zinc/12/21/61/948122161.db2.gz YWPCTYAUQRCFDB-UHFFFAOYSA-N 1 1 412.202 4.117 20 5 HIBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000574183948 948381039 /nfs/dbraw/zinc/38/10/39/948381039.db2.gz QSRAYMYOJOPGPA-INIZCTEOSA-N 1 1 405.564 4.433 20 5 HIBDMO COc1ccc(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000575914977 948781152 /nfs/dbraw/zinc/78/11/52/948781152.db2.gz ATURXCXJTMJICP-INIZCTEOSA-N 1 1 417.893 4.150 20 5 HIBDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000575914977 948781184 /nfs/dbraw/zinc/78/11/84/948781184.db2.gz ATURXCXJTMJICP-INIZCTEOSA-N 1 1 417.893 4.150 20 5 HIBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164619784 719069502 /nfs/dbraw/zinc/06/95/02/719069502.db2.gz COPRVYAQLBJOTO-OXQOHEQNSA-N 1 1 423.904 4.292 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC001164626143 719103306 /nfs/dbraw/zinc/10/33/06/719103306.db2.gz IGNMGVUPKKSGDD-WMZHIEFXSA-N 1 1 415.497 4.153 20 5 HIBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164652022 719317467 /nfs/dbraw/zinc/31/74/67/719317467.db2.gz IZQFRZNJRFSCDE-UHFFFAOYSA-N 1 1 420.517 4.059 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc(C)c2[N+](=O)[O-])CC3)cs1 ZINC001164694085 719806622 /nfs/dbraw/zinc/80/66/22/719806622.db2.gz UOTCKLMRUCLPNT-UHFFFAOYSA-N 1 1 421.954 4.352 20 5 HIBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728287 720479977 /nfs/dbraw/zinc/47/99/77/720479977.db2.gz OYIYTEHZTCXLCX-QZTJIDSGSA-N 1 1 409.877 4.045 20 5 HIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953223 722016951 /nfs/dbraw/zinc/01/69/51/722016951.db2.gz UAMCZCKUOKLJKF-UHFFFAOYSA-N 1 1 422.316 4.184 20 5 HIBDMO C[N@@H+](CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000435935478 861198185 /nfs/dbraw/zinc/19/81/85/861198185.db2.gz JLKJKCVLJHMKPF-UHFFFAOYSA-N 1 1 417.484 4.072 20 5 HIBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436310027 861613945 /nfs/dbraw/zinc/61/39/45/861613945.db2.gz GKPDSBAKHRSXRA-UHFFFAOYSA-N 1 1 409.505 4.157 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000015358629 846040039 /nfs/dbraw/zinc/04/00/39/846040039.db2.gz PXZHXHRSPXZRMV-HXUWFJFHSA-N 1 1 415.446 4.122 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000025181714 846937667 /nfs/dbraw/zinc/93/76/67/846937667.db2.gz TXZMVZUFAXPOIC-FZKQIMNGSA-N 1 1 407.923 4.148 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000026214295 847103953 /nfs/dbraw/zinc/10/39/53/847103953.db2.gz SZPMPPAXABBDSX-ZDUSSCGKSA-N 1 1 406.280 4.125 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000026214295 847103959 /nfs/dbraw/zinc/10/39/59/847103959.db2.gz SZPMPPAXABBDSX-ZDUSSCGKSA-N 1 1 406.280 4.125 20 5 HIBDMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2c1 ZINC000026259806 847115650 /nfs/dbraw/zinc/11/56/50/847115650.db2.gz HQJAJSITUIGSKM-UHFFFAOYSA-N 1 1 423.469 4.226 20 5 HIBDMO CCOc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026264103 847116723 /nfs/dbraw/zinc/11/67/23/847116723.db2.gz BDGVHQGXZDIMLA-HXUWFJFHSA-N 1 1 413.474 4.168 20 5 HIBDMO C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349434 847131125 /nfs/dbraw/zinc/13/11/25/847131125.db2.gz FOTUJWPXNFSLAH-JOCHJYFZSA-N 1 1 409.511 4.384 20 5 HIBDMO CC[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000029909781 847647858 /nfs/dbraw/zinc/64/78/58/847647858.db2.gz NAXHKGRLIPXNMR-QFBILLFUSA-N 1 1 413.543 4.029 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000031053760 847815189 /nfs/dbraw/zinc/81/51/89/847815189.db2.gz LEECGDJOEHYSAO-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000032730212 848069147 /nfs/dbraw/zinc/06/91/47/848069147.db2.gz TZXDWIYOKZYVBE-MSOLQXFVSA-N 1 1 410.518 4.200 20 5 HIBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000046583430 848878943 /nfs/dbraw/zinc/87/89/43/848878943.db2.gz TVFGHZGUXNYOIA-UHFFFAOYSA-N 1 1 423.391 4.225 20 5 HIBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000046583430 848878946 /nfs/dbraw/zinc/87/89/46/848878946.db2.gz TVFGHZGUXNYOIA-UHFFFAOYSA-N 1 1 423.391 4.225 20 5 HIBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133552 849435931 /nfs/dbraw/zinc/43/59/31/849435931.db2.gz PGXWCHJGIYSUNC-WIYYLYMNSA-N 1 1 408.458 4.245 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3cscn3)CC2)s1 ZINC000051916479 849528657 /nfs/dbraw/zinc/52/86/57/849528657.db2.gz JSXTZFAMGLXXCR-UHFFFAOYSA-N 1 1 400.529 4.098 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cc(Br)cs1 ZINC000052847949 849633003 /nfs/dbraw/zinc/63/30/03/849633003.db2.gz AVBJXDTUXLHSLQ-UHFFFAOYSA-N 1 1 412.309 4.188 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C2CC2)cc1 ZINC000052867096 849636035 /nfs/dbraw/zinc/63/60/35/849636035.db2.gz SKUNCUVWKTYMOM-HNNXBMFYSA-N 1 1 408.458 4.454 20 5 HIBDMO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000055941514 850210949 /nfs/dbraw/zinc/21/09/49/850210949.db2.gz IHPSGIVCYGDKNH-KSFYIVLOSA-N 1 1 405.454 4.310 20 5 HIBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000056407726 850352563 /nfs/dbraw/zinc/35/25/63/850352563.db2.gz DJLKGQZXDREPPT-UHFFFAOYSA-N 1 1 412.877 4.078 20 5 HIBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000056407726 850352572 /nfs/dbraw/zinc/35/25/72/850352572.db2.gz DJLKGQZXDREPPT-UHFFFAOYSA-N 1 1 412.877 4.078 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000058952494 850966516 /nfs/dbraw/zinc/96/65/16/850966516.db2.gz VQMWTXUTCHZASM-KRWDZBQOSA-N 1 1 413.543 4.378 20 5 HIBDMO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437013480 862191909 /nfs/dbraw/zinc/19/19/09/862191909.db2.gz QRXLTHLEIHLENG-GOSISDBHSA-N 1 1 421.419 4.350 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000060371675 851080543 /nfs/dbraw/zinc/08/05/43/851080543.db2.gz FQIGIQCSGGOAKX-GOSISDBHSA-N 1 1 411.355 4.127 20 5 HIBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000437058716 862255349 /nfs/dbraw/zinc/25/53/49/862255349.db2.gz XPVWWGQYJOURRK-KRWDZBQOSA-N 1 1 409.511 4.404 20 5 HIBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000064736663 851971857 /nfs/dbraw/zinc/97/18/57/851971857.db2.gz NYJJHOJQFZCLMJ-HNNXBMFYSA-N 1 1 404.536 4.304 20 5 HIBDMO COc1cc(C[NH+]2CCC(COc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000065613075 852198225 /nfs/dbraw/zinc/19/82/25/852198225.db2.gz VMAKJBJMZLFTOL-UHFFFAOYSA-N 1 1 422.428 4.496 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)C1 ZINC000065867347 852291743 /nfs/dbraw/zinc/29/17/43/852291743.db2.gz VNGDQGQDNWXDSV-GOSISDBHSA-N 1 1 420.513 4.098 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000071954933 852444903 /nfs/dbraw/zinc/44/49/03/852444903.db2.gz OVJPRYLSNDVWPI-KRWDZBQOSA-N 1 1 422.529 4.474 20 5 HIBDMO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000108468171 852853916 /nfs/dbraw/zinc/85/39/16/852853916.db2.gz VOCSXHCQMTULKK-INIZCTEOSA-N 1 1 416.909 4.227 20 5 HIBDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000108468171 852853918 /nfs/dbraw/zinc/85/39/18/852853918.db2.gz VOCSXHCQMTULKK-INIZCTEOSA-N 1 1 416.909 4.227 20 5 HIBDMO O=C(OCc1cccc([N+](=O)[O-])c1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000110102597 853059930 /nfs/dbraw/zinc/05/99/30/853059930.db2.gz LDPLCOGPYLEZOM-IBGZPJMESA-N 1 1 408.376 4.093 20 5 HIBDMO O=C(C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000110938952 853171450 /nfs/dbraw/zinc/17/14/50/853171450.db2.gz CDQJJBNTANEWPY-UHFFFAOYSA-N 1 1 419.481 4.007 20 5 HIBDMO O=C(C[N@H+](CCCO)C(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000110938952 853171455 /nfs/dbraw/zinc/17/14/55/853171455.db2.gz CDQJJBNTANEWPY-UHFFFAOYSA-N 1 1 419.481 4.007 20 5 HIBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000117336509 853353703 /nfs/dbraw/zinc/35/37/03/853353703.db2.gz VVEUPGDFYPJKFP-HXUWFJFHSA-N 1 1 415.921 4.451 20 5 HIBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000117336512 853354437 /nfs/dbraw/zinc/35/44/37/853354437.db2.gz VVEUPGDFYPJKFP-FQEVSTJZSA-N 1 1 415.921 4.451 20 5 HIBDMO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000437244950 862461089 /nfs/dbraw/zinc/46/10/89/862461089.db2.gz IAJCXLMNPSOSBD-HNNXBMFYSA-N 1 1 421.419 4.350 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000146174751 853565335 /nfs/dbraw/zinc/56/53/35/853565335.db2.gz YXCYJYNPZKHFEH-UHFFFAOYSA-N 1 1 403.801 4.203 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000164574552 853649179 /nfs/dbraw/zinc/64/91/79/853649179.db2.gz BXXOURWWAXSUOX-HSZRJFAPSA-N 1 1 404.470 4.139 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000164574552 853649181 /nfs/dbraw/zinc/64/91/81/853649181.db2.gz BXXOURWWAXSUOX-HSZRJFAPSA-N 1 1 404.470 4.139 20 5 HIBDMO CC[N@@H+]1CCC[C@@H](CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236836595 853927822 /nfs/dbraw/zinc/92/78/22/853927822.db2.gz RIOBHHMORHBROU-IBGZPJMESA-N 1 1 419.529 4.269 20 5 HIBDMO CC[N@H+]1CCC[C@@H](CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236836595 853927826 /nfs/dbraw/zinc/92/78/26/853927826.db2.gz RIOBHHMORHBROU-IBGZPJMESA-N 1 1 419.529 4.269 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2nccn2C(F)F)cc1 ZINC000237683086 854075419 /nfs/dbraw/zinc/07/54/19/854075419.db2.gz QKPFAENTGZBZAO-UHFFFAOYSA-N 1 1 424.411 4.329 20 5 HIBDMO Cc1ccc(-c2nc(C[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000237755989 854090202 /nfs/dbraw/zinc/09/02/02/854090202.db2.gz DWOYPBOSUNXVRR-UHFFFAOYSA-N 1 1 403.442 4.249 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccccc3Cn3cccn3)cs2)c1 ZINC000238008280 854132883 /nfs/dbraw/zinc/13/28/83/854132883.db2.gz ZGKVSPGYHHNQBQ-UHFFFAOYSA-N 1 1 405.483 4.253 20 5 HIBDMO O=C(NC1CC1)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301230839 854335082 /nfs/dbraw/zinc/33/50/82/854335082.db2.gz FHRWRGBOMWROII-SEJPIABJSA-N 1 1 420.513 4.095 20 5 HIBDMO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Br)[NH+]2CCCC2)cc1 ZINC000301512896 854410368 /nfs/dbraw/zinc/41/03/68/854410368.db2.gz DOEHWKYUECPAAX-QGZVFWFLSA-N 1 1 421.295 4.010 20 5 HIBDMO C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)[C@H]1c1cccs1 ZINC000301523902 854412471 /nfs/dbraw/zinc/41/24/71/854412471.db2.gz IDFKZTQHGGECDA-ABAIWWIYSA-N 1 1 411.325 4.309 20 5 HIBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(Br)c1 ZINC000301558027 854420130 /nfs/dbraw/zinc/42/01/30/854420130.db2.gz SUQAUIFZZYOOJG-GFCCVEGCSA-N 1 1 411.325 4.138 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301596539 854426287 /nfs/dbraw/zinc/42/62/87/854426287.db2.gz SLHQHILXVLNSHH-GCJKJVERSA-N 1 1 422.529 4.153 20 5 HIBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301684636 854444791 /nfs/dbraw/zinc/44/47/91/854444791.db2.gz KXDRHXPCJSBNSX-UHFFFAOYSA-N 1 1 419.323 4.101 20 5 HIBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000301687301 854445543 /nfs/dbraw/zinc/44/55/43/854445543.db2.gz MGDUKLBUQVRRNB-LBPRGKRZSA-N 1 1 411.325 4.138 20 5 HIBDMO CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301763382 854461443 /nfs/dbraw/zinc/46/14/43/854461443.db2.gz GNRJSVPWNVTYSC-LAUBAEHRSA-N 1 1 407.518 4.067 20 5 HIBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000302701311 854608292 /nfs/dbraw/zinc/60/82/92/854608292.db2.gz VAQDOQCPQSDJKM-UHFFFAOYSA-N 1 1 402.882 4.072 20 5 HIBDMO CCC(CC)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[NH2+][C@@H](C)c1ccccc1 ZINC000303478457 854974110 /nfs/dbraw/zinc/97/41/10/854974110.db2.gz PLFNQCWZBGMTEV-HNNXBMFYSA-N 1 1 409.490 4.111 20 5 HIBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311045075 855368453 /nfs/dbraw/zinc/36/84/53/855368453.db2.gz FSKSSNVCJRDVCD-HIFRSBDPSA-N 1 1 405.296 4.075 20 5 HIBDMO C[N@@H+](CCc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1)C1CC1 ZINC000409576395 855548818 /nfs/dbraw/zinc/54/88/18/855548818.db2.gz NKHCAZIAXXEYCG-UHFFFAOYSA-N 1 1 424.320 4.308 20 5 HIBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)C[C@@H](C)O1 ZINC000437460885 862823794 /nfs/dbraw/zinc/82/37/94/862823794.db2.gz SISUTQZFJXSSIK-QZTJIDSGSA-N 1 1 423.513 4.009 20 5 HIBDMO CC(C)([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000429229077 857564671 /nfs/dbraw/zinc/56/46/71/857564671.db2.gz GDLOAYMFXFZBLX-UHFFFAOYSA-N 1 1 411.502 4.057 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430097607 858030980 /nfs/dbraw/zinc/03/09/80/858030980.db2.gz UYPZTQMPRUHGRK-LSDHHAIUSA-N 1 1 410.339 4.022 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430097607 858030986 /nfs/dbraw/zinc/03/09/86/858030986.db2.gz UYPZTQMPRUHGRK-LSDHHAIUSA-N 1 1 410.339 4.022 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000430666837 858258743 /nfs/dbraw/zinc/25/87/43/858258743.db2.gz ZQGUOCIMUMTXSC-RHSMWYFYSA-N 1 1 421.419 4.397 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430769525 858297740 /nfs/dbraw/zinc/29/77/40/858297740.db2.gz WCJHESZNLBTAEF-ZOCZFRKYSA-N 1 1 402.516 4.482 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430937092 858375579 /nfs/dbraw/zinc/37/55/79/858375579.db2.gz ZBGKRDFMUZPVNF-UTKZUKDTSA-N 1 1 422.485 4.430 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430937092 858375588 /nfs/dbraw/zinc/37/55/88/858375588.db2.gz ZBGKRDFMUZPVNF-UTKZUKDTSA-N 1 1 422.485 4.430 20 5 HIBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2C1 ZINC000431922204 858871374 /nfs/dbraw/zinc/87/13/74/858871374.db2.gz ZZGIBVVZVBEENE-UHFFFAOYSA-N 1 1 404.264 4.335 20 5 HIBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2C1 ZINC000431922204 858871379 /nfs/dbraw/zinc/87/13/79/858871379.db2.gz ZZGIBVVZVBEENE-UHFFFAOYSA-N 1 1 404.264 4.335 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431945869 858882137 /nfs/dbraw/zinc/88/21/37/858882137.db2.gz LFZPHWZFADGZNU-HUUCEWRRSA-N 1 1 424.339 4.084 20 5 HIBDMO CC(C)(NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000432771454 859351768 /nfs/dbraw/zinc/35/17/68/859351768.db2.gz LKPXZAZULLRTLU-UHFFFAOYSA-N 1 1 414.531 4.200 20 5 HIBDMO CCOc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000433047280 859498495 /nfs/dbraw/zinc/49/84/95/859498495.db2.gz WSEZDLDWOJKQDD-APWZRJJASA-N 1 1 416.522 4.198 20 5 HIBDMO CCOC(=O)c1csc(C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000433055410 859503246 /nfs/dbraw/zinc/50/32/46/859503246.db2.gz VZGRJFXGPUTUER-FNORWQNLSA-N 1 1 401.488 4.121 20 5 HIBDMO CSCC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000433177797 859556937 /nfs/dbraw/zinc/55/69/37/859556937.db2.gz VPBYVFMZOSJMFI-ROUUACIJSA-N 1 1 411.531 4.444 20 5 HIBDMO Cc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435292325 860722031 /nfs/dbraw/zinc/72/20/31/860722031.db2.gz XSMCYZMXVKXVIH-LJQANCHMSA-N 1 1 419.485 4.107 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000437837488 863191992 /nfs/dbraw/zinc/19/19/92/863191992.db2.gz IFTGZXMDEKKESQ-SFHVURJKSA-N 1 1 403.526 4.208 20 5 HIBDMO Cc1cccc2nc(C3CC[NH+](Cc4cc([N+](=O)[O-])cc5c4OCOC5)CC3)oc21 ZINC000438336726 863810667 /nfs/dbraw/zinc/81/06/67/863810667.db2.gz VSRJIGDAEGMDGI-UHFFFAOYSA-N 1 1 409.442 4.291 20 5 HIBDMO C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000467858651 881708289 /nfs/dbraw/zinc/70/82/89/881708289.db2.gz KYROJFSWFBEGOW-KSFYIVLOSA-N 1 1 410.495 4.439 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000439155386 864586016 /nfs/dbraw/zinc/58/60/16/864586016.db2.gz PMMMBFLSTRMZQP-CRAIPNDOSA-N 1 1 401.894 4.197 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000439294617 864719151 /nfs/dbraw/zinc/71/91/51/864719151.db2.gz LSWZHQUXTJBWAW-GOTSBHOMSA-N 1 1 423.513 4.474 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000439878839 865189535 /nfs/dbraw/zinc/18/95/35/865189535.db2.gz DDJBMPNZMUWOIE-UHFFFAOYSA-N 1 1 400.479 4.155 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000439884859 865196547 /nfs/dbraw/zinc/19/65/47/865196547.db2.gz XDWIBPWGAIOVEC-AEFFLSMTSA-N 1 1 412.490 4.168 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000439911689 865219156 /nfs/dbraw/zinc/21/91/56/865219156.db2.gz JEJGJCJVMQLXPO-YQQQUEKLSA-N 1 1 424.501 4.311 20 5 HIBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@@H](C)O1 ZINC000440623282 865844171 /nfs/dbraw/zinc/84/41/71/865844171.db2.gz GOXYFZZMIIKRPB-HZPDHXFCSA-N 1 1 420.469 4.005 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCCO)Cc3cccc(Cl)c3)o2)c1 ZINC000441084871 866179438 /nfs/dbraw/zinc/17/94/38/866179438.db2.gz AVYBTUWWOSHZDV-UHFFFAOYSA-N 1 1 415.877 4.330 20 5 HIBDMO Cc1ccccc1-c1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)s1 ZINC000441532197 866607955 /nfs/dbraw/zinc/60/79/55/866607955.db2.gz GICCPXDSOYXTJM-SFHVURJKSA-N 1 1 414.531 4.100 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443890395 868428248 /nfs/dbraw/zinc/42/82/48/868428248.db2.gz AAJWQHPHLBKKPX-HNNXBMFYSA-N 1 1 421.419 4.350 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000444003751 868524474 /nfs/dbraw/zinc/52/44/74/868524474.db2.gz JPTFCOIYLQAJDG-UHFFFAOYSA-N 1 1 413.521 4.452 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000444895226 869083268 /nfs/dbraw/zinc/08/32/68/869083268.db2.gz KAVZBRBWXHHHFS-FUHWJXTLSA-N 1 1 412.490 4.120 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1)CC(C)C ZINC000444899830 869086864 /nfs/dbraw/zinc/08/68/64/869086864.db2.gz IFVZVLCDCLGFFU-UHFFFAOYSA-N 1 1 406.527 4.215 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445172309 869258061 /nfs/dbraw/zinc/25/80/61/869258061.db2.gz KCEBHXOAYBUIEL-KSZLIROESA-N 1 1 403.526 4.159 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000446043800 870005241 /nfs/dbraw/zinc/00/52/41/870005241.db2.gz DUHWEGKBYRBZPX-GOSISDBHSA-N 1 1 401.894 4.341 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000446043800 870005251 /nfs/dbraw/zinc/00/52/51/870005251.db2.gz DUHWEGKBYRBZPX-GOSISDBHSA-N 1 1 401.894 4.341 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)CC2 ZINC000446712172 870627644 /nfs/dbraw/zinc/62/76/44/870627644.db2.gz QEPUDLYJYDWPRQ-DEOSSOPVSA-N 1 1 418.493 4.120 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)CC2 ZINC000446712172 870627651 /nfs/dbraw/zinc/62/76/51/870627651.db2.gz QEPUDLYJYDWPRQ-DEOSSOPVSA-N 1 1 418.493 4.120 20 5 HIBDMO CCCOc1c(Cl)cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000446847454 870767273 /nfs/dbraw/zinc/76/72/73/870767273.db2.gz MTHBXIVFLWAIKJ-UHFFFAOYSA-N 1 1 404.854 4.212 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000446854523 870774864 /nfs/dbraw/zinc/77/48/64/870774864.db2.gz ZPPPOZPYZQRYBG-LLVKDONJSA-N 1 1 413.257 4.304 20 5 HIBDMO COC1(CO)CC[NH+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000447074278 870956325 /nfs/dbraw/zinc/95/63/25/870956325.db2.gz FCQBFGRGLJPRQI-UHFFFAOYSA-N 1 1 402.516 4.028 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000447338975 871233706 /nfs/dbraw/zinc/23/37/06/871233706.db2.gz DEDCTBFAPRDMKE-JOCHJYFZSA-N 1 1 409.417 4.060 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC[N@@H+]1CCc2sccc2C1 ZINC000447693282 871629146 /nfs/dbraw/zinc/62/91/46/871629146.db2.gz LJCAEAUTWIMIPN-UHFFFAOYSA-N 1 1 422.379 4.176 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC[N@H+]1CCc2sccc2C1 ZINC000447693282 871629153 /nfs/dbraw/zinc/62/91/53/871629153.db2.gz LJCAEAUTWIMIPN-UHFFFAOYSA-N 1 1 422.379 4.176 20 5 HIBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357149 872304356 /nfs/dbraw/zinc/30/43/56/872304356.db2.gz VVQVZWYJWKWQOU-JZKQVHKSSA-N 1 1 406.866 4.277 20 5 HIBDMO COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448357287 872305166 /nfs/dbraw/zinc/30/51/66/872305166.db2.gz WGGVWVFTNPNLRF-DYESRHJHSA-N 1 1 414.502 4.308 20 5 HIBDMO COc1cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448357290 872306440 /nfs/dbraw/zinc/30/64/40/872306440.db2.gz WGGVWVFTNPNLRF-UWJYYQICSA-N 1 1 414.502 4.308 20 5 HIBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448362028 872310164 /nfs/dbraw/zinc/31/01/64/872310164.db2.gz ZDBNQPSUNPFFIA-DYESRHJHSA-N 1 1 414.502 4.308 20 5 HIBDMO COC[C@H]1CCCC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000468697876 882818819 /nfs/dbraw/zinc/81/88/19/882818819.db2.gz ZXRWNWVYFWKOLP-IBGZPJMESA-N 1 1 414.502 4.431 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000461466905 874523941 /nfs/dbraw/zinc/52/39/41/874523941.db2.gz LEYAFLFIDQZBTK-IBGZPJMESA-N 1 1 411.502 4.026 20 5 HIBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000468875686 882909217 /nfs/dbraw/zinc/90/92/17/882909217.db2.gz HGPRUSONWZHNRX-HNNXBMFYSA-N 1 1 416.909 4.371 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000462619826 875731300 /nfs/dbraw/zinc/73/13/00/875731300.db2.gz NZEZLNIFTSHMAD-LQWHRVPQSA-N 1 1 415.559 4.424 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462641894 875752212 /nfs/dbraw/zinc/75/22/12/875752212.db2.gz OFHRLTOPBWMSRM-PDXXHEQOSA-N 1 1 423.557 4.436 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000462931630 875959088 /nfs/dbraw/zinc/95/90/88/875959088.db2.gz GZCJDGDTPDMSSA-HXUWFJFHSA-N 1 1 421.541 4.213 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462993591 876008544 /nfs/dbraw/zinc/00/85/44/876008544.db2.gz SWCWZQXXYGORQL-HMXCVIKNSA-N 1 1 401.551 4.277 20 5 HIBDMO Cc1cc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463062942 876091140 /nfs/dbraw/zinc/09/11/40/876091140.db2.gz DCKMPRNVUUADAZ-FQEVSTJZSA-N 1 1 417.513 4.319 20 5 HIBDMO Cc1cc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463062943 876091723 /nfs/dbraw/zinc/09/17/23/876091723.db2.gz DCKMPRNVUUADAZ-HXUWFJFHSA-N 1 1 417.513 4.319 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000463885449 877006188 /nfs/dbraw/zinc/00/61/88/877006188.db2.gz CEIDZJKPFKHHJQ-ZDUSSCGKSA-N 1 1 423.391 4.259 20 5 HIBDMO COc1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000464100460 877256323 /nfs/dbraw/zinc/25/63/23/877256323.db2.gz ULMQVAOTGUFNCL-UHFFFAOYSA-N 1 1 401.482 4.087 20 5 HIBDMO COc1cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])cc1F ZINC000464479840 877699583 /nfs/dbraw/zinc/69/95/83/877699583.db2.gz JKHDFHXJCULXCP-GFCCVEGCSA-N 1 1 402.401 4.227 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757651 877997094 /nfs/dbraw/zinc/99/70/94/877997094.db2.gz OUPQYPWWWVGIOM-JKSUJKDBSA-N 1 1 415.515 4.045 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757651 877997106 /nfs/dbraw/zinc/99/71/06/877997106.db2.gz OUPQYPWWWVGIOM-JKSUJKDBSA-N 1 1 415.515 4.045 20 5 HIBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464830922 878086694 /nfs/dbraw/zinc/08/66/94/878086694.db2.gz BPWUICSTXCSPHR-FQEVSTJZSA-N 1 1 420.513 4.246 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3ccncc3OCC(F)(F)F)o2)c1 ZINC000466412896 880180332 /nfs/dbraw/zinc/18/03/32/880180332.db2.gz YCCQBHQISDTRHV-UHFFFAOYSA-N 1 1 407.348 4.481 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466556965 880330911 /nfs/dbraw/zinc/33/09/11/880330911.db2.gz SOWSOCCCCUYITQ-UHFFFAOYSA-N 1 1 404.898 4.088 20 5 HIBDMO COc1cc(C[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000467390017 881171302 /nfs/dbraw/zinc/17/13/02/881171302.db2.gz UBYVVPBYTQNDAA-LJQANCHMSA-N 1 1 400.475 4.183 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000467451358 881255008 /nfs/dbraw/zinc/25/50/08/881255008.db2.gz UDTYZXFKWOWNHQ-MAUKXSAKSA-N 1 1 416.909 4.101 20 5 HIBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000470122465 884384013 /nfs/dbraw/zinc/38/40/13/884384013.db2.gz MJZPCAUTUDYUFF-UTKZUKDTSA-N 1 1 412.465 4.252 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C[N@@H+](C)CC4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000470868757 885357905 /nfs/dbraw/zinc/35/79/05/885357905.db2.gz RGLXNXBYUUBSNP-LJQANCHMSA-N 1 1 422.529 4.324 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000471456113 886131586 /nfs/dbraw/zinc/13/15/86/886131586.db2.gz XIMWHGFRFFZXQZ-IAGOWNOFSA-N 1 1 401.532 4.102 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000472516206 887385498 /nfs/dbraw/zinc/38/54/98/887385498.db2.gz LALGLGRLIUIIOA-JIPZTSHUSA-N 1 1 413.543 4.203 20 5 HIBDMO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)n2CC ZINC000472603164 887475071 /nfs/dbraw/zinc/47/50/71/887475071.db2.gz KXLRIRHGMVWSNC-OAHLLOKOSA-N 1 1 410.474 4.300 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CC=C(c3c(F)cccc3F)CC2)cccc1[N+](=O)[O-] ZINC000473156964 887936059 /nfs/dbraw/zinc/93/60/59/887936059.db2.gz DVSKAJOTBZVWOI-UHFFFAOYSA-N 1 1 401.413 4.299 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCSC3(CCOCC3)C2)cc1OC ZINC000473204168 887980609 /nfs/dbraw/zinc/98/06/09/887980609.db2.gz FPRDTUXGQQAQGU-MRXNPFEDSA-N 1 1 424.563 4.126 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCSC3(CCOCC3)C2)cc1OC ZINC000473204168 887980617 /nfs/dbraw/zinc/98/06/17/887980617.db2.gz FPRDTUXGQQAQGU-MRXNPFEDSA-N 1 1 424.563 4.126 20 5 HIBDMO Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000473783316 888590401 /nfs/dbraw/zinc/59/04/01/888590401.db2.gz KVVHGBNKUVOENG-HSZRJFAPSA-N 1 1 408.502 4.423 20 5 HIBDMO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000474139167 888960923 /nfs/dbraw/zinc/96/09/23/888960923.db2.gz AESQNWCERBDHLI-UHFFFAOYSA-N 1 1 422.485 4.473 20 5 HIBDMO CCc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])cc3COC)CC2)cs1 ZINC000474153586 888984948 /nfs/dbraw/zinc/98/49/48/888984948.db2.gz VSEVUVZVQCTLDO-UHFFFAOYSA-N 1 1 404.536 4.084 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000474344293 889220405 /nfs/dbraw/zinc/22/04/05/889220405.db2.gz IHEMNSFAWNDQSL-HSZRJFAPSA-N 1 1 424.428 4.165 20 5 HIBDMO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291165 890194408 /nfs/dbraw/zinc/19/44/08/890194408.db2.gz LVSKKOGGBRXMTI-WAIKUNEKSA-N 1 1 412.486 4.182 20 5 HIBDMO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291165 890194418 /nfs/dbraw/zinc/19/44/18/890194418.db2.gz LVSKKOGGBRXMTI-WAIKUNEKSA-N 1 1 412.486 4.182 20 5 HIBDMO COc1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291162 890194471 /nfs/dbraw/zinc/19/44/71/890194471.db2.gz LVSKKOGGBRXMTI-HJPURHCSSA-N 1 1 412.486 4.182 20 5 HIBDMO COc1ccc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291162 890194477 /nfs/dbraw/zinc/19/44/77/890194477.db2.gz LVSKKOGGBRXMTI-HJPURHCSSA-N 1 1 412.486 4.182 20 5 HIBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293388 890197981 /nfs/dbraw/zinc/19/79/81/890197981.db2.gz WJHXVBIXYMVXPB-VFNWGFHPSA-N 1 1 418.877 4.420 20 5 HIBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293388 890197998 /nfs/dbraw/zinc/19/79/98/890197998.db2.gz WJHXVBIXYMVXPB-VFNWGFHPSA-N 1 1 418.877 4.420 20 5 HIBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000475328324 890248677 /nfs/dbraw/zinc/24/86/77/890248677.db2.gz IFEFINFABJQGJZ-GOSISDBHSA-N 1 1 409.280 4.354 20 5 HIBDMO CCOc1cc(N2CC[NH+](Cc3ccc(SC)c(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000475505853 890421629 /nfs/dbraw/zinc/42/16/29/890421629.db2.gz DYEHEROENALNLI-UHFFFAOYSA-N 1 1 417.531 4.046 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000475627344 890564792 /nfs/dbraw/zinc/56/47/92/890564792.db2.gz QVNXCLAKLQMCQL-VFNWGFHPSA-N 1 1 418.877 4.420 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475711178 890649897 /nfs/dbraw/zinc/64/98/97/890649897.db2.gz VDZXZIDLTQTESK-KRWDZBQOSA-N 1 1 402.447 4.165 20 5 HIBDMO C[N@@H+](Cc1ccccc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000476490740 891398922 /nfs/dbraw/zinc/39/89/22/891398922.db2.gz OYCJOFPKVVDJAM-UHFFFAOYSA-N 1 1 422.529 4.361 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000476984855 891909902 /nfs/dbraw/zinc/90/99/02/891909902.db2.gz NCSHXYKMZJWWRF-QGZVFWFLSA-N 1 1 413.522 4.121 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000477158416 892081050 /nfs/dbraw/zinc/08/10/50/892081050.db2.gz DFEPAGANKIXDND-QHCPKHFHSA-N 1 1 408.502 4.342 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C1 ZINC000478535299 893836500 /nfs/dbraw/zinc/83/65/00/893836500.db2.gz LSMOGMRAXIFPPQ-INIZCTEOSA-N 1 1 406.486 4.238 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000478624099 893881448 /nfs/dbraw/zinc/88/14/48/893881448.db2.gz UFYWDNXKIGCZEH-QGZVFWFLSA-N 1 1 414.550 4.286 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3ncc(Cl)cn3)CC2)s1 ZINC000479443597 894758357 /nfs/dbraw/zinc/75/83/57/894758357.db2.gz ZAIVYHMDXWOAAC-UHFFFAOYSA-N 1 1 415.906 4.089 20 5 HIBDMO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000479629947 894897246 /nfs/dbraw/zinc/89/72/46/894897246.db2.gz VYOLIXHNJOCPAS-XLIONFOSSA-N 1 1 411.502 4.209 20 5 HIBDMO Cc1c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480073866 895424310 /nfs/dbraw/zinc/42/43/10/895424310.db2.gz XXIAAPNRFBBGRQ-GGAORHGYSA-N 1 1 422.529 4.099 20 5 HIBDMO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000480464691 895848393 /nfs/dbraw/zinc/84/83/93/895848393.db2.gz HQKXTRBRAFUVLP-OAQYLSRUSA-N 1 1 405.454 4.054 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000481983749 897377610 /nfs/dbraw/zinc/37/76/10/897377610.db2.gz KTUJQHXOSGIZJS-UYAOXDASSA-N 1 1 408.502 4.076 20 5 HIBDMO CCOc1cc(C[N@H+]2CC[C@H](C)[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482503407 898084298 /nfs/dbraw/zinc/08/42/98/898084298.db2.gz FJSAXQUVRKWNNT-QFBILLFUSA-N 1 1 416.522 4.198 20 5 HIBDMO COc1ccc2[nH]cc(C3CC[NH+](Cc4nc5cc([N+](=O)[O-])ccc5[nH]4)CC3)c2c1 ZINC000482712282 898312913 /nfs/dbraw/zinc/31/29/13/898312913.db2.gz VRELGGURPFMKQA-UHFFFAOYSA-N 1 1 405.458 4.341 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482762959 898369923 /nfs/dbraw/zinc/36/99/23/898369923.db2.gz ZVJLPPUVZGNPGP-NQIIRXRSSA-N 1 1 424.501 4.122 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482901260 898521044 /nfs/dbraw/zinc/52/10/44/898521044.db2.gz DDKINIMUCRHJQH-LJQANCHMSA-N 1 1 401.438 4.298 20 5 HIBDMO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)no1 ZINC000483427112 899058504 /nfs/dbraw/zinc/05/85/04/899058504.db2.gz IHHSOCHRYZOCHP-UHFFFAOYSA-N 1 1 412.421 4.172 20 5 HIBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483591023 899241975 /nfs/dbraw/zinc/24/19/75/899241975.db2.gz XQZZNHIBVQSQQQ-JPYJTQIMSA-N 1 1 418.497 4.203 20 5 HIBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485162940 900461411 /nfs/dbraw/zinc/46/14/11/900461411.db2.gz SRJHNLGMBCCQMB-UYAOXDASSA-N 1 1 422.529 4.153 20 5 HIBDMO CCc1nc(C[NH+]2CCC(CNc3ccc4ncccc4c3[N+](=O)[O-])CC2)cs1 ZINC000485165730 900464357 /nfs/dbraw/zinc/46/43/57/900464357.db2.gz PFAZRWJAACBYAU-UHFFFAOYSA-N 1 1 411.531 4.486 20 5 HIBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000485604795 900864446 /nfs/dbraw/zinc/86/44/46/900864446.db2.gz VYJHZQNWNPFSER-IBGZPJMESA-N 1 1 410.518 4.153 20 5 HIBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000486003659 901218128 /nfs/dbraw/zinc/21/81/28/901218128.db2.gz MZONARIGNZVUPZ-CVDCTZTESA-N 1 1 403.486 4.181 20 5 HIBDMO CSc1cccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000486237143 901418968 /nfs/dbraw/zinc/41/89/68/901418968.db2.gz WVZLTEMUFNRLPU-GASCZTMLSA-N 1 1 415.515 4.178 20 5 HIBDMO CSc1cccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000486237143 901418972 /nfs/dbraw/zinc/41/89/72/901418972.db2.gz WVZLTEMUFNRLPU-GASCZTMLSA-N 1 1 415.515 4.178 20 5 HIBDMO CSc1cccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000486703926 901804163 /nfs/dbraw/zinc/80/41/63/901804163.db2.gz SQRJDKFPKZAJEY-OAHLLOKOSA-N 1 1 415.515 4.290 20 5 HIBDMO C[NH+](C)[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000486721696 901812983 /nfs/dbraw/zinc/81/29/83/901812983.db2.gz HJJCKRHSXROHCS-INIZCTEOSA-N 1 1 415.799 4.186 20 5 HIBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000505924348 914573570 /nfs/dbraw/zinc/57/35/70/914573570.db2.gz FSIPWAIQSVEINB-IXDOHACOSA-N 1 1 423.941 4.129 20 5 HIBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486835848 901886694 /nfs/dbraw/zinc/88/66/94/901886694.db2.gz VTYLNUMNAVOBNH-LBUQITIBSA-N 1 1 405.458 4.155 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486857108 901902439 /nfs/dbraw/zinc/90/24/39/901902439.db2.gz QMZJRXXGGVDYOO-FOIQADDNSA-N 1 1 402.882 4.137 20 5 HIBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]2CCCC[C@H]12 ZINC000490005090 903720763 /nfs/dbraw/zinc/72/07/63/903720763.db2.gz OLRBUACCAGBVCM-ORFRNNEJSA-N 1 1 417.550 4.287 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000490016942 903726649 /nfs/dbraw/zinc/72/66/49/903726649.db2.gz IFCAKMOXKKEHRX-OAHLLOKOSA-N 1 1 414.531 4.138 20 5 HIBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000490196748 903822120 /nfs/dbraw/zinc/82/21/20/903822120.db2.gz LJHURUPTFQLBMU-QUCCMNQESA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000490196748 903822128 /nfs/dbraw/zinc/82/21/28/903822128.db2.gz LJHURUPTFQLBMU-QUCCMNQESA-N 1 1 403.429 4.135 20 5 HIBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380468 903972305 /nfs/dbraw/zinc/97/23/05/903972305.db2.gz YPBUPMUHSCMOFR-MSOLQXFVSA-N 1 1 414.449 4.027 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490797049 904243352 /nfs/dbraw/zinc/24/33/52/904243352.db2.gz NNFINDGSVWLDCN-SJLPKXTDSA-N 1 1 413.543 4.347 20 5 HIBDMO COc1cc(C[NH+]2CCC(Oc3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491089783 904421216 /nfs/dbraw/zinc/42/12/16/904421216.db2.gz NSJQIBJWFUOKRO-UHFFFAOYSA-N 1 1 422.428 4.291 20 5 HIBDMO O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491093582 904425389 /nfs/dbraw/zinc/42/53/89/904425389.db2.gz VGCCMLSOICHCLP-LJQANCHMSA-N 1 1 403.841 4.335 20 5 HIBDMO COc1ccc([C@H](C)[N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 ZINC000491143191 904453381 /nfs/dbraw/zinc/45/33/81/904453381.db2.gz XUGDDBPJWHSJCQ-ZDUSSCGKSA-N 1 1 410.417 4.449 20 5 HIBDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 ZINC000491143191 904453386 /nfs/dbraw/zinc/45/33/86/904453386.db2.gz XUGDDBPJWHSJCQ-ZDUSSCGKSA-N 1 1 410.417 4.449 20 5 HIBDMO CCC1(CO)CC[NH+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000491232352 904492170 /nfs/dbraw/zinc/49/21/70/904492170.db2.gz LGZVIALSRANMLS-OAQYLSRUSA-N 1 1 411.502 4.068 20 5 HIBDMO COc1ccc(Cl)cc1C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506136860 914819283 /nfs/dbraw/zinc/81/92/83/914819283.db2.gz LMSDETHHLUHIEC-UHFFFAOYSA-N 1 1 400.866 4.289 20 5 HIBDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506136860 914819285 /nfs/dbraw/zinc/81/92/85/914819285.db2.gz LMSDETHHLUHIEC-UHFFFAOYSA-N 1 1 400.866 4.289 20 5 HIBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000506148722 914825463 /nfs/dbraw/zinc/82/54/63/914825463.db2.gz TZSOQLLMUKEURF-AWEZNQCLSA-N 1 1 405.380 4.036 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960271 904967569 /nfs/dbraw/zinc/96/75/69/904967569.db2.gz LUYQVWKJJAEBDR-RBUKOAKNSA-N 1 1 410.518 4.270 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000493081551 905014932 /nfs/dbraw/zinc/01/49/32/905014932.db2.gz RHERSMYTDLGHNK-CEXWTWQISA-N 1 1 402.539 4.260 20 5 HIBDMO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000493915369 905266060 /nfs/dbraw/zinc/26/60/60/905266060.db2.gz DLUVEDSQHYUPDN-NBHSMZAVSA-N 1 1 416.384 4.104 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000512399622 921135322 /nfs/dbraw/zinc/13/53/22/921135322.db2.gz VMBDVCKGNLJNHT-QUCCMNQESA-N 1 1 410.518 4.037 20 5 HIBDMO C[C@H]1[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1Cc1ccccc1 ZINC000494070076 905408026 /nfs/dbraw/zinc/40/80/26/905408026.db2.gz UQQCMTQLDRKBQP-JTSKRJEESA-N 1 1 411.505 4.074 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494077274 905415551 /nfs/dbraw/zinc/41/55/51/905415551.db2.gz GUHIAOISCHUCFC-UZLBHIALSA-N 1 1 413.543 4.488 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494267839 905591772 /nfs/dbraw/zinc/59/17/72/905591772.db2.gz JWYWJAHJFGOFAG-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494509900 905800727 /nfs/dbraw/zinc/80/07/27/905800727.db2.gz KYOXYFIBXQKLSL-LBPRGKRZSA-N 1 1 412.364 4.016 20 5 HIBDMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000496286428 906648216 /nfs/dbraw/zinc/64/82/16/906648216.db2.gz TZWJRHCGHBIYOI-SFHVURJKSA-N 1 1 420.494 4.343 20 5 HIBDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-])C2 ZINC000512812572 921317920 /nfs/dbraw/zinc/31/79/20/921317920.db2.gz WBWLAXFWRIRBIF-FVYSKSNYSA-N 1 1 406.523 4.419 20 5 HIBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000497947930 907416062 /nfs/dbraw/zinc/41/60/62/907416062.db2.gz DAHWWQXNGPQXMG-HSZRJFAPSA-N 1 1 424.504 4.090 20 5 HIBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000497947930 907416076 /nfs/dbraw/zinc/41/60/76/907416076.db2.gz DAHWWQXNGPQXMG-HSZRJFAPSA-N 1 1 424.504 4.090 20 5 HIBDMO CCOC1CC2(C1)CC[N@@H+]([C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C2 ZINC000512839978 921341995 /nfs/dbraw/zinc/34/19/95/921341995.db2.gz LPFASAHZRMTXTL-GJFCNDCISA-N 1 1 423.513 4.474 20 5 HIBDMO CCOC1CC2(C1)CC[N@H+]([C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C2 ZINC000512839978 921342012 /nfs/dbraw/zinc/34/20/12/921342012.db2.gz LPFASAHZRMTXTL-GJFCNDCISA-N 1 1 423.513 4.474 20 5 HIBDMO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498689343 908117428 /nfs/dbraw/zinc/11/74/28/908117428.db2.gz LLYHSNBYKUXYHZ-NQIIRXRSSA-N 1 1 422.529 4.179 20 5 HIBDMO O=C(CC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000500093944 909572183 /nfs/dbraw/zinc/57/21/83/909572183.db2.gz SVZASERJNUFCTL-SFHVURJKSA-N 1 1 405.907 4.367 20 5 HIBDMO O=C(CC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000500093944 909572187 /nfs/dbraw/zinc/57/21/87/909572187.db2.gz SVZASERJNUFCTL-SFHVURJKSA-N 1 1 405.907 4.367 20 5 HIBDMO O=C(C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000500452062 909868508 /nfs/dbraw/zinc/86/85/08/909868508.db2.gz ASPJYVLUQSEVBF-UHFFFAOYSA-N 1 1 406.269 4.070 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513111664 921558654 /nfs/dbraw/zinc/55/86/54/921558654.db2.gz JPAUOEDQMUBQMB-FQEVSTJZSA-N 1 1 422.485 4.216 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513111664 921558661 /nfs/dbraw/zinc/55/86/61/921558661.db2.gz JPAUOEDQMUBQMB-FQEVSTJZSA-N 1 1 422.485 4.216 20 5 HIBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502163603 911083775 /nfs/dbraw/zinc/08/37/75/911083775.db2.gz VRCRLJLONWGPQQ-UHFFFAOYSA-N 1 1 417.440 4.262 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502181072 911110791 /nfs/dbraw/zinc/11/07/91/911110791.db2.gz OTYYMGRFRYLEHT-UHFFFAOYSA-N 1 1 417.440 4.262 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506472724 915071286 /nfs/dbraw/zinc/07/12/86/915071286.db2.gz GSEIMUXDKHILOF-SQNIBIBYSA-N 1 1 413.522 4.292 20 5 HIBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506475561 915077901 /nfs/dbraw/zinc/07/79/01/915077901.db2.gz AFHOOIBUJPJCDM-IBGZPJMESA-N 1 1 411.483 4.197 20 5 HIBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506475561 915077915 /nfs/dbraw/zinc/07/79/15/915077915.db2.gz AFHOOIBUJPJCDM-IBGZPJMESA-N 1 1 411.483 4.197 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)o2)c(Cl)c1 ZINC000513375097 921746972 /nfs/dbraw/zinc/74/69/72/921746972.db2.gz GUFNKORDMJLHOY-MRXNPFEDSA-N 1 1 419.909 4.052 20 5 HIBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000506617024 915273352 /nfs/dbraw/zinc/27/33/52/915273352.db2.gz HMBJUBZIXYDPSA-HXUWFJFHSA-N 1 1 422.485 4.350 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCN(Cc4cscn4)CC3)s2)cc1 ZINC000513391956 921762710 /nfs/dbraw/zinc/76/27/10/921762710.db2.gz IGPIRRDWSKKZQK-UHFFFAOYSA-N 1 1 414.556 4.488 20 5 HIBDMO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000506745500 915436320 /nfs/dbraw/zinc/43/63/20/915436320.db2.gz YEPAWFIWSPQJPT-UHFFFAOYSA-N 1 1 405.401 4.047 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(CN4CCOCC4)CC3)o2)c(Cl)c1 ZINC000506891513 915686112 /nfs/dbraw/zinc/68/61/12/915686112.db2.gz CJVDCSYAUOYVLF-UHFFFAOYSA-N 1 1 419.909 4.052 20 5 HIBDMO O=C(C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000507905904 916778386 /nfs/dbraw/zinc/77/83/86/916778386.db2.gz UNKFJJHYWCWNSI-UHFFFAOYSA-N 1 1 413.380 4.394 20 5 HIBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000508342423 917144658 /nfs/dbraw/zinc/14/46/58/917144658.db2.gz KBPNIHSJAZLBFH-QZTJIDSGSA-N 1 1 410.518 4.057 20 5 HIBDMO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570287 917343838 /nfs/dbraw/zinc/34/38/38/917343838.db2.gz PDEVIYCQJJSYRV-FOIQADDNSA-N 1 1 421.419 4.227 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+][C@H](C[S@@](C)=O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000508642787 917406941 /nfs/dbraw/zinc/40/69/41/917406941.db2.gz YJXQIUCGOCGTIK-SONOPUAISA-N 1 1 414.483 4.073 20 5 HIBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000508648623 917414556 /nfs/dbraw/zinc/41/45/56/917414556.db2.gz DUHSOYDRRWTGNS-ZFWWWQNUSA-N 1 1 403.866 4.126 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000509347960 918013146 /nfs/dbraw/zinc/01/31/46/918013146.db2.gz HRYJGAKRWXERNK-ZDUSSCGKSA-N 1 1 418.375 4.442 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000509347960 918013152 /nfs/dbraw/zinc/01/31/52/918013152.db2.gz HRYJGAKRWXERNK-ZDUSSCGKSA-N 1 1 418.375 4.442 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000509348776 918014581 /nfs/dbraw/zinc/01/45/81/918014581.db2.gz TVTLDFPUNPCNIJ-ZDUSSCGKSA-N 1 1 418.375 4.442 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000509348776 918014592 /nfs/dbraw/zinc/01/45/92/918014592.db2.gz TVTLDFPUNPCNIJ-ZDUSSCGKSA-N 1 1 418.375 4.442 20 5 HIBDMO CCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000509389321 918055439 /nfs/dbraw/zinc/05/54/39/918055439.db2.gz SDQOJUKMEKVSOG-UHFFFAOYSA-N 1 1 419.476 4.161 20 5 HIBDMO CCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000509389321 918055446 /nfs/dbraw/zinc/05/54/46/918055446.db2.gz SDQOJUKMEKVSOG-UHFFFAOYSA-N 1 1 419.476 4.161 20 5 HIBDMO NC(=O)[C@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000509585772 918235829 /nfs/dbraw/zinc/23/58/29/918235829.db2.gz VUVFIXQTLQIRQX-HXUWFJFHSA-N 1 1 411.845 4.357 20 5 HIBDMO COc1cc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])cc1OC ZINC000510090406 918656841 /nfs/dbraw/zinc/65/68/41/918656841.db2.gz YNOJAJJYWBLSRR-UHFFFAOYSA-N 1 1 410.474 4.067 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@H+]1Cc1ccccc1 ZINC000510111816 918672916 /nfs/dbraw/zinc/67/29/16/918672916.db2.gz FMESCZDJZYSSRD-AEFFLSMTSA-N 1 1 407.470 4.372 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@H+]1Cc1ccccc1 ZINC000510111821 918673199 /nfs/dbraw/zinc/67/31/99/918673199.db2.gz FMESCZDJZYSSRD-SJLPKXTDSA-N 1 1 407.470 4.372 20 5 HIBDMO COc1cccc(C2([NH2+]Cc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000510265731 918795391 /nfs/dbraw/zinc/79/53/91/918795391.db2.gz GJOAGHLEFWMMAY-UHFFFAOYSA-N 1 1 408.401 4.035 20 5 HIBDMO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCO1 ZINC000510520735 918966187 /nfs/dbraw/zinc/96/61/87/918966187.db2.gz LFCMTESNGSLJMX-MRXNPFEDSA-N 1 1 401.532 4.008 20 5 HIBDMO C[C@@H]1C[N@H+](C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCO1 ZINC000510520735 918966190 /nfs/dbraw/zinc/96/61/90/918966190.db2.gz LFCMTESNGSLJMX-MRXNPFEDSA-N 1 1 401.532 4.008 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000510537888 918982245 /nfs/dbraw/zinc/98/22/45/918982245.db2.gz KMCZUILAJWVRHY-SFHVURJKSA-N 1 1 422.485 4.285 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510538394 918984042 /nfs/dbraw/zinc/98/40/42/918984042.db2.gz LZVNOWWQRWEYMN-LJQANCHMSA-N 1 1 422.485 4.285 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000510647901 919088273 /nfs/dbraw/zinc/08/82/73/919088273.db2.gz UMTGORYFVRTBLH-FCHUYYIVSA-N 1 1 404.470 4.201 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000510647901 919088281 /nfs/dbraw/zinc/08/82/81/919088281.db2.gz UMTGORYFVRTBLH-FCHUYYIVSA-N 1 1 404.470 4.201 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4CCC[C@H]43)o2)c(Br)c1 ZINC000510692254 919130527 /nfs/dbraw/zinc/13/05/27/919130527.db2.gz AKIXJCHEHCCJQD-SJLPKXTDSA-N 1 1 407.264 4.371 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4CCC[C@H]43)o2)c(Br)c1 ZINC000510692254 919130537 /nfs/dbraw/zinc/13/05/37/919130537.db2.gz AKIXJCHEHCCJQD-SJLPKXTDSA-N 1 1 407.264 4.371 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000511223490 919830838 /nfs/dbraw/zinc/83/08/38/919830838.db2.gz PDICFLUAFOCJNX-DOTOQJQBSA-N 1 1 401.894 4.279 20 5 HIBDMO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000511260895 919860173 /nfs/dbraw/zinc/86/01/73/919860173.db2.gz NQGSHGJCOFPRNU-UHFFFAOYSA-N 1 1 422.407 4.400 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000512007419 920778606 /nfs/dbraw/zinc/77/86/06/920778606.db2.gz ICADAKNXYROPBB-INIZCTEOSA-N 1 1 406.486 4.381 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)C1 ZINC000512074291 920839692 /nfs/dbraw/zinc/83/96/92/920839692.db2.gz QEGOWJXJVRJWAJ-MRXNPFEDSA-N 1 1 406.486 4.238 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000513698204 922019126 /nfs/dbraw/zinc/01/91/26/922019126.db2.gz XRAOCQPOYXXSCU-FQEVSTJZSA-N 1 1 421.432 4.044 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000513919866 922242738 /nfs/dbraw/zinc/24/27/38/922242738.db2.gz GFXVRRQRGXYBJH-NRFANRHFSA-N 1 1 406.486 4.107 20 5 HIBDMO C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000515509240 923143900 /nfs/dbraw/zinc/14/39/00/923143900.db2.gz STCFSQWXSVEPMV-MSOLQXFVSA-N 1 1 410.518 4.387 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000517094122 923992603 /nfs/dbraw/zinc/99/26/03/923992603.db2.gz GNVAIMOGXJBMEL-UHFFFAOYSA-N 1 1 423.513 4.439 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000517094122 923992616 /nfs/dbraw/zinc/99/26/16/923992616.db2.gz GNVAIMOGXJBMEL-UHFFFAOYSA-N 1 1 423.513 4.439 20 5 HIBDMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000517541990 924255665 /nfs/dbraw/zinc/25/56/65/924255665.db2.gz CGEGPVSBZZQPIU-AWEZNQCLSA-N 1 1 408.296 4.191 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000517541990 924255682 /nfs/dbraw/zinc/25/56/82/924255682.db2.gz CGEGPVSBZZQPIU-AWEZNQCLSA-N 1 1 408.296 4.191 20 5 HIBDMO CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000517552964 924262652 /nfs/dbraw/zinc/26/26/52/924262652.db2.gz JXMUSIQZLKKCJS-UHFFFAOYSA-N 1 1 405.445 4.123 20 5 HIBDMO CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCc2ccccc2C1 ZINC000517552964 924262662 /nfs/dbraw/zinc/26/26/62/924262662.db2.gz JXMUSIQZLKKCJS-UHFFFAOYSA-N 1 1 405.445 4.123 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)s1 ZINC000517615611 926725889 /nfs/dbraw/zinc/72/58/89/926725889.db2.gz LJCFGGYCIVYUBQ-AWEZNQCLSA-N 1 1 407.923 4.212 20 5 HIBDMO CC[N@@H+]1CCCC[C@@H]1CNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000517709239 926808081 /nfs/dbraw/zinc/80/80/81/926808081.db2.gz IPNKBYKGZXSCKN-OAQYLSRUSA-N 1 1 413.518 4.146 20 5 HIBDMO CC[N@H+]1CCCC[C@@H]1CNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000517709239 926808085 /nfs/dbraw/zinc/80/80/85/926808085.db2.gz IPNKBYKGZXSCKN-OAQYLSRUSA-N 1 1 413.518 4.146 20 5 HIBDMO COc1ccc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000518454046 927285744 /nfs/dbraw/zinc/28/57/44/927285744.db2.gz WVHUYLPQJNCANQ-LJQANCHMSA-N 1 1 411.502 4.195 20 5 HIBDMO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000518749709 927474431 /nfs/dbraw/zinc/47/44/31/927474431.db2.gz MOHWJKYGAKLGNZ-INIZCTEOSA-N 1 1 402.458 4.256 20 5 HIBDMO CC(C)CC[N@H+]1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000520225330 928400331 /nfs/dbraw/zinc/40/03/31/928400331.db2.gz CRWWVZOJTPLTOV-QFIPXVFZSA-N 1 1 408.502 4.174 20 5 HIBDMO CC[N@@H+]1CCCC[C@H]1CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000520390080 928542711 /nfs/dbraw/zinc/54/27/11/928542711.db2.gz IBIHPGSKYZRZJM-NRFANRHFSA-N 1 1 413.518 4.146 20 5 HIBDMO CC[N@H+]1CCCC[C@H]1CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000520390080 928542726 /nfs/dbraw/zinc/54/27/26/928542726.db2.gz IBIHPGSKYZRZJM-NRFANRHFSA-N 1 1 413.518 4.146 20 5 HIBDMO COc1cc(CNCC[NH+]2CCCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520951698 928886666 /nfs/dbraw/zinc/88/66/66/928886666.db2.gz IQKPXKLHULRJET-UHFFFAOYSA-N 1 1 413.518 4.148 20 5 HIBDMO CCC[C@]1(CO)CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000521675460 929359653 /nfs/dbraw/zinc/35/96/53/929359653.db2.gz IVONOEXMEKHGGN-GGAORHGYSA-N 1 1 411.502 4.068 20 5 HIBDMO CCC[C@]1(CO)CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000521675460 929359665 /nfs/dbraw/zinc/35/96/65/929359665.db2.gz IVONOEXMEKHGGN-GGAORHGYSA-N 1 1 411.502 4.068 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000524644580 929757111 /nfs/dbraw/zinc/75/71/11/929757111.db2.gz PNSAQYOUZYHECN-ACJLOTCBSA-N 1 1 405.545 4.191 20 5 HIBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525537575 930310743 /nfs/dbraw/zinc/31/07/43/930310743.db2.gz USDMIQCWXWIPEK-KSSFIOAISA-N 1 1 417.893 4.453 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000525555007 930323209 /nfs/dbraw/zinc/32/32/09/930323209.db2.gz ZXLARKHYQSMNCV-KHYOSLBOSA-N 1 1 419.572 4.336 20 5 HIBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000525621286 930367558 /nfs/dbraw/zinc/36/75/58/930367558.db2.gz PZURWQDXPAQXCG-UWJYYQICSA-N 1 1 410.518 4.009 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000532558916 931522453 /nfs/dbraw/zinc/52/24/53/931522453.db2.gz KANZZRLVOSKQJK-UHFFFAOYSA-N 1 1 410.449 4.342 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)s2)cc1 ZINC000532628232 931560304 /nfs/dbraw/zinc/56/03/04/931560304.db2.gz BWUSUJGMLVKJRL-SFTDATJTSA-N 1 1 415.559 4.181 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000532904978 931686857 /nfs/dbraw/zinc/68/68/57/931686857.db2.gz AFNFPWCGXTYJDS-UHFFFAOYSA-N 1 1 407.426 4.188 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)o2)c1 ZINC000532942931 931706442 /nfs/dbraw/zinc/70/64/42/931706442.db2.gz ZNEYBHDWTVIBEM-IBGZPJMESA-N 1 1 421.453 4.401 20 5 HIBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000533249098 931818843 /nfs/dbraw/zinc/81/88/43/931818843.db2.gz LFFLWKOOXHUTBY-GFCCVEGCSA-N 1 1 411.380 4.254 20 5 HIBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000533249098 931818845 /nfs/dbraw/zinc/81/88/45/931818845.db2.gz LFFLWKOOXHUTBY-GFCCVEGCSA-N 1 1 411.380 4.254 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000533252188 931819627 /nfs/dbraw/zinc/81/96/27/931819627.db2.gz QEXLXERCGIWJHQ-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000533251888 931819741 /nfs/dbraw/zinc/81/97/41/931819741.db2.gz ZTMLCKIYYSBRBG-CQSZACIVSA-N 1 1 400.410 4.246 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000533251888 931819744 /nfs/dbraw/zinc/81/97/44/931819744.db2.gz ZTMLCKIYYSBRBG-CQSZACIVSA-N 1 1 400.410 4.246 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)Cc1ccc(OC)cc1 ZINC000533281543 931826812 /nfs/dbraw/zinc/82/68/12/931826812.db2.gz RPQXXEGWXCDIQH-AWEZNQCLSA-N 1 1 405.882 4.148 20 5 HIBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000533440402 931870327 /nfs/dbraw/zinc/87/03/27/931870327.db2.gz SGDAWNFFFANKJP-HNNXBMFYSA-N 1 1 403.866 4.075 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480532 931879945 /nfs/dbraw/zinc/87/99/45/931879945.db2.gz OIDVEYJRVRJPFK-AWEZNQCLSA-N 1 1 416.441 4.371 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480532 931879947 /nfs/dbraw/zinc/87/99/47/931879947.db2.gz OIDVEYJRVRJPFK-AWEZNQCLSA-N 1 1 416.441 4.371 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484314 931881159 /nfs/dbraw/zinc/88/11/59/931881159.db2.gz HBPIGMGQFQRBPJ-GHTZIAJQSA-N 1 1 424.545 4.217 20 5 HIBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)nc1 ZINC000533516320 931891259 /nfs/dbraw/zinc/89/12/59/931891259.db2.gz LBHFKQMYFCWEFR-HNNXBMFYSA-N 1 1 415.906 4.453 20 5 HIBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)nc1 ZINC000533516320 931891260 /nfs/dbraw/zinc/89/12/60/931891260.db2.gz LBHFKQMYFCWEFR-HNNXBMFYSA-N 1 1 415.906 4.453 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534122533 932288688 /nfs/dbraw/zinc/28/86/88/932288688.db2.gz QDIKVVKDKMVZHN-SFHVURJKSA-N 1 1 406.486 4.346 20 5 HIBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535695746 933350522 /nfs/dbraw/zinc/35/05/22/933350522.db2.gz CYKJOGSHDWKYPE-UHFFFAOYSA-N 1 1 418.497 4.204 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000535810306 933406046 /nfs/dbraw/zinc/40/60/46/933406046.db2.gz CBUYCLLPGYBHQZ-QGZVFWFLSA-N 1 1 411.437 4.030 20 5 HIBDMO C[C@H]1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537323668 933716145 /nfs/dbraw/zinc/71/61/45/933716145.db2.gz LHABWKOOTVYQMD-AVRDEDQJSA-N 1 1 419.529 4.138 20 5 HIBDMO C[C@H]1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000537323668 933716147 /nfs/dbraw/zinc/71/61/47/933716147.db2.gz LHABWKOOTVYQMD-AVRDEDQJSA-N 1 1 419.529 4.138 20 5 HIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)nc2c1 ZINC000538148513 938521190 /nfs/dbraw/zinc/52/11/90/938521190.db2.gz WABREDSZYHXTDB-DLBZAZTESA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)nc2c1 ZINC000538148513 938521195 /nfs/dbraw/zinc/52/11/95/938521195.db2.gz WABREDSZYHXTDB-DLBZAZTESA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148513 938521199 /nfs/dbraw/zinc/52/11/99/938521199.db2.gz WABREDSZYHXTDB-DLBZAZTESA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148513 938521203 /nfs/dbraw/zinc/52/12/03/938521203.db2.gz WABREDSZYHXTDB-DLBZAZTESA-N 1 1 421.501 4.295 20 5 HIBDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(C)C)ccc2NC1=O ZINC000538259023 938576532 /nfs/dbraw/zinc/57/65/32/938576532.db2.gz UPFXSGJTZCDMSJ-IFXJQAMLSA-N 1 1 413.474 4.342 20 5 HIBDMO Cn1cc(CNc2cccc(CC[N@@H+](C)C3CC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538452717 938625779 /nfs/dbraw/zinc/62/57/79/938625779.db2.gz DBTZINBONXXICU-UHFFFAOYSA-N 1 1 405.502 4.244 20 5 HIBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538728133 938693887 /nfs/dbraw/zinc/69/38/87/938693887.db2.gz YFFBMRJNGJJINI-JOCHJYFZSA-N 1 1 405.502 4.096 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538749962 938700815 /nfs/dbraw/zinc/70/08/15/938700815.db2.gz QGCXUJIKMRTSTO-UXHICEINSA-N 1 1 412.486 4.041 20 5 HIBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] ZINC000539379328 938851911 /nfs/dbraw/zinc/85/19/11/938851911.db2.gz NIAUTLITQPRWCP-GFCCVEGCSA-N 1 1 407.264 4.288 20 5 HIBDMO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000539456566 938863183 /nfs/dbraw/zinc/86/31/83/938863183.db2.gz RNKFTJMBZPHBQS-UHFFFAOYSA-N 1 1 401.444 4.151 20 5 HIBDMO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000539492003 938867844 /nfs/dbraw/zinc/86/78/44/938867844.db2.gz WVFJMOCXDFWZLE-GOSISDBHSA-N 1 1 414.437 4.367 20 5 HIBDMO COc1cc(C[N@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539900719 938972750 /nfs/dbraw/zinc/97/27/50/938972750.db2.gz WPWRKPZSUUQRNX-CYBMUJFWSA-N 1 1 408.442 4.262 20 5 HIBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924219 938978144 /nfs/dbraw/zinc/97/81/44/938978144.db2.gz WLPGDNZDVYYHLT-APWZRJJASA-N 1 1 413.449 4.017 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000539936009 938979216 /nfs/dbraw/zinc/97/92/16/938979216.db2.gz RTQBHXIQXCCIQQ-LJQANCHMSA-N 1 1 424.888 4.343 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540801462 939377465 /nfs/dbraw/zinc/37/74/65/939377465.db2.gz YVSNDRPZFLFGGJ-FPOVZHCZSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540801462 939377467 /nfs/dbraw/zinc/37/74/67/939377467.db2.gz YVSNDRPZFLFGGJ-FPOVZHCZSA-N 1 1 419.884 4.270 20 5 HIBDMO COc1ccc(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541103976 939461563 /nfs/dbraw/zinc/46/15/63/939461563.db2.gz VJCRPNRQCDVGMD-FUHWJXTLSA-N 1 1 412.490 4.026 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000541193970 939485115 /nfs/dbraw/zinc/48/51/15/939485115.db2.gz AWYPVWVSBQUXMN-OAQYLSRUSA-N 1 1 424.888 4.464 20 5 HIBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541691729 939605834 /nfs/dbraw/zinc/60/58/34/939605834.db2.gz CQHBZGPGCRDGEH-HNNXBMFYSA-N 1 1 416.547 4.448 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000541780274 939628562 /nfs/dbraw/zinc/62/85/62/939628562.db2.gz GAQWNNPAHDHBDM-UHFFFAOYSA-N 1 1 406.845 4.127 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000541780274 939628563 /nfs/dbraw/zinc/62/85/63/939628563.db2.gz GAQWNNPAHDHBDM-UHFFFAOYSA-N 1 1 406.845 4.127 20 5 HIBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541785249 939629518 /nfs/dbraw/zinc/62/95/18/939629518.db2.gz JXHCQJWTRUUAFR-SGTLLEGYSA-N 1 1 424.835 4.341 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(n3ccnc3)CC2)cc1OC ZINC000541987296 939670731 /nfs/dbraw/zinc/67/07/31/939670731.db2.gz VHZVLDWXRPSSFV-MRXNPFEDSA-N 1 1 402.495 4.062 20 5 HIBDMO COc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542031625 939693479 /nfs/dbraw/zinc/69/34/79/939693479.db2.gz FHFYQBSKEBIKAE-AZUAARDMSA-N 1 1 424.501 4.122 20 5 HIBDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542092982 939708443 /nfs/dbraw/zinc/70/84/43/939708443.db2.gz GZDBWAIYWSOSAT-FUHWJXTLSA-N 1 1 420.872 4.126 20 5 HIBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542092982 939708447 /nfs/dbraw/zinc/70/84/47/939708447.db2.gz GZDBWAIYWSOSAT-FUHWJXTLSA-N 1 1 420.872 4.126 20 5 HIBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000542763889 939859748 /nfs/dbraw/zinc/85/97/48/939859748.db2.gz RTXVPOUAVMDSEQ-UHFFFAOYSA-N 1 1 400.454 4.110 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1OC ZINC000542916955 939877412 /nfs/dbraw/zinc/87/74/12/939877412.db2.gz RDZGAPBESYXSDW-IRXDYDNUSA-N 1 1 416.522 4.141 20 5 HIBDMO Cn1cc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000543636145 940144529 /nfs/dbraw/zinc/14/45/29/940144529.db2.gz WAWJAZXDCITIML-FCHUYYIVSA-N 1 1 424.476 4.487 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000543642585 940147114 /nfs/dbraw/zinc/14/71/14/940147114.db2.gz SIBVYYMVVRUZJO-RDJZCZTQSA-N 1 1 400.454 4.156 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000543783823 940185778 /nfs/dbraw/zinc/18/57/78/940185778.db2.gz PCJFMOCHTKMFNF-GFCCVEGCSA-N 1 1 416.384 4.181 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1OC ZINC000543813618 940195318 /nfs/dbraw/zinc/19/53/18/940195318.db2.gz GPXBXTNFUMKAGU-QFBILLFUSA-N 1 1 406.523 4.419 20 5 HIBDMO O=[N+]([O-])c1cc(Br)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000563842578 945312095 /nfs/dbraw/zinc/31/20/95/945312095.db2.gz SZQBFJCORYCIBW-KRWDZBQOSA-N 1 1 421.291 4.027 20 5 HIBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000544118262 940331036 /nfs/dbraw/zinc/33/10/36/940331036.db2.gz SRHGKLPPJSWXLL-QRWLVFNGSA-N 1 1 413.474 4.024 20 5 HIBDMO CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544848566 940518969 /nfs/dbraw/zinc/51/89/69/940518969.db2.gz DCNHGHZSOUMMRY-GOSISDBHSA-N 1 1 421.419 4.350 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc([C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000545523218 940573127 /nfs/dbraw/zinc/57/31/27/940573127.db2.gz GHGKQCDABATMHN-IBGZPJMESA-N 1 1 418.375 4.351 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000546534543 940846425 /nfs/dbraw/zinc/84/64/25/940846425.db2.gz VTBCNTYQUFLBLU-FUHWJXTLSA-N 1 1 413.493 4.181 20 5 HIBDMO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000546570824 940855460 /nfs/dbraw/zinc/85/54/60/940855460.db2.gz ZYXFDHCJMZWXRK-OAHLLOKOSA-N 1 1 419.522 4.101 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547263892 941047674 /nfs/dbraw/zinc/04/76/74/941047674.db2.gz KNBURNBPXIUZOD-IRXDYDNUSA-N 1 1 405.514 4.125 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000548974110 941137145 /nfs/dbraw/zinc/13/71/45/941137145.db2.gz OJYKFVKEVJWZIF-DEOSSOPVSA-N 1 1 423.513 4.122 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000549243474 941173546 /nfs/dbraw/zinc/17/35/46/941173546.db2.gz UTGQEWDQAPBGNK-QGZVFWFLSA-N 1 1 411.502 4.155 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000549243473 941173555 /nfs/dbraw/zinc/17/35/55/941173555.db2.gz UTGQEWDQAPBGNK-KRWDZBQOSA-N 1 1 411.502 4.155 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000550393466 941321604 /nfs/dbraw/zinc/32/16/04/941321604.db2.gz LRCDAOWHDLIICB-QGZVFWFLSA-N 1 1 403.866 4.039 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000550757084 941363623 /nfs/dbraw/zinc/36/36/23/941363623.db2.gz LXQAXPWSTNVGKP-ZDUSSCGKSA-N 1 1 423.391 4.259 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)NCc2ccccc2C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000550903981 941380932 /nfs/dbraw/zinc/38/09/32/941380932.db2.gz OJDGBFCVUFJEBM-IBGZPJMESA-N 1 1 424.545 4.252 20 5 HIBDMO Cc1ccc([C@@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263045 941438728 /nfs/dbraw/zinc/43/87/28/941438728.db2.gz LDEUYFHGFZAXMW-NFBKMPQASA-N 1 1 423.557 4.483 20 5 HIBDMO Cc1ccc([C@@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263045 941438729 /nfs/dbraw/zinc/43/87/29/941438729.db2.gz LDEUYFHGFZAXMW-NFBKMPQASA-N 1 1 423.557 4.483 20 5 HIBDMO Cc1ccc([C@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263047 941438794 /nfs/dbraw/zinc/43/87/94/941438794.db2.gz LDEUYFHGFZAXMW-NZQKXSOJSA-N 1 1 423.557 4.483 20 5 HIBDMO Cc1ccc([C@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263047 941438796 /nfs/dbraw/zinc/43/87/96/941438796.db2.gz LDEUYFHGFZAXMW-NZQKXSOJSA-N 1 1 423.557 4.483 20 5 HIBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000551325535 941452452 /nfs/dbraw/zinc/45/24/52/941452452.db2.gz GENPAXLARZCLRX-IRXDYDNUSA-N 1 1 411.502 4.120 20 5 HIBDMO COc1cc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c([N+](=O)[O-])cc1F ZINC000551721405 941533005 /nfs/dbraw/zinc/53/30/05/941533005.db2.gz SRVWRUXBHHHUFU-QGZVFWFLSA-N 1 1 410.243 4.141 20 5 HIBDMO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000552058451 941576509 /nfs/dbraw/zinc/57/65/09/941576509.db2.gz JZNVZCKPKXVDGL-LSTHTHJFSA-N 1 1 408.458 4.086 20 5 HIBDMO CCC[N@@H+](C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553242856 941855638 /nfs/dbraw/zinc/85/56/38/941855638.db2.gz MRYUUYXMIJAHQN-LJQANCHMSA-N 1 1 415.881 4.392 20 5 HIBDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000555152680 942406999 /nfs/dbraw/zinc/40/69/99/942406999.db2.gz OPRLDESFFNEETM-HKUYNNGSSA-N 1 1 411.502 4.194 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000556909801 942961432 /nfs/dbraw/zinc/96/14/32/942961432.db2.gz MLABTYYYYZWOJS-JOCHJYFZSA-N 1 1 418.497 4.327 20 5 HIBDMO C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000557460012 943141072 /nfs/dbraw/zinc/14/10/72/943141072.db2.gz SBGPNTBAZHVEJX-MGPUTAFESA-N 1 1 411.433 4.078 20 5 HIBDMO C[N@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000557624005 943236012 /nfs/dbraw/zinc/23/60/12/943236012.db2.gz ALCPJCCAEZDMAL-BZNIZROVSA-N 1 1 421.885 4.497 20 5 HIBDMO O=[N+]([O-])c1cccc(Br)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000558464777 943566828 /nfs/dbraw/zinc/56/68/28/943566828.db2.gz USDBBGOFOUWDBL-INIZCTEOSA-N 1 1 421.291 4.027 20 5 HIBDMO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000560537572 944246899 /nfs/dbraw/zinc/24/68/99/944246899.db2.gz BPGXTZMODPQLFU-YSIASYRMSA-N 1 1 408.458 4.086 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CO)CC3)o2)c(Br)c1 ZINC000560628900 944279201 /nfs/dbraw/zinc/27/92/01/944279201.db2.gz JBRJVQVLGKJCNN-ZDUSSCGKSA-N 1 1 409.280 4.212 20 5 HIBDMO CC(=O)NCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(C)s1 ZINC000561013435 944396808 /nfs/dbraw/zinc/39/68/08/944396808.db2.gz JMMJNOULXRLZOH-UHFFFAOYSA-N 1 1 413.499 4.363 20 5 HIBDMO CC(=O)NCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(C)s1 ZINC000561013435 944396817 /nfs/dbraw/zinc/39/68/17/944396817.db2.gz JMMJNOULXRLZOH-UHFFFAOYSA-N 1 1 413.499 4.363 20 5 HIBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000561260030 944531351 /nfs/dbraw/zinc/53/13/51/944531351.db2.gz ZNULVFGXTANVAI-WMZOPIPTSA-N 1 1 409.515 4.090 20 5 HIBDMO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000565099378 945774017 /nfs/dbraw/zinc/77/40/17/945774017.db2.gz ZILROVGHWVGPJR-GFCCVEGCSA-N 1 1 403.895 4.136 20 5 HIBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000566889355 946159529 /nfs/dbraw/zinc/15/95/29/946159529.db2.gz CSEQXXZKUHUHNS-UHFFFAOYSA-N 1 1 418.877 4.453 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567541815 946367067 /nfs/dbraw/zinc/36/70/67/946367067.db2.gz QLXXVYVXHCQLPV-UWJYYQICSA-N 1 1 424.501 4.102 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567541815 946367077 /nfs/dbraw/zinc/36/70/77/946367077.db2.gz QLXXVYVXHCQLPV-UWJYYQICSA-N 1 1 424.501 4.102 20 5 HIBDMO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c(Cl)c1 ZINC000567648849 946392032 /nfs/dbraw/zinc/39/20/32/946392032.db2.gz SBVBSFIVBNBJGD-UHFFFAOYSA-N 1 1 413.865 4.375 20 5 HIBDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000568546492 946587382 /nfs/dbraw/zinc/58/73/82/946587382.db2.gz AFEAGXAGVAFMHZ-AWEZNQCLSA-N 1 1 409.408 4.139 20 5 HIBDMO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000570555096 947292428 /nfs/dbraw/zinc/29/24/28/947292428.db2.gz PKESJLMIOVBHNW-VIFPVBQESA-N 1 1 418.181 4.328 20 5 HIBDMO CN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000573274494 948135274 /nfs/dbraw/zinc/13/52/74/948135274.db2.gz ZQTRTHWHTLMHCC-UHFFFAOYSA-N 1 1 418.497 4.302 20 5 HIBDMO CN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000573274494 948135285 /nfs/dbraw/zinc/13/52/85/948135285.db2.gz ZQTRTHWHTLMHCC-UHFFFAOYSA-N 1 1 418.497 4.302 20 5 HIBDMO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000573633071 948259623 /nfs/dbraw/zinc/25/96/23/948259623.db2.gz XXFWSMPUKFPWHF-JMUQELJHSA-N 1 1 419.529 4.060 20 5 HIBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000574326464 948413528 /nfs/dbraw/zinc/41/35/28/948413528.db2.gz NGXVEAMIPNZIFS-FXAWDEMLSA-N 1 1 410.518 4.152 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000574560565 948474217 /nfs/dbraw/zinc/47/42/17/948474217.db2.gz KHBQKWDQSDJUDW-UXHICEINSA-N 1 1 408.502 4.197 20 5 HIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627854 719068203 /nfs/dbraw/zinc/06/82/03/719068203.db2.gz RJBWPXXTHXSERM-IERDGZPVSA-N 1 1 423.904 4.292 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)cc1 ZINC001164629058 719096113 /nfs/dbraw/zinc/09/61/13/719096113.db2.gz QPUUKHWHGQFKBL-NZQKXSOJSA-N 1 1 415.497 4.153 20 5 HIBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726932 720441976 /nfs/dbraw/zinc/44/19/76/720441976.db2.gz CGXQVXMDKRWWSJ-OALUTQOASA-N 1 1 409.877 4.045 20 5 HIBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000016500913 846179624 /nfs/dbraw/zinc/17/96/24/846179624.db2.gz DYIADIOEIRJCGO-UHFFFAOYSA-N 1 1 422.407 4.353 20 5 HIBDMO CCOc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000026454549 847153934 /nfs/dbraw/zinc/15/39/34/847153934.db2.gz UXSODVWLTHCJNK-CYBMUJFWSA-N 1 1 423.416 4.054 20 5 HIBDMO CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000026454549 847153939 /nfs/dbraw/zinc/15/39/39/847153939.db2.gz UXSODVWLTHCJNK-CYBMUJFWSA-N 1 1 423.416 4.054 20 5 HIBDMO COc1ccc2cc(C[N@H+](C)Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2c1 ZINC000028730685 847453864 /nfs/dbraw/zinc/45/38/64/847453864.db2.gz NAHBCMPWWFVVSE-UHFFFAOYSA-N 1 1 404.426 4.439 20 5 HIBDMO COc1ccc2cc(C[N@@H+](C)Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2c1 ZINC000028730685 847453868 /nfs/dbraw/zinc/45/38/68/847453868.db2.gz NAHBCMPWWFVVSE-UHFFFAOYSA-N 1 1 404.426 4.439 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000043644346 848445392 /nfs/dbraw/zinc/44/53/92/848445392.db2.gz XBAMJMBBWJEZAZ-UHFFFAOYSA-N 1 1 411.380 4.083 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000046583438 848879198 /nfs/dbraw/zinc/87/91/98/848879198.db2.gz IAIIXQATFZVFHW-UHFFFAOYSA-N 1 1 423.391 4.225 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000046583438 848879203 /nfs/dbraw/zinc/87/92/03/848879203.db2.gz IAIIXQATFZVFHW-UHFFFAOYSA-N 1 1 423.391 4.225 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000055855477 850180920 /nfs/dbraw/zinc/18/09/20/850180920.db2.gz MZOFYAVFSDGXGI-QFIPXVFZSA-N 1 1 409.417 4.060 20 5 HIBDMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000055855326 850181246 /nfs/dbraw/zinc/18/12/46/850181246.db2.gz FEWDFRDHZWLNKV-QHCPKHFHSA-N 1 1 405.429 4.002 20 5 HIBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)CCO1 ZINC000063248337 851640520 /nfs/dbraw/zinc/64/05/20/851640520.db2.gz BVOHEVFEPOKKSA-AWEZNQCLSA-N 1 1 409.408 4.446 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)CCO1 ZINC000063248337 851640525 /nfs/dbraw/zinc/64/05/25/851640525.db2.gz BVOHEVFEPOKKSA-AWEZNQCLSA-N 1 1 409.408 4.446 20 5 HIBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065309200 852103793 /nfs/dbraw/zinc/10/37/93/852103793.db2.gz QTFXZLOMBLBNCJ-UHFFFAOYSA-N 1 1 419.466 4.142 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065511601 852162142 /nfs/dbraw/zinc/16/21/42/852162142.db2.gz NBWQDPHTZKBWBO-GOSISDBHSA-N 1 1 410.518 4.011 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)C1 ZINC000065734345 852238584 /nfs/dbraw/zinc/23/85/84/852238584.db2.gz QYUUEKCDKJJIOZ-QGZVFWFLSA-N 1 1 406.486 4.420 20 5 HIBDMO COc1cc(C[NH+]2CCC(N(C)c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000065956646 852333018 /nfs/dbraw/zinc/33/30/18/852333018.db2.gz JWAHPHSWEBADPF-UHFFFAOYSA-N 1 1 421.444 4.306 20 5 HIBDMO COc1ccc(CC2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000109966172 853039519 /nfs/dbraw/zinc/03/95/19/853039519.db2.gz PPZXCLDOESIHIR-UHFFFAOYSA-N 1 1 408.458 4.108 20 5 HIBDMO CCC[N@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)[C@@H]1CCc2ccccc2C1 ZINC000140738207 853451086 /nfs/dbraw/zinc/45/10/86/853451086.db2.gz OAXNQEXRBFMQOQ-OAQYLSRUSA-N 1 1 418.497 4.046 20 5 HIBDMO CCC[N@@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)[C@@H]1CCc2ccccc2C1 ZINC000140738207 853451104 /nfs/dbraw/zinc/45/11/04/853451104.db2.gz OAXNQEXRBFMQOQ-OAQYLSRUSA-N 1 1 418.497 4.046 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000164574677 853649115 /nfs/dbraw/zinc/64/91/15/853649115.db2.gz KBWNRQXRFFIZQB-HSZRJFAPSA-N 1 1 404.470 4.139 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000164574677 853649116 /nfs/dbraw/zinc/64/91/16/853649116.db2.gz KBWNRQXRFFIZQB-HSZRJFAPSA-N 1 1 404.470 4.139 20 5 HIBDMO Cc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] ZINC000237591590 854059303 /nfs/dbraw/zinc/05/93/03/854059303.db2.gz KZSGBKUPIXQDBV-LBPRGKRZSA-N 1 1 407.264 4.288 20 5 HIBDMO Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237894215 854115900 /nfs/dbraw/zinc/11/59/00/854115900.db2.gz OHBQEHNRNRLPRL-JOCHJYFZSA-N 1 1 410.495 4.186 20 5 HIBDMO COc1cccc(C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C2CCC(O)CC2)c1 ZINC000261400671 854249388 /nfs/dbraw/zinc/24/93/88/854249388.db2.gz QWQVFPMDZQXDLP-UHFFFAOYSA-N 1 1 414.502 4.178 20 5 HIBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301433486 854393509 /nfs/dbraw/zinc/39/35/09/854393509.db2.gz RCPQYYRUILTVLW-OXJNMPFZSA-N 1 1 416.547 4.290 20 5 HIBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@H]1c1cccs1 ZINC000301449142 854397981 /nfs/dbraw/zinc/39/79/81/854397981.db2.gz WROXVCAMOGKOQZ-KUHUBIRLSA-N 1 1 416.503 4.108 20 5 HIBDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4ccc([N+](=O)[O-])cc4C3)c2c1C ZINC000301552815 854419024 /nfs/dbraw/zinc/41/90/24/854419024.db2.gz HIYIDFCNQZWYGW-UHFFFAOYSA-N 1 1 423.542 4.375 20 5 HIBDMO Cc1nc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301675046 854441939 /nfs/dbraw/zinc/44/19/39/854441939.db2.gz PYEJGOLBQQHKFW-UHFFFAOYSA-N 1 1 405.296 4.137 20 5 HIBDMO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000301876408 854482471 /nfs/dbraw/zinc/48/24/71/854482471.db2.gz IVRILXURRCUPQS-LBPRGKRZSA-N 1 1 411.325 4.138 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000301936909 854498367 /nfs/dbraw/zinc/49/83/67/854498367.db2.gz QOPHPWUYOMECBC-AWEZNQCLSA-N 1 1 423.560 4.046 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1OCc1ccccc1 ZINC000302169194 854541330 /nfs/dbraw/zinc/54/13/30/854541330.db2.gz LCPJWMPUNLRIFM-UYAOXDASSA-N 1 1 408.502 4.022 20 5 HIBDMO C[C@@]1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCC[N@H+]1Cc1ccccc1 ZINC000302389616 854567391 /nfs/dbraw/zinc/56/73/91/854567391.db2.gz HZSBVAKNOJVXII-QFIPXVFZSA-N 1 1 410.474 4.018 20 5 HIBDMO Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2cc([N+](=O)[O-])ccc2n1 ZINC000302878378 854665239 /nfs/dbraw/zinc/66/52/39/854665239.db2.gz HCIYCLKTJOGWDQ-FQEVSTJZSA-N 1 1 406.486 4.020 20 5 HIBDMO Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c2cc([N+](=O)[O-])ccc2n1 ZINC000302878378 854665248 /nfs/dbraw/zinc/66/52/48/854665248.db2.gz HCIYCLKTJOGWDQ-FQEVSTJZSA-N 1 1 406.486 4.020 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303068821 854746767 /nfs/dbraw/zinc/74/67/67/854746767.db2.gz OAVYGDDTWHMIAC-NRFANRHFSA-N 1 1 421.522 4.494 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303068821 854746772 /nfs/dbraw/zinc/74/67/72/854746772.db2.gz OAVYGDDTWHMIAC-NRFANRHFSA-N 1 1 421.522 4.494 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1)[NH+]1CCOCC1 ZINC000437355966 862637163 /nfs/dbraw/zinc/63/71/63/862637163.db2.gz MUMSVROYUGJIFD-ZDUSSCGKSA-N 1 1 423.391 4.259 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000303688276 855134218 /nfs/dbraw/zinc/13/42/18/855134218.db2.gz LYDXYXKSVHDZAG-CQSZACIVSA-N 1 1 412.421 4.388 20 5 HIBDMO C[C@H]1C[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000303747776 855170027 /nfs/dbraw/zinc/17/00/27/855170027.db2.gz KOCBSNDTVZFVPN-PXNSSMCTSA-N 1 1 421.501 4.130 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000303782283 855195659 /nfs/dbraw/zinc/19/56/59/855195659.db2.gz SRCXRQFIITVTDP-SJLPKXTDSA-N 1 1 413.543 4.442 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000303782284 855195797 /nfs/dbraw/zinc/19/57/97/855195797.db2.gz SRCXRQFIITVTDP-WMZOPIPTSA-N 1 1 413.543 4.442 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000303782281 855196122 /nfs/dbraw/zinc/19/61/22/855196122.db2.gz SRCXRQFIITVTDP-AEFFLSMTSA-N 1 1 413.543 4.442 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995114 856035477 /nfs/dbraw/zinc/03/54/77/856035477.db2.gz KBBXCZJZUWUIGF-FXAWDEMLSA-N 1 1 408.502 4.104 20 5 HIBDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426511714 856327399 /nfs/dbraw/zinc/32/73/99/856327399.db2.gz UGAWRWSLRXFPKN-FQEVSTJZSA-N 1 1 414.893 4.468 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250957 857574478 /nfs/dbraw/zinc/57/44/78/857574478.db2.gz AJLBRLVSRMZBTG-NFBKMPQASA-N 1 1 423.513 4.332 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250957 857574489 /nfs/dbraw/zinc/57/44/89/857574489.db2.gz AJLBRLVSRMZBTG-NFBKMPQASA-N 1 1 423.513 4.332 20 5 HIBDMO CSC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286584 857591492 /nfs/dbraw/zinc/59/14/92/857591492.db2.gz SDKRPYJRCNWXIY-UONOGXRCSA-N 1 1 420.560 4.120 20 5 HIBDMO CSC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286584 857591496 /nfs/dbraw/zinc/59/14/96/857591496.db2.gz SDKRPYJRCNWXIY-UONOGXRCSA-N 1 1 420.560 4.120 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430097599 858030819 /nfs/dbraw/zinc/03/08/19/858030819.db2.gz UYPZTQMPRUHGRK-CABCVRRESA-N 1 1 410.339 4.022 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430097599 858030822 /nfs/dbraw/zinc/03/08/22/858030822.db2.gz UYPZTQMPRUHGRK-CABCVRRESA-N 1 1 410.339 4.022 20 5 HIBDMO COc1ccccc1-c1ncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000430225057 858088525 /nfs/dbraw/zinc/08/85/25/858088525.db2.gz IQDUVNXTFBDTFW-UHFFFAOYSA-N 1 1 420.469 4.104 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000430992271 858395495 /nfs/dbraw/zinc/39/54/95/858395495.db2.gz XZOXDXLFGXSROX-HNNXBMFYSA-N 1 1 401.488 4.031 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000430992273 858395692 /nfs/dbraw/zinc/39/56/92/858395692.db2.gz XZOXDXLFGXSROX-OAHLLOKOSA-N 1 1 401.488 4.031 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431335700 858570975 /nfs/dbraw/zinc/57/09/75/858570975.db2.gz DZRVWIZYZIHHOX-CABCVRRESA-N 1 1 424.339 4.084 20 5 HIBDMO C[N@@H+](CCOc1cccc(CNc2c(Cl)cccc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000432349001 859114955 /nfs/dbraw/zinc/11/49/55/859114955.db2.gz TYSQDMMJIAFDME-UHFFFAOYSA-N 1 1 419.909 4.350 20 5 HIBDMO C[C@H](c1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000433139994 859536646 /nfs/dbraw/zinc/53/66/46/859536646.db2.gz DLHLWJUAJQBRLG-MRXNPFEDSA-N 1 1 412.490 4.045 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434853644 860523610 /nfs/dbraw/zinc/52/36/10/860523610.db2.gz BGGOXQSVKQDAMI-UHFFFAOYSA-N 1 1 409.421 4.330 20 5 HIBDMO C[C@H](c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)[NH+]1CCOCC1 ZINC000437801067 863121074 /nfs/dbraw/zinc/12/10/74/863121074.db2.gz NSBHWLIYXJLJPD-QGZVFWFLSA-N 1 1 424.501 4.185 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438320105 863798954 /nfs/dbraw/zinc/79/89/54/863798954.db2.gz BULWUUUAXDAVTR-FQEVSTJZSA-N 1 1 400.523 4.066 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000439884862 865196377 /nfs/dbraw/zinc/19/63/77/865196377.db2.gz XDWIBPWGAIOVEC-WMZOPIPTSA-N 1 1 412.490 4.168 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000439898991 865211425 /nfs/dbraw/zinc/21/14/25/865211425.db2.gz JCGFEVGYQBDKGD-APWZRJJASA-N 1 1 412.490 4.026 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000439906484 865215477 /nfs/dbraw/zinc/21/54/77/865215477.db2.gz YPEIRARKUSUGIR-KRWDZBQOSA-N 1 1 412.490 4.122 20 5 HIBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441062675 866142540 /nfs/dbraw/zinc/14/25/40/866142540.db2.gz NMVJGDFNOPFYNB-FUHWJXTLSA-N 1 1 411.527 4.302 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000468190300 882067382 /nfs/dbraw/zinc/06/73/82/882067382.db2.gz ZZVMNPOPZVDZQV-UHFFFAOYSA-N 1 1 412.671 4.325 20 5 HIBDMO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443875026 868406016 /nfs/dbraw/zinc/40/60/16/868406016.db2.gz IJBCPDXJAMVJBV-YYFZDKIDSA-N 1 1 417.893 4.163 20 5 HIBDMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443875026 868406031 /nfs/dbraw/zinc/40/60/31/868406031.db2.gz IJBCPDXJAMVJBV-YYFZDKIDSA-N 1 1 417.893 4.163 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000443943657 868480315 /nfs/dbraw/zinc/48/03/15/868480315.db2.gz CKSYUTCLWUZSFB-UHFFFAOYSA-N 1 1 410.518 4.384 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444177340 868649747 /nfs/dbraw/zinc/64/97/47/868649747.db2.gz UZYJEEGTGNGAMF-WMZOPIPTSA-N 1 1 408.458 4.245 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000444656834 868934593 /nfs/dbraw/zinc/93/45/93/868934593.db2.gz IHONMWPLAKXBCZ-CQSZACIVSA-N 1 1 422.420 4.040 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000444656834 868934609 /nfs/dbraw/zinc/93/46/09/868934609.db2.gz IHONMWPLAKXBCZ-CQSZACIVSA-N 1 1 422.420 4.040 20 5 HIBDMO Cc1cc(C)cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000444708714 868968405 /nfs/dbraw/zinc/96/84/05/868968405.db2.gz OVPIVIUXEMRPNA-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO Cc1cc(C)cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000444708714 868968413 /nfs/dbraw/zinc/96/84/13/868968413.db2.gz OVPIVIUXEMRPNA-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000444779772 868999246 /nfs/dbraw/zinc/99/92/46/868999246.db2.gz LOCBOAZQHBOGAW-INIZCTEOSA-N 1 1 411.380 4.134 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000444803074 869017125 /nfs/dbraw/zinc/01/71/25/869017125.db2.gz NCVADBZIVTYYBG-SJORKVTESA-N 1 1 416.522 4.141 20 5 HIBDMO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000447535513 871400884 /nfs/dbraw/zinc/40/08/84/871400884.db2.gz GQXONLWANIEGKI-NXMSCROESA-N 1 1 409.530 4.371 20 5 HIBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357148 872304826 /nfs/dbraw/zinc/30/48/26/872304826.db2.gz VVQVZWYJWKWQOU-CKNLXJGOSA-N 1 1 406.866 4.277 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000461469745 874526157 /nfs/dbraw/zinc/52/61/57/874526157.db2.gz PDMJBKJVWAZAEG-SFHVURJKSA-N 1 1 406.486 4.108 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000462489550 875600632 /nfs/dbraw/zinc/60/06/32/875600632.db2.gz KZIMTYKRPHBINJ-SFHVURJKSA-N 1 1 413.543 4.351 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000462501738 875617888 /nfs/dbraw/zinc/61/78/88/875617888.db2.gz MZMQZLFVQXHTMK-RHKLGIMNSA-N 1 1 421.541 4.475 20 5 HIBDMO CC[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000463420581 876475406 /nfs/dbraw/zinc/47/54/06/876475406.db2.gz ABHIZTYDEPMPNQ-QGZVFWFLSA-N 1 1 421.419 4.180 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)c3ccc(Br)cc3)o2)cc1 ZINC000503265513 912247895 /nfs/dbraw/zinc/24/78/95/912247895.db2.gz MIKMSFQKAJLLTF-SFHVURJKSA-N 1 1 417.259 4.441 20 5 HIBDMO COc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1Br ZINC000464485012 877704779 /nfs/dbraw/zinc/70/47/79/877704779.db2.gz DIXBACYGQSOBSC-JTQLQIEISA-N 1 1 413.243 4.364 20 5 HIBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000464677130 877894178 /nfs/dbraw/zinc/89/41/78/877894178.db2.gz LOMICPBOMILTQC-LPHOPBHVSA-N 1 1 401.482 4.227 20 5 HIBDMO Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C2CC2)cc1 ZINC000464771319 878014352 /nfs/dbraw/zinc/01/43/52/878014352.db2.gz DDRWGIAFCVACOG-XMMPIXPASA-N 1 1 423.513 4.014 20 5 HIBDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782625 878026583 /nfs/dbraw/zinc/02/65/83/878026583.db2.gz YUNZGWZKHFHCCX-QZTJIDSGSA-N 1 1 411.502 4.012 20 5 HIBDMO O=C([C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000464785338 878032561 /nfs/dbraw/zinc/03/25/61/878032561.db2.gz NXUNAQCXOHTPSH-HSZRJFAPSA-N 1 1 423.513 4.192 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840393 878107973 /nfs/dbraw/zinc/10/79/73/878107973.db2.gz UNGAWJZUTMTHJG-HKUYNNGSSA-N 1 1 421.501 4.160 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464952418 878289689 /nfs/dbraw/zinc/28/96/89/878289689.db2.gz NKKVHUCKMDDWAM-QGZVFWFLSA-N 1 1 401.894 4.232 20 5 HIBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000464969585 878309056 /nfs/dbraw/zinc/30/90/56/878309056.db2.gz AOBIFSIBMJLHIC-IBGZPJMESA-N 1 1 409.530 4.486 20 5 HIBDMO CSc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465187111 878579585 /nfs/dbraw/zinc/57/95/85/878579585.db2.gz IHKSSLWLCAUJPP-OAHLLOKOSA-N 1 1 415.515 4.290 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000466005539 879685166 /nfs/dbraw/zinc/68/51/66/879685166.db2.gz FVTQDYIZQDSGFZ-UHFFFAOYSA-N 1 1 424.457 4.150 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000466005539 879685173 /nfs/dbraw/zinc/68/51/73/879685173.db2.gz FVTQDYIZQDSGFZ-UHFFFAOYSA-N 1 1 424.457 4.150 20 5 HIBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000466008202 879688696 /nfs/dbraw/zinc/68/86/96/879688696.db2.gz WUCYZIAQQORYIY-UHFFFAOYSA-N 1 1 422.485 4.161 20 5 HIBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000466008202 879688699 /nfs/dbraw/zinc/68/86/99/879688699.db2.gz WUCYZIAQQORYIY-UHFFFAOYSA-N 1 1 422.485 4.161 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)c(Cl)c1 ZINC000466463572 880245553 /nfs/dbraw/zinc/24/55/53/880245553.db2.gz ZBIZVGWIZSOABC-UHFFFAOYSA-N 1 1 421.682 4.486 20 5 HIBDMO C[N@@H+](C[C@@H]1CCCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140690 880883414 /nfs/dbraw/zinc/88/34/14/880883414.db2.gz ZBEYYJYRWZCJLN-YWZLYKJASA-N 1 1 417.893 4.286 20 5 HIBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1C[NH+]1CCSCC1 ZINC000467154416 880889221 /nfs/dbraw/zinc/88/92/21/880889221.db2.gz ZBBZWWXUPUXKKV-UHFFFAOYSA-N 1 1 420.922 4.119 20 5 HIBDMO COC[C@@H]1CCCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320741 881068681 /nfs/dbraw/zinc/06/86/81/881068681.db2.gz DMKJMJWEVUJPAR-GCJKJVERSA-N 1 1 411.502 4.332 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377789 881152829 /nfs/dbraw/zinc/15/28/29/881152829.db2.gz PLLZMUOHVNHGFH-OPAMFIHVSA-N 1 1 400.475 4.039 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036358 885545433 /nfs/dbraw/zinc/54/54/33/885545433.db2.gz ZFUMEDMQNPLGSP-GCJKJVERSA-N 1 1 424.501 4.102 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036358 885545440 /nfs/dbraw/zinc/54/54/40/885545440.db2.gz ZFUMEDMQNPLGSP-GCJKJVERSA-N 1 1 424.501 4.102 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000471058330 885573983 /nfs/dbraw/zinc/57/39/83/885573983.db2.gz YYGZPASKCZAZDX-IEBWSBKVSA-N 1 1 411.502 4.024 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000471926464 886718384 /nfs/dbraw/zinc/71/83/84/886718384.db2.gz DGWHQYHCXJZXHT-SFTDATJTSA-N 1 1 410.474 4.011 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000472502709 887370855 /nfs/dbraw/zinc/37/08/55/887370855.db2.gz OXZRSIXIKPJJSO-QVDMIQRCSA-N 1 1 401.894 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472619961 887487916 /nfs/dbraw/zinc/48/79/16/887487916.db2.gz DWIDSXGBLAYXQD-QHCPKHFHSA-N 1 1 409.486 4.202 20 5 HIBDMO CCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473492434 888213547 /nfs/dbraw/zinc/21/35/47/888213547.db2.gz ATORAEDFKCJZAS-DEOSSOPVSA-N 1 1 407.514 4.286 20 5 HIBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503254 888229560 /nfs/dbraw/zinc/22/95/60/888229560.db2.gz MLFJRNLTTSPVKA-QFIPXVFZSA-N 1 1 413.905 4.377 20 5 HIBDMO C[C@@H](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000474152376 888983004 /nfs/dbraw/zinc/98/30/04/888983004.db2.gz RCAFTVDCVQYOSA-SFHVURJKSA-N 1 1 410.518 4.153 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000475204250 890075165 /nfs/dbraw/zinc/07/51/65/890075165.db2.gz OIABIALJTXXLCE-UHFFFAOYSA-N 1 1 422.407 4.353 20 5 HIBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000475565786 890496323 /nfs/dbraw/zinc/49/63/23/890496323.db2.gz MYCPTZROHFILIC-HNNXBMFYSA-N 1 1 412.442 4.476 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000475579326 890508363 /nfs/dbraw/zinc/50/83/63/890508363.db2.gz ADNMMIRBCVACAT-KRWDZBQOSA-N 1 1 404.850 4.137 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000475579326 890508370 /nfs/dbraw/zinc/50/83/70/890508370.db2.gz ADNMMIRBCVACAT-KRWDZBQOSA-N 1 1 404.850 4.137 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000475582600 890511492 /nfs/dbraw/zinc/51/14/92/890511492.db2.gz KMPNCKKMQKGMTO-UHFFFAOYSA-N 1 1 416.861 4.089 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000475582600 890511505 /nfs/dbraw/zinc/51/15/05/890511505.db2.gz KMPNCKKMQKGMTO-UHFFFAOYSA-N 1 1 416.861 4.089 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000475644233 890587161 /nfs/dbraw/zinc/58/71/61/890587161.db2.gz YZIDLRYVCFJKNR-DNVCBOLYSA-N 1 1 402.520 4.478 20 5 HIBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](CCSC)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000504912196 913647167 /nfs/dbraw/zinc/64/71/67/913647167.db2.gz RXFHHWSFSLBPKI-GDBMZVCRSA-N 1 1 415.519 4.181 20 5 HIBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000479509730 894823467 /nfs/dbraw/zinc/82/34/67/894823467.db2.gz COAHKDDLKUVVHN-WFASDCNBSA-N 1 1 414.380 4.276 20 5 HIBDMO CC(C)c1nc(C2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)no1 ZINC000505281369 913940463 /nfs/dbraw/zinc/94/04/63/913940463.db2.gz NNORPBJZWKNZTD-CYBMUJFWSA-N 1 1 412.450 4.092 20 5 HIBDMO COc1cc(CN2CCC[N@H+](C(C)C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000505302552 913963389 /nfs/dbraw/zinc/96/33/89/913963389.db2.gz WODMCYBPMNAUDQ-UHFFFAOYSA-N 1 1 413.518 4.099 20 5 HIBDMO Cc1c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480073991 895426356 /nfs/dbraw/zinc/42/63/56/895426356.db2.gz XXIAAPNRFBBGRQ-GMAHTHKFSA-N 1 1 422.529 4.099 20 5 HIBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481283350 896629926 /nfs/dbraw/zinc/62/99/26/896629926.db2.gz LTWJIJCPSCKKJY-ROUUACIJSA-N 1 1 415.877 4.397 20 5 HIBDMO Cn1c2ccccc2nc1[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000481422101 896824068 /nfs/dbraw/zinc/82/40/68/896824068.db2.gz RUYJELPXHNBRAA-JOCHJYFZSA-N 1 1 402.454 4.240 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481693540 897078534 /nfs/dbraw/zinc/07/85/34/897078534.db2.gz SVMMCJIEVSMWSK-NYHFZMIOSA-N 1 1 406.442 4.227 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481693540 897078546 /nfs/dbraw/zinc/07/85/46/897078546.db2.gz SVMMCJIEVSMWSK-NYHFZMIOSA-N 1 1 406.442 4.227 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481872899 897243522 /nfs/dbraw/zinc/24/35/22/897243522.db2.gz JFTBAAAYFVJLLT-RXVVDRJESA-N 1 1 419.481 4.468 20 5 HIBDMO COCC1=CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000482489493 898068886 /nfs/dbraw/zinc/06/88/86/898068886.db2.gz UGCDXWLCINBFMQ-UHFFFAOYSA-N 1 1 407.264 4.396 20 5 HIBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496669 898077675 /nfs/dbraw/zinc/07/76/75/898077675.db2.gz RWYKYFOTBCFLJZ-HOCLYGCPSA-N 1 1 422.865 4.051 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(c4nnc5n4CCCC5)CC3)cs2)c1 ZINC000482509475 898092759 /nfs/dbraw/zinc/09/27/59/898092759.db2.gz MVULQCYQAZZRRY-UHFFFAOYSA-N 1 1 424.530 4.026 20 5 HIBDMO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709887 898309604 /nfs/dbraw/zinc/30/96/04/898309604.db2.gz UOFSKMJVGTZUHO-IRXDYDNUSA-N 1 1 403.548 4.067 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482762961 898369881 /nfs/dbraw/zinc/36/98/81/898369881.db2.gz ZVJLPPUVZGNPGP-WIYYLYMNSA-N 1 1 424.501 4.122 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482803010 898413301 /nfs/dbraw/zinc/41/33/01/898413301.db2.gz XBVSLLDGSWILFY-KNQAVFIVSA-N 1 1 408.502 4.422 20 5 HIBDMO CC[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000505616930 914320129 /nfs/dbraw/zinc/32/01/29/914320129.db2.gz XHULOIHDOXFVSA-MRXNPFEDSA-N 1 1 424.906 4.050 20 5 HIBDMO CC[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000505616930 914320139 /nfs/dbraw/zinc/32/01/39/914320139.db2.gz XHULOIHDOXFVSA-MRXNPFEDSA-N 1 1 424.906 4.050 20 5 HIBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483596859 899246748 /nfs/dbraw/zinc/24/67/48/899246748.db2.gz WCNVLEAJQDTTSN-TZIWHRDSSA-N 1 1 418.497 4.203 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000484818525 900220837 /nfs/dbraw/zinc/22/08/37/900220837.db2.gz HFCMNBIQEOBNMB-MRXNPFEDSA-N 1 1 401.532 4.232 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000484818524 900221126 /nfs/dbraw/zinc/22/11/26/900221126.db2.gz HFCMNBIQEOBNMB-INIZCTEOSA-N 1 1 401.532 4.232 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000485946567 901167363 /nfs/dbraw/zinc/16/73/63/901167363.db2.gz WOYHDFOBYUATNO-UHFFFAOYSA-N 1 1 414.462 4.270 20 5 HIBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000485983628 901201874 /nfs/dbraw/zinc/20/18/74/901201874.db2.gz RLKBLNKQHSMJSH-AWEZNQCLSA-N 1 1 416.279 4.079 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486427348 901585557 /nfs/dbraw/zinc/58/55/57/901585557.db2.gz WUNVSZPLXWPXPP-GOSISDBHSA-N 1 1 413.543 4.301 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487847060 902405652 /nfs/dbraw/zinc/40/56/52/902405652.db2.gz ZLPORBVAYRGVEI-BBTUJRGHSA-N 1 1 410.518 4.174 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488458398 902835076 /nfs/dbraw/zinc/83/50/76/902835076.db2.gz BZGDFZYJNMVWMY-KXBFYZLASA-N 1 1 409.511 4.450 20 5 HIBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@@H]21 ZINC000488467209 902839644 /nfs/dbraw/zinc/83/96/44/902839644.db2.gz WWQUQOPGZOORRB-UTKZUKDTSA-N 1 1 411.527 4.302 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000488498712 902856783 /nfs/dbraw/zinc/85/67/83/902856783.db2.gz MRVIBIAYNXYYGY-XGHQBKJUSA-N 1 1 413.543 4.102 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489486770 903414990 /nfs/dbraw/zinc/41/49/90/903414990.db2.gz SIGWVAXBTZMKKD-FXAWDEMLSA-N 1 1 410.518 4.040 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1)C(C)C ZINC000489759055 903584272 /nfs/dbraw/zinc/58/42/72/903584272.db2.gz XCLZFSCYUYQBGJ-UHFFFAOYSA-N 1 1 413.474 4.172 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000489914241 903670118 /nfs/dbraw/zinc/67/01/18/903670118.db2.gz ASEKAJKIWHXENO-IEBWSBKVSA-N 1 1 416.909 4.228 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000489914241 903670127 /nfs/dbraw/zinc/67/01/27/903670127.db2.gz ASEKAJKIWHXENO-IEBWSBKVSA-N 1 1 416.909 4.228 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000490143658 903789374 /nfs/dbraw/zinc/78/93/74/903789374.db2.gz MSLLVRIILATRAX-UHFFFAOYSA-N 1 1 403.529 4.118 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490252060 903855482 /nfs/dbraw/zinc/85/54/82/903855482.db2.gz UHCCBLRKYHFJMA-WOJBJXKFSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490252060 903855488 /nfs/dbraw/zinc/85/54/88/903855488.db2.gz UHCCBLRKYHFJMA-WOJBJXKFSA-N 1 1 403.429 4.135 20 5 HIBDMO COc1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000490402349 903986160 /nfs/dbraw/zinc/98/61/60/903986160.db2.gz NAZGCJDHYIQDFM-SUMWQHHRSA-N 1 1 402.463 4.107 20 5 HIBDMO COc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000490402349 903986166 /nfs/dbraw/zinc/98/61/66/903986166.db2.gz NAZGCJDHYIQDFM-SUMWQHHRSA-N 1 1 402.463 4.107 20 5 HIBDMO C[C@@H](OC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451343 904017622 /nfs/dbraw/zinc/01/76/22/904017622.db2.gz GMGJRHBEABEBJX-QVKFZJNVSA-N 1 1 404.894 4.351 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000491143768 904453288 /nfs/dbraw/zinc/45/32/88/904453288.db2.gz YTYQWHZSTWQSPN-OAHLLOKOSA-N 1 1 400.385 4.303 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cs1 ZINC000506126623 914814176 /nfs/dbraw/zinc/81/41/76/914814176.db2.gz UVYNKIFGYWFCGF-GFCCVEGCSA-N 1 1 411.409 4.097 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cs1 ZINC000506126623 914814177 /nfs/dbraw/zinc/81/41/77/914814177.db2.gz UVYNKIFGYWFCGF-GFCCVEGCSA-N 1 1 411.409 4.097 20 5 HIBDMO COc1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491207772 904482152 /nfs/dbraw/zinc/48/21/52/904482152.db2.gz ZFTWDNBSMLZOAT-UHFFFAOYSA-N 1 1 420.412 4.242 20 5 HIBDMO COc1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491207772 904482163 /nfs/dbraw/zinc/48/21/63/904482163.db2.gz ZFTWDNBSMLZOAT-UHFFFAOYSA-N 1 1 420.412 4.242 20 5 HIBDMO COc1cc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000491297333 904524049 /nfs/dbraw/zinc/52/40/49/904524049.db2.gz UKSJOGJMRUMGLV-QFIPXVFZSA-N 1 1 408.454 4.500 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000491377185 904566863 /nfs/dbraw/zinc/56/68/63/904566863.db2.gz VIBINUKVVROLKX-SFHVURJKSA-N 1 1 411.502 4.168 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc5ccccn54)C3)o2)c1 ZINC000506152338 914826240 /nfs/dbraw/zinc/82/62/40/914826240.db2.gz DNFQBCYBFYCSOW-QGZVFWFLSA-N 1 1 403.442 4.277 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960275 904966322 /nfs/dbraw/zinc/96/63/22/904966322.db2.gz LUYQVWKJJAEBDR-RTBURBONSA-N 1 1 410.518 4.270 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000493081553 905014486 /nfs/dbraw/zinc/01/44/86/905014486.db2.gz RHERSMYTDLGHNK-GBESFXJTSA-N 1 1 402.539 4.260 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345120 905092286 /nfs/dbraw/zinc/09/22/86/905092286.db2.gz VVWXZARUMMHFDQ-UZLBHIALSA-N 1 1 411.527 4.221 20 5 HIBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000493875564 905237777 /nfs/dbraw/zinc/23/77/77/905237777.db2.gz QOTKPIRGWDEEFO-OAHLLOKOSA-N 1 1 419.407 4.078 20 5 HIBDMO COc1cc(C[N@H+](C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000494061306 905398749 /nfs/dbraw/zinc/39/87/49/905398749.db2.gz VSIFROJOKBCQKE-UHFFFAOYSA-N 1 1 405.401 4.361 20 5 HIBDMO COc1cc(C[N@@H+](C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000494061306 905398763 /nfs/dbraw/zinc/39/87/63/905398763.db2.gz VSIFROJOKBCQKE-UHFFFAOYSA-N 1 1 405.401 4.361 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000494413527 905701126 /nfs/dbraw/zinc/70/11/26/905701126.db2.gz TUWIYDLGZNVKSJ-VHSXEESVSA-N 1 1 402.398 4.138 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)c2C1 ZINC000494492808 905779217 /nfs/dbraw/zinc/77/92/17/905779217.db2.gz DZAAPSSAIYDACL-UHFFFAOYSA-N 1 1 420.469 4.132 20 5 HIBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000495145048 906270454 /nfs/dbraw/zinc/27/04/54/906270454.db2.gz NTIWMNYWMQVMLE-UHFFFAOYSA-N 1 1 416.909 4.028 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)CSc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000512570923 921243282 /nfs/dbraw/zinc/24/32/82/921243282.db2.gz XDORDNOUNANDOU-PKOBYXMFSA-N 1 1 413.543 4.104 20 5 HIBDMO CC(C)(C)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000496341832 906662917 /nfs/dbraw/zinc/66/29/17/906662917.db2.gz NYJYZGHMINDQMD-UHFFFAOYSA-N 1 1 413.493 4.380 20 5 HIBDMO CC(C)(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000496341832 906662924 /nfs/dbraw/zinc/66/29/24/906662924.db2.gz NYJYZGHMINDQMD-UHFFFAOYSA-N 1 1 413.493 4.380 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512800653 921314054 /nfs/dbraw/zinc/31/40/54/921314054.db2.gz FVTJMOAWRPXHCS-BEFAXECRSA-N 1 1 419.428 4.144 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512800653 921314056 /nfs/dbraw/zinc/31/40/56/921314056.db2.gz FVTJMOAWRPXHCS-BEFAXECRSA-N 1 1 419.428 4.144 20 5 HIBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498140332 907660826 /nfs/dbraw/zinc/66/08/26/907660826.db2.gz MSSZTGOIZACTIX-SFHVURJKSA-N 1 1 422.510 4.113 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1Cc1ccccc1 ZINC000498416580 907891624 /nfs/dbraw/zinc/89/16/24/907891624.db2.gz CMNCXDFGCUHLPN-IEBWSBKVSA-N 1 1 418.497 4.174 20 5 HIBDMO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498718731 908143653 /nfs/dbraw/zinc/14/36/53/908143653.db2.gz TXMAFJRBSJGGKI-AZUAARDMSA-N 1 1 422.529 4.179 20 5 HIBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)cc1 ZINC000499069441 908434618 /nfs/dbraw/zinc/43/46/18/908434618.db2.gz NEIPXKQUVUYIFT-UHFFFAOYSA-N 1 1 406.442 4.221 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000499301235 908671324 /nfs/dbraw/zinc/67/13/24/908671324.db2.gz QOQSTFPHQPTBTM-INIZCTEOSA-N 1 1 407.474 4.034 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000513145453 921583124 /nfs/dbraw/zinc/58/31/24/921583124.db2.gz UCMTVZZZUQUEFT-UBLGTCEWSA-N 1 1 405.539 4.085 20 5 HIBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329056 911307467 /nfs/dbraw/zinc/30/74/67/911307467.db2.gz DBFGPZHRAHTOBE-YJBOKZPZSA-N 1 1 411.506 4.387 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1 ZINC000503076724 912049344 /nfs/dbraw/zinc/04/93/44/912049344.db2.gz UFGCGDKTMBUEST-OAQYLSRUSA-N 1 1 407.449 4.261 20 5 HIBDMO CCN1CCC([N@H+](C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000506688517 915366831 /nfs/dbraw/zinc/36/68/31/915366831.db2.gz HKHVGWUPGOINHJ-UHFFFAOYSA-N 1 1 413.518 4.099 20 5 HIBDMO CCN1CCC([N@@H+](C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000506688517 915366854 /nfs/dbraw/zinc/36/68/54/915366854.db2.gz HKHVGWUPGOINHJ-UHFFFAOYSA-N 1 1 413.518 4.099 20 5 HIBDMO CC(C)C(=O)NC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000507186173 915934287 /nfs/dbraw/zinc/93/42/87/915934287.db2.gz BUUQNUJOOXHLEB-UHFFFAOYSA-N 1 1 415.465 4.263 20 5 HIBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507650713 916410686 /nfs/dbraw/zinc/41/06/86/916410686.db2.gz MVTGRVUZLKFGNN-UHFFFAOYSA-N 1 1 411.502 4.120 20 5 HIBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000507920604 916800422 /nfs/dbraw/zinc/80/04/22/916800422.db2.gz NSHKXGHWNLMBKE-AWEZNQCLSA-N 1 1 400.385 4.303 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509454846 918107370 /nfs/dbraw/zinc/10/73/70/918107370.db2.gz RWEBITMGCIWRQW-UHFFFAOYSA-N 1 1 415.877 4.375 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000509486147 918131578 /nfs/dbraw/zinc/13/15/78/918131578.db2.gz WODPWBNYNRWXST-INIZCTEOSA-N 1 1 416.547 4.023 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000509486147 918131593 /nfs/dbraw/zinc/13/15/93/918131593.db2.gz WODPWBNYNRWXST-INIZCTEOSA-N 1 1 416.547 4.023 20 5 HIBDMO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000509560456 918210826 /nfs/dbraw/zinc/21/08/26/918210826.db2.gz USHZUEVDOOMCOI-HSZRJFAPSA-N 1 1 419.529 4.092 20 5 HIBDMO Cn1cc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509560456 918210837 /nfs/dbraw/zinc/21/08/37/918210837.db2.gz USHZUEVDOOMCOI-HSZRJFAPSA-N 1 1 419.529 4.092 20 5 HIBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509560456 918210849 /nfs/dbraw/zinc/21/08/49/918210849.db2.gz USHZUEVDOOMCOI-HSZRJFAPSA-N 1 1 419.529 4.092 20 5 HIBDMO CCCOc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000509584492 918233058 /nfs/dbraw/zinc/23/30/58/918233058.db2.gz GPFQMKSYNUIKIT-AWEZNQCLSA-N 1 1 402.447 4.110 20 5 HIBDMO COc1cc(C[NH2+]CCN2CCC(C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509609333 918257450 /nfs/dbraw/zinc/25/74/50/918257450.db2.gz PKYHXNWOBGQTNK-UHFFFAOYSA-N 1 1 413.518 4.004 20 5 HIBDMO C[C@H](NC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000509760715 918375969 /nfs/dbraw/zinc/37/59/69/918375969.db2.gz HGEQYOULUCZPEA-HBFSDRIKSA-N 1 1 410.518 4.256 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000510099613 918663139 /nfs/dbraw/zinc/66/31/39/918663139.db2.gz PFADXKOOIOZQLZ-SJLPKXTDSA-N 1 1 413.543 4.347 20 5 HIBDMO Cc1cc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nc(C)n1 ZINC000510123686 918682376 /nfs/dbraw/zinc/68/23/76/918682376.db2.gz FNPCSFIRPZFJBE-UHFFFAOYSA-N 1 1 409.515 4.052 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510149660 918705411 /nfs/dbraw/zinc/70/54/11/918705411.db2.gz SSXFOEZEZYHDEK-WBVHZDCISA-N 1 1 401.894 4.279 20 5 HIBDMO O=C(C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000511082036 919684254 /nfs/dbraw/zinc/68/42/54/919684254.db2.gz QJMGWYQVKJBMIS-QFIPXVFZSA-N 1 1 415.440 4.046 20 5 HIBDMO NC(=O)c1ccc(C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000511217091 919827065 /nfs/dbraw/zinc/82/70/65/919827065.db2.gz OAKRAUZMDWOEDD-UHFFFAOYSA-N 1 1 406.269 4.290 20 5 HIBDMO NC(=O)c1ccc(C[N@@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000511217091 919827069 /nfs/dbraw/zinc/82/70/69/919827069.db2.gz OAKRAUZMDWOEDD-UHFFFAOYSA-N 1 1 406.269 4.290 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000511343010 919933963 /nfs/dbraw/zinc/93/39/63/919933963.db2.gz IYUPDADHWISYNP-MRXNPFEDSA-N 1 1 411.527 4.435 20 5 HIBDMO C[C@H]1C[C@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@H+]1Cc1ccccc1 ZINC000511642886 920306524 /nfs/dbraw/zinc/30/65/24/920306524.db2.gz KNESGAHHTBJAHX-WMZOPIPTSA-N 1 1 408.502 4.192 20 5 HIBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000511727221 920393725 /nfs/dbraw/zinc/39/37/25/920393725.db2.gz MJLGACDQYOFVKJ-KKSFZXQISA-N 1 1 413.493 4.254 20 5 HIBDMO CC(=O)N(C)C1CC[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000512292005 921046615 /nfs/dbraw/zinc/04/66/15/921046615.db2.gz NLOGWNJOWHVEOJ-UHFFFAOYSA-N 1 1 417.893 4.483 20 5 HIBDMO COc1cc(C[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000512369735 921109875 /nfs/dbraw/zinc/10/98/75/921109875.db2.gz FFHDZTMKLMJPCB-UHFFFAOYSA-N 1 1 422.485 4.216 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H]1CCCOC1 ZINC000513457430 921821851 /nfs/dbraw/zinc/82/18/51/921821851.db2.gz XEAKZMKPUYSRGI-CYBMUJFWSA-N 1 1 409.280 4.476 20 5 HIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000513497402 921846581 /nfs/dbraw/zinc/84/65/81/921846581.db2.gz WLZOOCQNWCNLFX-GOSISDBHSA-N 1 1 406.486 4.306 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)s1 ZINC000513644168 921968069 /nfs/dbraw/zinc/96/80/69/921968069.db2.gz ZXOZABHRXUYJOD-HNNXBMFYSA-N 1 1 409.515 4.241 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)s1 ZINC000513644169 921968275 /nfs/dbraw/zinc/96/82/75/921968275.db2.gz ZXOZABHRXUYJOD-OAHLLOKOSA-N 1 1 409.515 4.241 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCSCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000513661955 921984918 /nfs/dbraw/zinc/98/49/18/921984918.db2.gz RNXBFHOZHFBFNY-IBGZPJMESA-N 1 1 400.479 4.080 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCOc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000513712893 922032168 /nfs/dbraw/zinc/03/21/68/922032168.db2.gz HBUVAAYECXABKK-JOCHJYFZSA-N 1 1 417.469 4.025 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000513909696 922232597 /nfs/dbraw/zinc/23/25/97/922232597.db2.gz QTPSSFAKVQXLIE-FQEVSTJZSA-N 1 1 406.486 4.107 20 5 HIBDMO CC(C)(C)OC1CC([NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000514884138 922831477 /nfs/dbraw/zinc/83/14/77/922831477.db2.gz GWXWQKQKNLHQHS-UHFFFAOYSA-N 1 1 401.429 4.082 20 5 HIBDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000515502546 923136838 /nfs/dbraw/zinc/13/68/38/923136838.db2.gz AGAAQRQMTFZFJL-INIZCTEOSA-N 1 1 422.428 4.421 20 5 HIBDMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000515509247 923143732 /nfs/dbraw/zinc/14/37/32/923143732.db2.gz STCFSQWXSVEPMV-QZTJIDSGSA-N 1 1 410.518 4.387 20 5 HIBDMO COc1ccc(C[NH+]2CC3(CCC3(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000516518736 923775269 /nfs/dbraw/zinc/77/52/69/923775269.db2.gz CMHSQCWKMOKQHJ-UHFFFAOYSA-N 1 1 404.413 4.414 20 5 HIBDMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000517541991 924254701 /nfs/dbraw/zinc/25/47/01/924254701.db2.gz CGEGPVSBZZQPIU-CQSZACIVSA-N 1 1 408.296 4.191 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000517541991 924254711 /nfs/dbraw/zinc/25/47/11/924254711.db2.gz CGEGPVSBZZQPIU-CQSZACIVSA-N 1 1 408.296 4.191 20 5 HIBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000517674923 926780669 /nfs/dbraw/zinc/78/06/69/926780669.db2.gz DQJAJGKJJHYECQ-AYHJJNSGSA-N 1 1 404.470 4.002 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000517875313 926871440 /nfs/dbraw/zinc/87/14/40/926871440.db2.gz ARVJVJZTQVZZCV-SFHVURJKSA-N 1 1 411.502 4.055 20 5 HIBDMO COc1ccc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000518454045 927285224 /nfs/dbraw/zinc/28/52/24/927285224.db2.gz WVHUYLPQJNCANQ-IBGZPJMESA-N 1 1 411.502 4.195 20 5 HIBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000521323422 929136692 /nfs/dbraw/zinc/13/66/92/929136692.db2.gz QXVFSAFPBIETBH-HXUWFJFHSA-N 1 1 410.518 4.039 20 5 HIBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000524654706 929767399 /nfs/dbraw/zinc/76/73/99/929767399.db2.gz DTALSPVBKBOSCM-UHFFFAOYSA-N 1 1 413.861 4.403 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000524654706 929767411 /nfs/dbraw/zinc/76/74/11/929767411.db2.gz DTALSPVBKBOSCM-UHFFFAOYSA-N 1 1 413.861 4.403 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000525137326 930057163 /nfs/dbraw/zinc/05/71/63/930057163.db2.gz UQEGISWAJKXLDQ-GOSISDBHSA-N 1 1 401.894 4.341 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000525137326 930057171 /nfs/dbraw/zinc/05/71/71/930057171.db2.gz UQEGISWAJKXLDQ-GOSISDBHSA-N 1 1 401.894 4.341 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355022 930192814 /nfs/dbraw/zinc/19/28/14/930192814.db2.gz QVEMNGDTSCAZKF-PZJWPPBQSA-N 1 1 416.566 4.214 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354441 930192994 /nfs/dbraw/zinc/19/29/94/930192994.db2.gz JJUQNHCPMRFSNI-NQIIRXRSSA-N 1 1 410.518 4.052 20 5 HIBDMO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000532215071 931356054 /nfs/dbraw/zinc/35/60/54/931356054.db2.gz KLHOSWSQMOIRMJ-ROUUACIJSA-N 1 1 416.591 4.248 20 5 HIBDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000532902234 931685378 /nfs/dbraw/zinc/68/53/78/931685378.db2.gz WGGQFKAQGRNHPY-IBGZPJMESA-N 1 1 411.458 4.129 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)c1 ZINC000533230532 931814937 /nfs/dbraw/zinc/81/49/37/931814937.db2.gz IMHRANJPHSTARD-LJQANCHMSA-N 1 1 421.453 4.401 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533291794 931830163 /nfs/dbraw/zinc/83/01/63/931830163.db2.gz GCQIUMQBFRKLHC-LJQANCHMSA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533291794 931830164 /nfs/dbraw/zinc/83/01/64/931830164.db2.gz GCQIUMQBFRKLHC-LJQANCHMSA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533291794 931830169 /nfs/dbraw/zinc/83/01/69/931830169.db2.gz GCQIUMQBFRKLHC-LJQANCHMSA-N 1 1 420.513 4.389 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000533394793 931856850 /nfs/dbraw/zinc/85/68/50/931856850.db2.gz CDQFTOMZWNUFJZ-UHFFFAOYSA-N 1 1 423.513 4.007 20 5 HIBDMO CC(C)c1nc([C@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)no1 ZINC000533404702 931859586 /nfs/dbraw/zinc/85/95/86/931859586.db2.gz RFGXVBFLBQAYOT-INIZCTEOSA-N 1 1 411.462 4.178 20 5 HIBDMO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000533407157 931860494 /nfs/dbraw/zinc/86/04/94/931860494.db2.gz MNVVJZITEABFPZ-DYESRHJHSA-N 1 1 421.501 4.302 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000533441001 931869990 /nfs/dbraw/zinc/86/99/90/931869990.db2.gz QSTRQOPJWCNYJN-OAHLLOKOSA-N 1 1 401.850 4.036 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534228265 932347373 /nfs/dbraw/zinc/34/73/73/932347373.db2.gz HMHKBGXPMWOZGO-AUUYWEPGSA-N 1 1 405.857 4.119 20 5 HIBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000534870977 932816303 /nfs/dbraw/zinc/81/63/03/932816303.db2.gz SKQXMRYJSXUUON-OAQYLSRUSA-N 1 1 415.852 4.270 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000535115195 932932792 /nfs/dbraw/zinc/93/27/92/932932792.db2.gz DLRLIBPPFGGOLF-NZQKXSOJSA-N 1 1 423.513 4.332 20 5 HIBDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000535209494 933015963 /nfs/dbraw/zinc/01/59/63/933015963.db2.gz BIIIJZUGOUHNNH-AWEZNQCLSA-N 1 1 418.519 4.474 20 5 HIBDMO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000535503125 933191421 /nfs/dbraw/zinc/19/14/21/933191421.db2.gz COMUPMKDELRYOM-AGRHKRQWSA-N 1 1 402.882 4.054 20 5 HIBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000535503125 933191446 /nfs/dbraw/zinc/19/14/46/933191446.db2.gz COMUPMKDELRYOM-AGRHKRQWSA-N 1 1 402.882 4.054 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000535810305 933405884 /nfs/dbraw/zinc/40/58/84/933405884.db2.gz CBUYCLLPGYBHQZ-KRWDZBQOSA-N 1 1 411.437 4.030 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)ccc1Oc1ccc(F)cc1 ZINC000535822654 933416245 /nfs/dbraw/zinc/41/62/45/933416245.db2.gz NUWOIHUBENODSW-YLJYHZDGSA-N 1 1 404.463 4.233 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)ccc1Oc1ccc(F)cc1 ZINC000535822654 933416256 /nfs/dbraw/zinc/41/62/56/933416256.db2.gz NUWOIHUBENODSW-YLJYHZDGSA-N 1 1 404.463 4.233 20 5 HIBDMO CC(C)Oc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000535971091 933533589 /nfs/dbraw/zinc/53/35/89/933533589.db2.gz ZXLKGPVODIERAH-CQSZACIVSA-N 1 1 405.882 4.494 20 5 HIBDMO CC(C)Oc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000535971091 933533596 /nfs/dbraw/zinc/53/35/96/933533596.db2.gz ZXLKGPVODIERAH-CQSZACIVSA-N 1 1 405.882 4.494 20 5 HIBDMO CCOc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537620722 938336000 /nfs/dbraw/zinc/33/60/00/938336000.db2.gz WTSSMAFRZJUNSS-IAGOWNOFSA-N 1 1 416.522 4.198 20 5 HIBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000537631461 938341353 /nfs/dbraw/zinc/34/13/53/938341353.db2.gz MXCALUMZEUDQHW-FXAWDEMLSA-N 1 1 413.518 4.097 20 5 HIBDMO C[C@@H](c1cccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000537715635 938362272 /nfs/dbraw/zinc/36/22/72/938362272.db2.gz LJHLIRYUTVDZBZ-KRWDZBQOSA-N 1 1 421.501 4.001 20 5 HIBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537732050 938365470 /nfs/dbraw/zinc/36/54/70/938365470.db2.gz IIIQXSHDFBYWTP-LJQANCHMSA-N 1 1 420.469 4.207 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000538241881 938571405 /nfs/dbraw/zinc/57/14/05/938571405.db2.gz CHCGSJCKZHJKTQ-HSZRJFAPSA-N 1 1 419.481 4.389 20 5 HIBDMO COc1cc(C[N@H+](C)CCc2nccs2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538724361 938692088 /nfs/dbraw/zinc/69/20/88/938692088.db2.gz GLGPBQBZDNITBO-UHFFFAOYSA-N 1 1 413.499 4.313 20 5 HIBDMO COc1cc(C[N@@H+](C)CCc2nccs2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538724361 938692093 /nfs/dbraw/zinc/69/20/93/938692093.db2.gz GLGPBQBZDNITBO-UHFFFAOYSA-N 1 1 413.499 4.313 20 5 HIBDMO COC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538731128 938695334 /nfs/dbraw/zinc/69/53/34/938695334.db2.gz CTALIXAGLJQMMU-SFHVURJKSA-N 1 1 400.475 4.041 20 5 HIBDMO COc1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1OC(F)F ZINC000538734535 938696573 /nfs/dbraw/zinc/69/65/73/938696573.db2.gz IPFBUGWAFKWGFO-UHFFFAOYSA-N 1 1 408.401 4.248 20 5 HIBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000539120438 938805823 /nfs/dbraw/zinc/80/58/23/938805823.db2.gz MQCRPFQTGPPYGK-HNNXBMFYSA-N 1 1 401.467 4.180 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000539326507 938841884 /nfs/dbraw/zinc/84/18/84/938841884.db2.gz OJYMAVZLESGYHR-HXUWFJFHSA-N 1 1 407.417 4.197 20 5 HIBDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O ZINC000539360016 938848082 /nfs/dbraw/zinc/84/80/82/938848082.db2.gz MVPWBUKQZMCNHX-BFUOFWGJSA-N 1 1 422.441 4.210 20 5 HIBDMO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000539766586 938930938 /nfs/dbraw/zinc/93/09/38/938930938.db2.gz RHQROKJCKKMHMH-FQEVSTJZSA-N 1 1 411.502 4.042 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000539816793 938940995 /nfs/dbraw/zinc/94/09/95/938940995.db2.gz CDAGGSXLFVQOFT-VFNWGFHPSA-N 1 1 410.449 4.096 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000539816793 938940996 /nfs/dbraw/zinc/94/09/96/938940996.db2.gz CDAGGSXLFVQOFT-VFNWGFHPSA-N 1 1 410.449 4.096 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000539831330 938950584 /nfs/dbraw/zinc/95/05/84/938950584.db2.gz KNJJIXMECDLFTK-GDBMZVCRSA-N 1 1 404.772 4.396 20 5 HIBDMO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539832519 938952023 /nfs/dbraw/zinc/95/20/23/938952023.db2.gz YOCYKZCKKGSRJZ-UHFFFAOYSA-N 1 1 401.513 4.133 20 5 HIBDMO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539832519 938952029 /nfs/dbraw/zinc/95/20/29/938952029.db2.gz YOCYKZCKKGSRJZ-UHFFFAOYSA-N 1 1 401.513 4.133 20 5 HIBDMO C[N@H+](CCN1CCCC1=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000539833498 938952721 /nfs/dbraw/zinc/95/27/21/938952721.db2.gz AVJCJKRLUQJNEA-UHFFFAOYSA-N 1 1 403.866 4.095 20 5 HIBDMO C[N@@H+](CCN1CCCC1=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000539833498 938952722 /nfs/dbraw/zinc/95/27/22/938952722.db2.gz AVJCJKRLUQJNEA-UHFFFAOYSA-N 1 1 403.866 4.095 20 5 HIBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924220 938978231 /nfs/dbraw/zinc/97/82/31/938978231.db2.gz WLPGDNZDVYYHLT-LPHOPBHVSA-N 1 1 413.449 4.017 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(F)c1F ZINC000540430949 939245964 /nfs/dbraw/zinc/24/59/64/939245964.db2.gz VUZWTVHOFRDEDF-LLVKDONJSA-N 1 1 418.425 4.286 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)co2)cc1 ZINC000540592235 939313611 /nfs/dbraw/zinc/31/36/11/939313611.db2.gz JBTZRWLSBZVISY-OAQYLSRUSA-N 1 1 407.426 4.262 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000540628340 939323316 /nfs/dbraw/zinc/32/33/16/939323316.db2.gz YUPVTPVUZBAWTD-MRXNPFEDSA-N 1 1 408.458 4.044 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3cc(C)[nH]n3)CC2)cc1OC ZINC000541122861 939468953 /nfs/dbraw/zinc/46/89/53/939468953.db2.gz SDJFXLCOILMAOH-OAHLLOKOSA-N 1 1 416.522 4.439 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)cc1OC ZINC000541122861 939468959 /nfs/dbraw/zinc/46/89/59/939468959.db2.gz SDJFXLCOILMAOH-OAHLLOKOSA-N 1 1 416.522 4.439 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129658 939471807 /nfs/dbraw/zinc/47/18/07/939471807.db2.gz OPUANUSQNBSVAB-MRXNPFEDSA-N 1 1 412.412 4.434 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129658 939471810 /nfs/dbraw/zinc/47/18/10/939471810.db2.gz OPUANUSQNBSVAB-MRXNPFEDSA-N 1 1 412.412 4.434 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000541568108 939557057 /nfs/dbraw/zinc/55/70/57/939557057.db2.gz CNRLIQZZGPKYIJ-HNNXBMFYSA-N 1 1 418.515 4.171 20 5 HIBDMO C[N@H+]1CC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541576024 939559153 /nfs/dbraw/zinc/55/91/53/939559153.db2.gz QPFZJMPHAFNFPL-BFUOFWGJSA-N 1 1 415.856 4.435 20 5 HIBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000541749330 939620144 /nfs/dbraw/zinc/62/01/44/939620144.db2.gz MQMUGRVEJGSVOV-OAHLLOKOSA-N 1 1 403.548 4.257 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000541786336 939629975 /nfs/dbraw/zinc/62/99/75/939629975.db2.gz LWCSOPCJPHHUGO-NVXWUHKLSA-N 1 1 400.454 4.251 20 5 HIBDMO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000542590708 939846881 /nfs/dbraw/zinc/84/68/81/939846881.db2.gz SRMRWVYPHWSJMW-RDTXWAMCSA-N 1 1 408.483 4.174 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000543139189 939966332 /nfs/dbraw/zinc/96/63/32/939966332.db2.gz BIFHPNBXWLKMCG-INIZCTEOSA-N 1 1 410.392 4.018 20 5 HIBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543558712 940108271 /nfs/dbraw/zinc/10/82/71/940108271.db2.gz HWZFCOLGJFNNAD-OALUTQOASA-N 1 1 412.421 4.136 20 5 HIBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580784 940117952 /nfs/dbraw/zinc/11/79/52/940117952.db2.gz FJNWHOUTFLGMEK-AUUYWEPGSA-N 1 1 403.548 4.090 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000544069247 940316592 /nfs/dbraw/zinc/31/65/92/940316592.db2.gz LSEVLBQIHYUAET-QGZVFWFLSA-N 1 1 410.392 4.018 20 5 HIBDMO CC[N@@H+](Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1)C1CC1 ZINC000545776005 940584998 /nfs/dbraw/zinc/58/49/98/940584998.db2.gz CRVLGMBJNZIULB-UHFFFAOYSA-N 1 1 408.458 4.229 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000545876206 940648049 /nfs/dbraw/zinc/64/80/49/940648049.db2.gz YNQMVCHVZHPQSI-GOSISDBHSA-N 1 1 407.873 4.084 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547245186 941042281 /nfs/dbraw/zinc/04/22/81/941042281.db2.gz GTYGYDDCYQMRPB-IIBYNOLFSA-N 1 1 413.493 4.038 20 5 HIBDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000548418293 941101911 /nfs/dbraw/zinc/10/19/11/941101911.db2.gz BNASTCSKFNLEBZ-UHFFFAOYSA-N 1 1 403.482 4.199 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000549544364 941198882 /nfs/dbraw/zinc/19/88/82/941198882.db2.gz MGJSQZXPQXEOQY-HNNXBMFYSA-N 1 1 408.298 4.456 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000549582226 941200310 /nfs/dbraw/zinc/20/03/10/941200310.db2.gz GEXHYSPNFOERSZ-OAHLLOKOSA-N 1 1 412.421 4.172 20 5 HIBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549694564 941204853 /nfs/dbraw/zinc/20/48/53/941204853.db2.gz UMZCNOAGISKCAJ-LBPRGKRZSA-N 1 1 416.421 4.258 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882160 941378495 /nfs/dbraw/zinc/37/84/95/941378495.db2.gz IZVULVANSXMVAC-IRLDBZIGSA-N 1 1 423.557 4.483 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882160 941378497 /nfs/dbraw/zinc/37/84/97/941378497.db2.gz IZVULVANSXMVAC-IRLDBZIGSA-N 1 1 423.557 4.483 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000552045021 941573303 /nfs/dbraw/zinc/57/33/03/941573303.db2.gz WEFWEBCRNHLGOX-SFHVURJKSA-N 1 1 415.291 4.013 20 5 HIBDMO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552244154 941612985 /nfs/dbraw/zinc/61/29/85/941612985.db2.gz WEHVKCLPGLETHC-SIKLNZKXSA-N 1 1 423.492 4.124 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCCc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552282766 941622097 /nfs/dbraw/zinc/62/20/97/941622097.db2.gz NAFUUIXPYGQCTH-FQEVSTJZSA-N 1 1 400.429 4.308 20 5 HIBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000552790356 941763805 /nfs/dbraw/zinc/76/38/05/941763805.db2.gz IQKJVRWVUZAMQP-UHFFFAOYSA-N 1 1 408.483 4.209 20 5 HIBDMO O=C(C[NH2+][C@H](COCc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000553329270 941868573 /nfs/dbraw/zinc/86/85/73/941868573.db2.gz AFOKTYZKGDHEIQ-OAQYLSRUSA-N 1 1 405.454 4.081 20 5 HIBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000553528015 941902964 /nfs/dbraw/zinc/90/29/64/941902964.db2.gz HTMODPZRIKQOBO-SFHVURJKSA-N 1 1 422.529 4.153 20 5 HIBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000554070264 942029126 /nfs/dbraw/zinc/02/91/26/942029126.db2.gz ODPVXLNLUJEVFO-MSOLQXFVSA-N 1 1 409.408 4.043 20 5 HIBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000555404150 942518378 /nfs/dbraw/zinc/51/83/78/942518378.db2.gz BKRYYLKPUDOZNI-AWEZNQCLSA-N 1 1 422.407 4.168 20 5 HIBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000555404150 942518380 /nfs/dbraw/zinc/51/83/80/942518380.db2.gz BKRYYLKPUDOZNI-AWEZNQCLSA-N 1 1 422.407 4.168 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000555598219 942662551 /nfs/dbraw/zinc/66/25/51/942662551.db2.gz UTTJKHROLIZLSW-VWNXMTODSA-N 1 1 422.529 4.001 20 5 HIBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000555817481 942743681 /nfs/dbraw/zinc/74/36/81/942743681.db2.gz KWIRSZOGAYBTRU-ZDUSSCGKSA-N 1 1 412.328 4.050 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000556127563 942808234 /nfs/dbraw/zinc/80/82/34/942808234.db2.gz JYDWFASRKIIDIJ-UHFFFAOYSA-N 1 1 401.429 4.198 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000556493694 942884241 /nfs/dbraw/zinc/88/42/41/942884241.db2.gz HEJSNUQHEHSXEO-UHFFFAOYSA-N 1 1 402.520 4.196 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412429 943552963 /nfs/dbraw/zinc/55/29/63/943552963.db2.gz ZHPKAAXOPXTYJI-WMZOPIPTSA-N 1 1 423.435 4.355 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412429 943552966 /nfs/dbraw/zinc/55/29/66/943552966.db2.gz ZHPKAAXOPXTYJI-WMZOPIPTSA-N 1 1 423.435 4.355 20 5 HIBDMO C[C@@H](CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000558419630 943554638 /nfs/dbraw/zinc/55/46/38/943554638.db2.gz DIIJKNQJMHNQEY-AWEZNQCLSA-N 1 1 409.408 4.254 20 5 HIBDMO CCOc1cc(C[N@H+]2[C@@H](C)CC[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000558423704 943556078 /nfs/dbraw/zinc/55/60/78/943556078.db2.gz OKQPFRVXZFODIZ-LPHOPBHVSA-N 1 1 416.522 4.340 20 5 HIBDMO COc1cc(Br)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000558739918 943636614 /nfs/dbraw/zinc/63/66/14/943636614.db2.gz RBZNQQPATYYFJG-UHFFFAOYSA-N 1 1 409.280 4.049 20 5 HIBDMO COc1cc(Br)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000558739918 943636618 /nfs/dbraw/zinc/63/66/18/943636618.db2.gz RBZNQQPATYYFJG-UHFFFAOYSA-N 1 1 409.280 4.049 20 5 HIBDMO CCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000560553887 944252404 /nfs/dbraw/zinc/25/24/04/944252404.db2.gz NQBLRODCKCWFTN-VHSSKADRSA-N 1 1 414.449 4.230 20 5 HIBDMO C[N@@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561282845 944539279 /nfs/dbraw/zinc/53/92/79/944539279.db2.gz JYGTUUYHWLSQHJ-ZFWWWQNUSA-N 1 1 407.858 4.249 20 5 HIBDMO C[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561282845 944539284 /nfs/dbraw/zinc/53/92/84/944539284.db2.gz JYGTUUYHWLSQHJ-ZFWWWQNUSA-N 1 1 407.858 4.249 20 5 HIBDMO CCc1cccc2c(CC[NH2+][C@@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000566001248 945968907 /nfs/dbraw/zinc/96/89/07/945968907.db2.gz OUGSIBACWSOGAV-JOCHJYFZSA-N 1 1 403.486 4.294 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCO[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000566753693 946087594 /nfs/dbraw/zinc/08/75/94/946087594.db2.gz XEIUYOHUPZNINV-DHIUTWEWSA-N 1 1 420.513 4.492 20 5 HIBDMO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328278 946510101 /nfs/dbraw/zinc/51/01/01/946510101.db2.gz OALMDMDULZAEER-FDDCHVKYSA-N 1 1 419.529 4.220 20 5 HIBDMO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328278 946510107 /nfs/dbraw/zinc/51/01/07/946510107.db2.gz OALMDMDULZAEER-FDDCHVKYSA-N 1 1 419.529 4.220 20 5 HIBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328278 946510121 /nfs/dbraw/zinc/51/01/21/946510121.db2.gz OALMDMDULZAEER-FDDCHVKYSA-N 1 1 419.529 4.220 20 5 HIBDMO C[C@H]1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1Cc1ccccc1 ZINC000568912231 946747910 /nfs/dbraw/zinc/74/79/10/946747910.db2.gz VULRSSFNSKYELC-KKSFZXQISA-N 1 1 408.527 4.471 20 5 HIBDMO C[C@H]1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 ZINC000568912231 946747926 /nfs/dbraw/zinc/74/79/26/946747926.db2.gz VULRSSFNSKYELC-KKSFZXQISA-N 1 1 408.527 4.471 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)o2)c([N+](=O)[O-])c1 ZINC000570129211 947108081 /nfs/dbraw/zinc/10/80/81/947108081.db2.gz YCNXBZAOZQXCGT-SFHVURJKSA-N 1 1 414.380 4.143 20 5 HIBDMO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000570894268 947387760 /nfs/dbraw/zinc/38/77/60/947387760.db2.gz IVAKJJINYFEFNH-FQEVSTJZSA-N 1 1 409.530 4.291 20 5 HIBDMO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000573886523 948321584 /nfs/dbraw/zinc/32/15/84/948321584.db2.gz RUXQOEXKWMPDAF-SFHVURJKSA-N 1 1 412.490 4.027 20 5 HIBDMO CC[C@](C)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1nccs1 ZINC000574083835 948361636 /nfs/dbraw/zinc/36/16/36/948361636.db2.gz JGSBXVAMINXXOJ-AWEZNQCLSA-N 1 1 417.272 4.071 20 5 HIBDMO O=[N+]([O-])c1cccc2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc21 ZINC001164694858 719891501 /nfs/dbraw/zinc/89/15/01/719891501.db2.gz FOCUFCPSZJTAMV-UHFFFAOYSA-N 1 1 424.526 4.076 20 5 HIBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)ccc21 ZINC001164722522 720399494 /nfs/dbraw/zinc/39/94/94/720399494.db2.gz DDIFCVWQTLNANX-OALUTQOASA-N 1 1 409.877 4.045 20 5 HIBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726937 720442436 /nfs/dbraw/zinc/44/24/36/720442436.db2.gz CGXQVXMDKRWWSJ-RBUKOAKNSA-N 1 1 409.877 4.045 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731093 720478605 /nfs/dbraw/zinc/47/86/05/720478605.db2.gz VPVAABMCAAKCTL-VQTJNVASSA-N 1 1 419.460 4.044 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165023981 721808147 /nfs/dbraw/zinc/80/81/47/721808147.db2.gz KOJWWZAXXIRCPL-RYQLBKOJSA-N 1 1 415.925 4.084 20 5 HIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165020542 721808424 /nfs/dbraw/zinc/80/84/24/721808424.db2.gz FYIRSWNVTBQURU-VDZJLULYSA-N 1 1 415.925 4.084 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001165030214 721830985 /nfs/dbraw/zinc/83/09/85/721830985.db2.gz YZQBACKQIMHRJJ-SXSPYAJSSA-N 1 1 417.513 4.275 20 5 HIBDMO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[NH+](CC2CCCCC2)CC1 ZINC000436307372 861611858 /nfs/dbraw/zinc/61/18/58/861611858.db2.gz MYXUYWWCZPYBIH-UHFFFAOYSA-N 1 1 421.516 4.159 20 5 HIBDMO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000436307011 861612268 /nfs/dbraw/zinc/61/22/68/861612268.db2.gz MCFCGIDKMLURTQ-NRFANRHFSA-N 1 1 403.482 4.087 20 5 HIBDMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000025536230 846994813 /nfs/dbraw/zinc/99/48/13/846994813.db2.gz LQJDPBUTABITOV-HXUWFJFHSA-N 1 1 401.894 4.061 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000026226367 847107397 /nfs/dbraw/zinc/10/73/97/847107397.db2.gz YZHVJOPXJARHBY-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000026257984 847115949 /nfs/dbraw/zinc/11/59/49/847115949.db2.gz ZUZXYEFBJWPXGY-UHFFFAOYSA-N 1 1 415.471 4.289 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000027110322 847248751 /nfs/dbraw/zinc/24/87/51/847248751.db2.gz CGIVMVRJFWIUQM-SFHVURJKSA-N 1 1 403.866 4.423 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)NCc2ccccc2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000029694518 847601200 /nfs/dbraw/zinc/60/12/00/847601200.db2.gz OXOOCELPNFMJAK-GOSISDBHSA-N 1 1 410.518 4.006 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000029829413 847628452 /nfs/dbraw/zinc/62/84/52/847628452.db2.gz OSXSQVIVLVVSQU-HZPDHXFCSA-N 1 1 408.458 4.251 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000029829413 847628455 /nfs/dbraw/zinc/62/84/55/847628455.db2.gz OSXSQVIVLVVSQU-HZPDHXFCSA-N 1 1 408.458 4.251 20 5 HIBDMO COc1ccc(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000059286743 850992650 /nfs/dbraw/zinc/99/26/50/850992650.db2.gz JCGCZKQASCZMEY-CALCHBBNSA-N 1 1 411.502 4.011 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(c4nc5ccccc5s4)CC3)n2)c1 ZINC000059578526 851007883 /nfs/dbraw/zinc/00/78/83/851007883.db2.gz RHSVGBWVXLKYGS-UHFFFAOYSA-N 1 1 420.498 4.300 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000060690655 851192329 /nfs/dbraw/zinc/19/23/29/851192329.db2.gz PXDQZKIROJEWMS-OAHLLOKOSA-N 1 1 401.894 4.410 20 5 HIBDMO Cc1cc(N2CCC[N@@H+](Cc3ccccc3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858992 851233624 /nfs/dbraw/zinc/23/36/24/851233624.db2.gz LVIPZAKQCSBCFI-UHFFFAOYSA-N 1 1 417.513 4.381 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cc(Br)ccc2F)cccc1[N+](=O)[O-] ZINC000063742413 851753093 /nfs/dbraw/zinc/75/30/93/851753093.db2.gz DDARYBNYCHWVIK-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350371 851877816 /nfs/dbraw/zinc/87/78/16/851877816.db2.gz HQBKKARWIWNRBT-UHFFFAOYSA-N 1 1 421.501 4.246 20 5 HIBDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350371 851877823 /nfs/dbraw/zinc/87/78/23/851877823.db2.gz HQBKKARWIWNRBT-UHFFFAOYSA-N 1 1 421.501 4.246 20 5 HIBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000072009961 852464538 /nfs/dbraw/zinc/46/45/38/852464538.db2.gz RQXSZNCQEDWBRU-LJQANCHMSA-N 1 1 416.566 4.216 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)C1 ZINC000107959628 852812572 /nfs/dbraw/zinc/81/25/72/852812572.db2.gz HBVYNTYHFVRLEY-KRWDZBQOSA-N 1 1 419.485 4.265 20 5 HIBDMO O=C(OCc1cccc([N+](=O)[O-])c1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000110102595 853059575 /nfs/dbraw/zinc/05/95/75/853059575.db2.gz LDPLCOGPYLEZOM-LJQANCHMSA-N 1 1 408.376 4.093 20 5 HIBDMO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1Br ZINC000216747917 853857583 /nfs/dbraw/zinc/85/75/83/853857583.db2.gz JCHRODTVIPNPFV-NSHDSACASA-N 1 1 423.263 4.083 20 5 HIBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 ZINC000217386596 853862419 /nfs/dbraw/zinc/86/24/19/853862419.db2.gz WBCFLGCOSCZCNU-UHFFFAOYSA-N 1 1 409.408 4.335 20 5 HIBDMO CC[N@@H+]1CCC[C@H](CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000236933177 853939173 /nfs/dbraw/zinc/93/91/73/853939173.db2.gz AMMXEFVFLPGMHJ-HXUWFJFHSA-N 1 1 413.518 4.004 20 5 HIBDMO CC[N@H+]1CCC[C@H](CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000236933177 853939178 /nfs/dbraw/zinc/93/91/78/853939178.db2.gz AMMXEFVFLPGMHJ-HXUWFJFHSA-N 1 1 413.518 4.004 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236968987 853944067 /nfs/dbraw/zinc/94/40/67/853944067.db2.gz QVWVTLUMAAFOGP-HSZRJFAPSA-N 1 1 424.522 4.440 20 5 HIBDMO COc1ccc(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237149415 853973646 /nfs/dbraw/zinc/97/36/46/853973646.db2.gz XKLOXFNILXXWTO-TZIWHRDSSA-N 1 1 413.518 4.145 20 5 HIBDMO C[NH+](C)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000237178258 853976132 /nfs/dbraw/zinc/97/61/32/853976132.db2.gz FOBQAIZASDLOJI-IBGZPJMESA-N 1 1 400.479 4.250 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccnc(N4CCCCC4)c3)cs2)c1 ZINC000238009331 854132987 /nfs/dbraw/zinc/13/29/87/854132987.db2.gz ZLWKIJSEOVMPJW-UHFFFAOYSA-N 1 1 409.515 4.393 20 5 HIBDMO O=C1CCCN1Cc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000238061925 854139847 /nfs/dbraw/zinc/13/98/47/854139847.db2.gz HXKNREQVKFGTPK-UHFFFAOYSA-N 1 1 422.510 4.131 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261421977 854256095 /nfs/dbraw/zinc/25/60/95/854256095.db2.gz HZWBXDMDQKMWMX-CXAGYDPISA-N 1 1 411.380 4.020 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301106944 854298693 /nfs/dbraw/zinc/29/86/93/854298693.db2.gz QAFUHXLDBSXMQJ-IYBDPMFKSA-N 1 1 421.501 4.334 20 5 HIBDMO Cc1ccc(N2CCC(Nc3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)[nH+]c1 ZINC000301409714 854385457 /nfs/dbraw/zinc/38/54/57/854385457.db2.gz XIAWAHZGDDVNAK-UHFFFAOYSA-N 1 1 404.474 4.145 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301567341 854421702 /nfs/dbraw/zinc/42/17/02/854421702.db2.gz JZTDVNDYESPUEF-YLJYHZDGSA-N 1 1 410.518 4.056 20 5 HIBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCOCC2)nc1-c1ccccc1 ZINC000301890220 854486607 /nfs/dbraw/zinc/48/66/07/854486607.db2.gz UAJJQEWKNGDUQH-UHFFFAOYSA-N 1 1 404.470 4.101 20 5 HIBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000303156778 854790811 /nfs/dbraw/zinc/79/08/11/854790811.db2.gz SLVIMKRQGLEDLF-MRXNPFEDSA-N 1 1 408.458 4.141 20 5 HIBDMO Cc1ccc([C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437344734 862622088 /nfs/dbraw/zinc/62/20/88/862622088.db2.gz UBGGMXLKPHVDDV-HRAATJIYSA-N 1 1 404.532 4.291 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCCO)[C@H]3CCc4ccccc43)o2)c1 ZINC000303540044 855025332 /nfs/dbraw/zinc/02/53/32/855025332.db2.gz HRVKSHGTYAHLBT-NRFANRHFSA-N 1 1 407.470 4.164 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000425993523 856035625 /nfs/dbraw/zinc/03/56/25/856035625.db2.gz BXFNRUNEQHZRMZ-UHFFFAOYSA-N 1 1 416.363 4.170 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1Cl ZINC000426235246 856192493 /nfs/dbraw/zinc/19/24/93/856192493.db2.gz CKKBOZLRZAHICA-HXUWFJFHSA-N 1 1 416.909 4.225 20 5 HIBDMO CCOc1cc(C[N@@H+](C)C2(C)CCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000426504254 856322951 /nfs/dbraw/zinc/32/29/51/856322951.db2.gz LZCOLLONLRJJCN-UHFFFAOYSA-N 1 1 416.522 4.342 20 5 HIBDMO CCCCNC(=O)C1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000428082135 857066151 /nfs/dbraw/zinc/06/61/51/857066151.db2.gz XOLDPWFWVOYWGJ-UHFFFAOYSA-N 1 1 416.547 4.427 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c2c(c1)COCO2 ZINC000429144086 857530277 /nfs/dbraw/zinc/53/02/77/857530277.db2.gz TXGSYBJSTQFICG-GOSISDBHSA-N 1 1 406.891 4.481 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c2c(c1)COCO2 ZINC000429144086 857530283 /nfs/dbraw/zinc/53/02/83/857530283.db2.gz TXGSYBJSTQFICG-GOSISDBHSA-N 1 1 406.891 4.481 20 5 HIBDMO Cc1nc(-c2cccc(NC(=O)C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])c2)cs1 ZINC000429278034 857587712 /nfs/dbraw/zinc/58/77/12/857587712.db2.gz ZYKYWXVMXUQXGM-UHFFFAOYSA-N 1 1 410.499 4.490 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000430213457 858084611 /nfs/dbraw/zinc/08/46/11/858084611.db2.gz SSCURAAXTFCFDQ-HXUWFJFHSA-N 1 1 415.877 4.205 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000430229111 858089471 /nfs/dbraw/zinc/08/94/71/858089471.db2.gz FKOXKDRIGNRGJO-WZONZLPQSA-N 1 1 420.469 4.207 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000430666839 858258998 /nfs/dbraw/zinc/25/89/98/858258998.db2.gz ZQGUOCIMUMTXSC-WMLDXEAASA-N 1 1 421.419 4.397 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430765871 858296235 /nfs/dbraw/zinc/29/62/35/858296235.db2.gz TVCZTNACTANBOB-WHSLLNHNSA-N 1 1 402.516 4.482 20 5 HIBDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C[C@H](C)O2 ZINC000430765872 858296390 /nfs/dbraw/zinc/29/63/90/858296390.db2.gz TVCZTNACTANBOB-XFQAVAEZSA-N 1 1 402.516 4.482 20 5 HIBDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C[C@H](C)O2 ZINC000430769524 858297966 /nfs/dbraw/zinc/29/79/66/858297966.db2.gz WCJHESZNLBTAEF-XFQAVAEZSA-N 1 1 402.516 4.482 20 5 HIBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000430864290 858343024 /nfs/dbraw/zinc/34/30/24/858343024.db2.gz JYDFNOPJSXXPRE-UZLBHIALSA-N 1 1 411.527 4.302 20 5 HIBDMO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000467560149 881382270 /nfs/dbraw/zinc/38/22/70/881382270.db2.gz ONQPJQLOVDWATD-IBGZPJMESA-N 1 1 400.475 4.183 20 5 HIBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000467560149 881382284 /nfs/dbraw/zinc/38/22/84/881382284.db2.gz ONQPJQLOVDWATD-IBGZPJMESA-N 1 1 400.475 4.183 20 5 HIBDMO C[C@@H]1C[N@@H+](CCCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432347428 859113887 /nfs/dbraw/zinc/11/38/87/859113887.db2.gz NHEUBZPLPOBONM-QGZVFWFLSA-N 1 1 417.481 4.117 20 5 HIBDMO C[C@@H]1CN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432347428 859113894 /nfs/dbraw/zinc/11/38/94/859113894.db2.gz NHEUBZPLPOBONM-QGZVFWFLSA-N 1 1 417.481 4.117 20 5 HIBDMO CSCC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000433177800 859556479 /nfs/dbraw/zinc/55/64/79/859556479.db2.gz VPBYVFMZOSJMFI-ZWKOTPCHSA-N 1 1 411.531 4.444 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433303903 859627650 /nfs/dbraw/zinc/62/76/50/859627650.db2.gz MDMXNRAKHLNACE-OAHLLOKOSA-N 1 1 403.866 4.075 20 5 HIBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433318271 859637492 /nfs/dbraw/zinc/63/74/92/859637492.db2.gz KYOWUUDUWBCELZ-OAHLLOKOSA-N 1 1 403.866 4.075 20 5 HIBDMO CC(C)c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000439423689 864826847 /nfs/dbraw/zinc/82/68/47/864826847.db2.gz SLNFPMUUBKPEFW-UHFFFAOYSA-N 1 1 417.456 4.391 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440445421 865746527 /nfs/dbraw/zinc/74/65/27/865746527.db2.gz RFNRZXORAPDJLP-KRWDZBQOSA-N 1 1 421.419 4.121 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000440522213 865803964 /nfs/dbraw/zinc/80/39/64/865803964.db2.gz UMEYYBBMOWQIBD-LJQANCHMSA-N 1 1 413.543 4.058 20 5 HIBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@H](C)O1 ZINC000440623280 865843881 /nfs/dbraw/zinc/84/38/81/865843881.db2.gz GOXYFZZMIIKRPB-HOTGVXAUSA-N 1 1 420.469 4.005 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443658048 868259262 /nfs/dbraw/zinc/25/92/62/868259262.db2.gz NDXBIYNLWHLAIH-INIZCTEOSA-N 1 1 403.866 4.039 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000443961506 868494772 /nfs/dbraw/zinc/49/47/72/868494772.db2.gz PWTXYUNEIGCWNZ-DNVCBOLYSA-N 1 1 402.520 4.478 20 5 HIBDMO COc1cccc(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000444024366 868552666 /nfs/dbraw/zinc/55/26/66/868552666.db2.gz QJHUVFRQCVBBOZ-UHFFFAOYSA-N 1 1 411.502 4.298 20 5 HIBDMO COc1cccc(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000444031712 868564838 /nfs/dbraw/zinc/56/48/38/868564838.db2.gz ATYZSNKUOIITOG-CALCHBBNSA-N 1 1 411.502 4.011 20 5 HIBDMO COc1cccc(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000444040934 868580070 /nfs/dbraw/zinc/58/00/70/868580070.db2.gz UWVHGTKWSPJGOX-CALCHBBNSA-N 1 1 411.502 4.011 20 5 HIBDMO CC1CCC([N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]2CCCO2)CC1 ZINC000444196473 868660196 /nfs/dbraw/zinc/66/01/96/868660196.db2.gz MUDPDGJDHOZUCV-KVWWFHCMSA-N 1 1 400.479 4.205 20 5 HIBDMO CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444232514 868681825 /nfs/dbraw/zinc/68/18/25/868681825.db2.gz AQYUYBPKFVQUCW-HXUWFJFHSA-N 1 1 411.505 4.028 20 5 HIBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282952 868712604 /nfs/dbraw/zinc/71/26/04/868712604.db2.gz BIRYVJVNEOPUOT-MRXNPFEDSA-N 1 1 417.484 4.071 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000444787248 869004090 /nfs/dbraw/zinc/00/40/90/869004090.db2.gz QPDYIZGBIJHBHJ-INIZCTEOSA-N 1 1 411.380 4.134 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000444787250 869004455 /nfs/dbraw/zinc/00/44/55/869004455.db2.gz QPDYIZGBIJHBHJ-MRXNPFEDSA-N 1 1 411.380 4.134 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000446280257 870213738 /nfs/dbraw/zinc/21/37/38/870213738.db2.gz HLSAMCYILMAOHQ-FXAWDEMLSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000446280257 870213746 /nfs/dbraw/zinc/21/37/46/870213746.db2.gz HLSAMCYILMAOHQ-FXAWDEMLSA-N 1 1 403.429 4.135 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000446977770 870875263 /nfs/dbraw/zinc/87/52/63/870875263.db2.gz RIRYBXGMWBZFHV-SJKOYZFVSA-N 1 1 400.422 4.459 20 5 HIBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000447317372 871210983 /nfs/dbraw/zinc/21/09/83/871210983.db2.gz CTUVFXZINALPOJ-LLVKDONJSA-N 1 1 403.287 4.026 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000447338976 871233115 /nfs/dbraw/zinc/23/31/15/871233115.db2.gz DEDCTBFAPRDMKE-QFIPXVFZSA-N 1 1 409.417 4.060 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000447670203 871601355 /nfs/dbraw/zinc/60/13/55/871601355.db2.gz ITKHZDZEKUQIEI-WCQYABFASA-N 1 1 420.382 4.097 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448257427 872182386 /nfs/dbraw/zinc/18/23/86/872182386.db2.gz VCCVBYJMUWRTLK-PBHICJAKSA-N 1 1 421.419 4.254 20 5 HIBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357150 872304272 /nfs/dbraw/zinc/30/42/72/872304272.db2.gz VVQVZWYJWKWQOU-LAPQFRIASA-N 1 1 406.866 4.277 20 5 HIBDMO COc1c(C[NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c(C)nn1C ZINC000461407407 874420126 /nfs/dbraw/zinc/42/01/26/874420126.db2.gz ORMNANPEEHFHNN-UHFFFAOYSA-N 1 1 412.515 4.395 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000461466906 874524296 /nfs/dbraw/zinc/52/42/96/874524296.db2.gz LEYAFLFIDQZBTK-LJQANCHMSA-N 1 1 411.502 4.026 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000461470951 874527204 /nfs/dbraw/zinc/52/72/04/874527204.db2.gz KKVITTFQAKGWRH-SFHVURJKSA-N 1 1 406.486 4.108 20 5 HIBDMO Cc1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461951909 875082178 /nfs/dbraw/zinc/08/21/78/875082178.db2.gz DJPMJDKQAKPHOG-INIZCTEOSA-N 1 1 408.424 4.275 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462631433 875742756 /nfs/dbraw/zinc/74/27/56/875742756.db2.gz NKIFBDNUVPBJGS-FGZHOGPDSA-N 1 1 409.530 4.144 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462631432 875743165 /nfs/dbraw/zinc/74/31/65/875743165.db2.gz NKIFBDNUVPBJGS-FCHUYYIVSA-N 1 1 409.530 4.144 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462631436 875743314 /nfs/dbraw/zinc/74/33/14/875743314.db2.gz NKIFBDNUVPBJGS-YADHBBJMSA-N 1 1 409.530 4.144 20 5 HIBDMO COc1cc(C[N@@H+](C(C)C)[C@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462872331 875902522 /nfs/dbraw/zinc/90/25/22/875902522.db2.gz DWERZCKKUZMOJK-FQEVSTJZSA-N 1 1 400.475 4.182 20 5 HIBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO ZINC000463028742 876047374 /nfs/dbraw/zinc/04/73/74/876047374.db2.gz OWORMOVJCUDCJD-LLVKDONJSA-N 1 1 415.309 4.031 20 5 HIBDMO C[N@@H+](CCc1cccc(Br)c1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000463429988 876486156 /nfs/dbraw/zinc/48/61/56/876486156.db2.gz SGQLWBIPPIZOEO-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)co2)cc1 ZINC000463439568 876496864 /nfs/dbraw/zinc/49/68/64/876496864.db2.gz AEEAXFMDXDNDSJ-HSZRJFAPSA-N 1 1 407.470 4.067 20 5 HIBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463448464 876508282 /nfs/dbraw/zinc/50/82/82/876508282.db2.gz DPNNFJUSZLLDGH-MRXNPFEDSA-N 1 1 411.380 4.164 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463709821 876829233 /nfs/dbraw/zinc/82/92/33/876829233.db2.gz LGEKMLGGJGLRNA-INIZCTEOSA-N 1 1 407.392 4.008 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463825715 876941215 /nfs/dbraw/zinc/94/12/15/876941215.db2.gz JKOLWDMANPZVJT-CABCVRRESA-N 1 1 413.440 4.340 20 5 HIBDMO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000464501942 877725394 /nfs/dbraw/zinc/72/53/94/877725394.db2.gz OTSBOVTWLUIVBT-UHFFFAOYSA-N 1 1 412.465 4.492 20 5 HIBDMO O=C([C@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000464785339 878031365 /nfs/dbraw/zinc/03/13/65/878031365.db2.gz NXUNAQCXOHTPSH-QHCPKHFHSA-N 1 1 423.513 4.192 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466513082 880287998 /nfs/dbraw/zinc/28/79/98/880287998.db2.gz GYAMZCPYQAXBJD-WIYYLYMNSA-N 1 1 410.518 4.178 20 5 HIBDMO COc1cc(CNc2ccc(C[NH+](C)C)c(Br)c2)c([N+](=O)[O-])cc1OC ZINC000466740960 880523757 /nfs/dbraw/zinc/52/37/57/880523757.db2.gz JUKGQDHCXYXDBE-UHFFFAOYSA-N 1 1 424.295 4.048 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000503577204 912659061 /nfs/dbraw/zinc/65/90/61/912659061.db2.gz VODPNDXWNNPSHS-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2c(Br)cccc2C1 ZINC000503577204 912659075 /nfs/dbraw/zinc/65/90/75/912659075.db2.gz VODPNDXWNNPSHS-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@H]1C ZINC000470155582 884428111 /nfs/dbraw/zinc/42/81/11/884428111.db2.gz ZOGUFBAYVIXXMV-FZMZJTMJSA-N 1 1 423.263 4.001 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000470209423 884526354 /nfs/dbraw/zinc/52/63/54/884526354.db2.gz INQKJGPVIRYAJF-RGEXLXHISA-N 1 1 402.498 4.496 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000470209423 884526360 /nfs/dbraw/zinc/52/63/60/884526360.db2.gz INQKJGPVIRYAJF-RGEXLXHISA-N 1 1 402.498 4.496 20 5 HIBDMO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000470610682 885036994 /nfs/dbraw/zinc/03/69/94/885036994.db2.gz FILCPJXYLHFKAD-RXVVDRJESA-N 1 1 410.518 4.004 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470909825 885418714 /nfs/dbraw/zinc/41/87/14/885418714.db2.gz VNTPMOLYBFGEDU-IBGZPJMESA-N 1 1 415.465 4.052 20 5 HIBDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000471156493 885706914 /nfs/dbraw/zinc/70/69/14/885706914.db2.gz LFBXVQHIGRBMIV-UHFFFAOYSA-N 1 1 404.470 4.137 20 5 HIBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000471156493 885706921 /nfs/dbraw/zinc/70/69/21/885706921.db2.gz LFBXVQHIGRBMIV-UHFFFAOYSA-N 1 1 404.470 4.137 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000471926462 886716100 /nfs/dbraw/zinc/71/61/00/886716100.db2.gz DGWHQYHCXJZXHT-NHCUHLMSSA-N 1 1 410.474 4.011 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000471940059 886738856 /nfs/dbraw/zinc/73/88/56/886738856.db2.gz NBCUQKVZCSWTGH-VQIMIIECSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000471940059 886738872 /nfs/dbraw/zinc/73/88/72/886738872.db2.gz NBCUQKVZCSWTGH-VQIMIIECSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000471990249 886816584 /nfs/dbraw/zinc/81/65/84/886816584.db2.gz WXOFLTCWGASRLH-LPHOPBHVSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000471990249 886816586 /nfs/dbraw/zinc/81/65/86/886816586.db2.gz WXOFLTCWGASRLH-LPHOPBHVSA-N 1 1 402.882 4.432 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000474220089 889058162 /nfs/dbraw/zinc/05/81/62/889058162.db2.gz SGZHKCOZOHNGJH-GOSISDBHSA-N 1 1 424.457 4.300 20 5 HIBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000474585733 889456407 /nfs/dbraw/zinc/45/64/07/889456407.db2.gz SQRFIGXOFUNQOF-UHFFFAOYSA-N 1 1 403.866 4.207 20 5 HIBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000474830219 889688484 /nfs/dbraw/zinc/68/84/84/889688484.db2.gz FWRHKXFECCISEC-QFIPXVFZSA-N 1 1 413.905 4.377 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000475192554 890061501 /nfs/dbraw/zinc/06/15/01/890061501.db2.gz QXFCXAFQECDEOY-MLGOLLRUSA-N 1 1 412.412 4.094 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)[C@H]2CCCSC2)ccc1Oc1ccc(F)cc1 ZINC000475507528 890424401 /nfs/dbraw/zinc/42/44/01/890424401.db2.gz GGIQWZCPVMCTJN-KRWDZBQOSA-N 1 1 406.479 4.216 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000475564629 890494480 /nfs/dbraw/zinc/49/44/80/890494480.db2.gz NBIWFSYPHQVXEJ-DENIHFKCSA-N 1 1 424.501 4.320 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000475585006 890513029 /nfs/dbraw/zinc/51/30/29/890513029.db2.gz UMHKISJPZFEDBU-KRWDZBQOSA-N 1 1 404.850 4.137 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000475585006 890513041 /nfs/dbraw/zinc/51/30/41/890513041.db2.gz UMHKISJPZFEDBU-KRWDZBQOSA-N 1 1 404.850 4.137 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475702045 890640251 /nfs/dbraw/zinc/64/02/51/890640251.db2.gz RMUSZGJNTQOGQH-GOSISDBHSA-N 1 1 402.422 4.013 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475702045 890640256 /nfs/dbraw/zinc/64/02/56/890640256.db2.gz RMUSZGJNTQOGQH-GOSISDBHSA-N 1 1 402.422 4.013 20 5 HIBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000475730516 890668849 /nfs/dbraw/zinc/66/88/49/890668849.db2.gz KBSPFCCZVYRQLL-UHFFFAOYSA-N 1 1 401.894 4.085 20 5 HIBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477083397 892017463 /nfs/dbraw/zinc/01/74/63/892017463.db2.gz PLKMLWQCLGCNTC-UHFFFAOYSA-N 1 1 418.497 4.204 20 5 HIBDMO COc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc([N+](=O)[O-])c1C ZINC000477670542 892803656 /nfs/dbraw/zinc/80/36/56/892803656.db2.gz SDYCLQCIOYFLOJ-INIZCTEOSA-N 1 1 403.523 4.029 20 5 HIBDMO Cc1c(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000478788064 894064073 /nfs/dbraw/zinc/06/40/73/894064073.db2.gz QSIYRQFIEQOVJE-QGZVFWFLSA-N 1 1 410.518 4.277 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC1 ZINC000480524887 895888486 /nfs/dbraw/zinc/88/84/86/895888486.db2.gz JKXLLGXSBQOPIQ-QHCPKHFHSA-N 1 1 422.529 4.153 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000480697330 896060168 /nfs/dbraw/zinc/06/01/68/896060168.db2.gz ATHRDMVVXLFVTH-UHFFFAOYSA-N 1 1 401.532 4.477 20 5 HIBDMO Cc1cc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c2ccccc2n1 ZINC000481180866 896521137 /nfs/dbraw/zinc/52/11/37/896521137.db2.gz NCMAPUWIVYRVQS-UHFFFAOYSA-N 1 1 416.485 4.040 20 5 HIBDMO CCC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000481406284 896812648 /nfs/dbraw/zinc/81/26/48/896812648.db2.gz QBVDMUDKYOKSNE-IBGZPJMESA-N 1 1 419.547 4.303 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481773995 897158668 /nfs/dbraw/zinc/15/86/68/897158668.db2.gz CNGQTUDQOZUQKA-UHFFFAOYSA-N 1 1 415.877 4.375 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481789767 897171273 /nfs/dbraw/zinc/17/12/73/897171273.db2.gz RGIBBGIEIKVQEF-UHFFFAOYSA-N 1 1 413.861 4.336 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481872893 897243462 /nfs/dbraw/zinc/24/34/62/897243462.db2.gz JFTBAAAYFVJLLT-NQIIRXRSSA-N 1 1 419.481 4.468 20 5 HIBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496667 898077727 /nfs/dbraw/zinc/07/77/27/898077727.db2.gz RWYKYFOTBCFLJZ-GDBMZVCRSA-N 1 1 422.865 4.051 20 5 HIBDMO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482543295 898131946 /nfs/dbraw/zinc/13/19/46/898131946.db2.gz LKHTTYQRJJZKRO-IIBYNOLFSA-N 1 1 400.498 4.288 20 5 HIBDMO Cc1c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482770131 898377331 /nfs/dbraw/zinc/37/73/31/898377331.db2.gz MTLBVJFTQOIOOH-SIKLNZKXSA-N 1 1 408.502 4.422 20 5 HIBDMO Cc1c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482770129 898377654 /nfs/dbraw/zinc/37/76/54/898377654.db2.gz MTLBVJFTQOIOOH-DENIHFKCSA-N 1 1 408.502 4.422 20 5 HIBDMO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000483407389 899037935 /nfs/dbraw/zinc/03/79/35/899037935.db2.gz NCPNDDURAGXRKM-GOSISDBHSA-N 1 1 400.529 4.347 20 5 HIBDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000483407389 899037952 /nfs/dbraw/zinc/03/79/52/899037952.db2.gz NCPNDDURAGXRKM-GOSISDBHSA-N 1 1 400.529 4.347 20 5 HIBDMO CCc1ccc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000483428220 899056982 /nfs/dbraw/zinc/05/69/82/899056982.db2.gz CCQIZNPACFAWNJ-QFIPXVFZSA-N 1 1 406.486 4.131 20 5 HIBDMO CCc1ccc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000483428220 899056996 /nfs/dbraw/zinc/05/69/96/899056996.db2.gz CCQIZNPACFAWNJ-QFIPXVFZSA-N 1 1 406.486 4.131 20 5 HIBDMO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000483441180 899075106 /nfs/dbraw/zinc/07/51/06/899075106.db2.gz IBGNOZWXCZBEOD-MRXNPFEDSA-N 1 1 415.877 4.237 20 5 HIBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000483441180 899075120 /nfs/dbraw/zinc/07/51/20/899075120.db2.gz IBGNOZWXCZBEOD-MRXNPFEDSA-N 1 1 415.877 4.237 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)nc2c1 ZINC000483471108 899113814 /nfs/dbraw/zinc/11/38/14/899113814.db2.gz QDOQHTAWLOIYGI-GHTZIAJQSA-N 1 1 406.486 4.223 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000483558764 899216324 /nfs/dbraw/zinc/21/63/24/899216324.db2.gz IDJXDBUTOMVZNP-ZWKOTPCHSA-N 1 1 405.564 4.289 20 5 HIBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000485045169 900379400 /nfs/dbraw/zinc/37/94/00/900379400.db2.gz YWXGHXFDHKYPSG-AWEZNQCLSA-N 1 1 412.446 4.245 20 5 HIBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000485045169 900379408 /nfs/dbraw/zinc/37/94/08/900379408.db2.gz YWXGHXFDHKYPSG-AWEZNQCLSA-N 1 1 412.446 4.245 20 5 HIBDMO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc1OC ZINC000485057905 900386197 /nfs/dbraw/zinc/38/61/97/900386197.db2.gz NFBRQOOMUSBIPX-UHFFFAOYSA-N 1 1 410.430 4.057 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486427350 901585379 /nfs/dbraw/zinc/58/53/79/901585379.db2.gz WUNVSZPLXWPXPP-SFHVURJKSA-N 1 1 413.543 4.301 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486466378 901628171 /nfs/dbraw/zinc/62/81/71/901628171.db2.gz XBHXJYLQCUAHSX-XRNHCUPBSA-N 1 1 408.502 4.387 20 5 HIBDMO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487185565 902091150 /nfs/dbraw/zinc/09/11/50/902091150.db2.gz MGFGXHMEEWMVJP-DENIHFKCSA-N 1 1 424.545 4.127 20 5 HIBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)[nH+]c1 ZINC000489157754 903236771 /nfs/dbraw/zinc/23/67/71/903236771.db2.gz PDUQVZJAPAWIHG-UHFFFAOYSA-N 1 1 402.520 4.278 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489585773 903479866 /nfs/dbraw/zinc/47/98/66/903479866.db2.gz QHQROXJLEAFGOH-IRFPFTSISA-N 1 1 422.529 4.459 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489867465 903639847 /nfs/dbraw/zinc/63/98/47/903639847.db2.gz AFSIWBRVLOPEQR-QGZVFWFLSA-N 1 1 413.543 4.443 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1Cl ZINC000489871560 903643607 /nfs/dbraw/zinc/64/36/07/903643607.db2.gz JTQYPFBFTRGQJN-HXUWFJFHSA-N 1 1 416.909 4.225 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000489916101 903672171 /nfs/dbraw/zinc/67/21/71/903672171.db2.gz HFWBBEFGJIFQNA-IFXJQAMLSA-N 1 1 404.898 4.220 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000490016940 903726479 /nfs/dbraw/zinc/72/64/79/903726479.db2.gz IFCAKMOXKKEHRX-HNNXBMFYSA-N 1 1 414.531 4.138 20 5 HIBDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490072266 903758835 /nfs/dbraw/zinc/75/88/35/903758835.db2.gz ARJVVVKLMWRDLP-IBGZPJMESA-N 1 1 405.882 4.205 20 5 HIBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)C[C@@H](C)O1 ZINC000490403983 903987077 /nfs/dbraw/zinc/98/70/77/903987077.db2.gz XCTMAYQRTCAFPK-QZTJIDSGSA-N 1 1 423.513 4.009 20 5 HIBDMO C[C@H](OC[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451338 904018186 /nfs/dbraw/zinc/01/81/86/904018186.db2.gz GMGJRHBEABEBJX-BTYIYWSLSA-N 1 1 404.894 4.351 20 5 HIBDMO CC(C)(NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000491004543 904364710 /nfs/dbraw/zinc/36/47/10/904364710.db2.gz STDNETPORVAESG-OAQYLSRUSA-N 1 1 424.545 4.430 20 5 HIBDMO COc1cc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000491297329 904523907 /nfs/dbraw/zinc/52/39/07/904523907.db2.gz UKSJOGJMRUMGLV-JOCHJYFZSA-N 1 1 408.454 4.500 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491425465 904592039 /nfs/dbraw/zinc/59/20/39/904592039.db2.gz ZQUFDFPUECMIOI-FDDCHVKYSA-N 1 1 422.529 4.179 20 5 HIBDMO CC(C)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000492378760 904842108 /nfs/dbraw/zinc/84/21/08/904842108.db2.gz UNEBMPWTXYZNIX-UHFFFAOYSA-N 1 1 414.218 4.363 20 5 HIBDMO Cc1nnsc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000492459632 904852881 /nfs/dbraw/zinc/85/28/81/904852881.db2.gz GKLLTQZKIHFGDU-UHFFFAOYSA-N 1 1 409.265 4.067 20 5 HIBDMO CSc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000492727203 904894508 /nfs/dbraw/zinc/89/45/08/904894508.db2.gz HBAKGEPLGIMJIS-AWEZNQCLSA-N 1 1 405.545 4.020 20 5 HIBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506233609 914855624 /nfs/dbraw/zinc/85/56/24/914855624.db2.gz HWWPVXDDGPLFDG-KRWDZBQOSA-N 1 1 403.866 4.093 20 5 HIBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@@H]2C1 ZINC000493560477 905163607 /nfs/dbraw/zinc/16/36/07/905163607.db2.gz XCTFUEFPRNWACT-IFXJQAMLSA-N 1 1 415.877 4.207 20 5 HIBDMO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512386361 921123085 /nfs/dbraw/zinc/12/30/85/921123085.db2.gz FOQBRKWCZDEBGU-RDJZCZTQSA-N 1 1 400.548 4.461 20 5 HIBDMO Cc1c(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cccc1[N+](=O)[O-] ZINC000493819297 905226755 /nfs/dbraw/zinc/22/67/55/905226755.db2.gz MNMQYIXJEMDNPQ-OAHLLOKOSA-N 1 1 419.407 4.344 20 5 HIBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@@H]21 ZINC000493928085 905279571 /nfs/dbraw/zinc/27/95/71/905279571.db2.gz QNDZPCQNWGMQTN-UZLBHIALSA-N 1 1 411.527 4.302 20 5 HIBDMO C[C@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000494070121 905409150 /nfs/dbraw/zinc/40/91/50/905409150.db2.gz VBPJHBIAJVOUHC-SUMWQHHRSA-N 1 1 407.392 4.006 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000494110704 905457779 /nfs/dbraw/zinc/45/77/79/905457779.db2.gz UPBYUVVKKDQYDY-JXFKEZNVSA-N 1 1 417.575 4.432 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000494110707 905458085 /nfs/dbraw/zinc/45/80/85/905458085.db2.gz UPBYUVVKKDQYDY-UZLBHIALSA-N 1 1 417.575 4.432 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494128890 905473932 /nfs/dbraw/zinc/47/39/32/905473932.db2.gz ULTNCKUPJDJTIV-QFBILLFUSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494128890 905473942 /nfs/dbraw/zinc/47/39/42/905473942.db2.gz ULTNCKUPJDJTIV-QFBILLFUSA-N 1 1 423.847 4.480 20 5 HIBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494129138 905473972 /nfs/dbraw/zinc/47/39/72/905473972.db2.gz WJDRGRPLQVOAOW-UYAOXDASSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494129138 905473983 /nfs/dbraw/zinc/47/39/83/905473983.db2.gz WJDRGRPLQVOAOW-UYAOXDASSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512428053 921154860 /nfs/dbraw/zinc/15/48/60/921154860.db2.gz OWFXKGVUHBSNLX-MTCRFPMVSA-N 1 1 408.502 4.450 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000494461005 905743071 /nfs/dbraw/zinc/74/30/71/905743071.db2.gz FLAQILFMCITOIN-UHFFFAOYSA-N 1 1 419.485 4.219 20 5 HIBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000512457356 921174462 /nfs/dbraw/zinc/17/44/62/921174462.db2.gz RXMGJCIAAAQSSA-OAHLLOKOSA-N 1 1 419.909 4.492 20 5 HIBDMO COC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000494715381 905918866 /nfs/dbraw/zinc/91/88/66/905918866.db2.gz OTTUVEBLOXAPHI-QFIPXVFZSA-N 1 1 406.438 4.269 20 5 HIBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@@H]2C1 ZINC000495092895 906233670 /nfs/dbraw/zinc/23/36/70/906233670.db2.gz YGAIHXQRSMCHSC-SCLBCKFNSA-N 1 1 420.307 4.143 20 5 HIBDMO CN1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@@H]2C1 ZINC000495092895 906233685 /nfs/dbraw/zinc/23/36/85/906233685.db2.gz YGAIHXQRSMCHSC-SCLBCKFNSA-N 1 1 420.307 4.143 20 5 HIBDMO CN1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@@H]2C1 ZINC000495092895 906233707 /nfs/dbraw/zinc/23/37/07/906233707.db2.gz YGAIHXQRSMCHSC-SCLBCKFNSA-N 1 1 420.307 4.143 20 5 HIBDMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497569692 907055141 /nfs/dbraw/zinc/05/51/41/907055141.db2.gz QKIVCNZQAQMMKU-IBGZPJMESA-N 1 1 411.477 4.137 20 5 HIBDMO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000512737321 921299325 /nfs/dbraw/zinc/29/93/25/921299325.db2.gz ZYHKKRLPQNEWEA-MRXNPFEDSA-N 1 1 422.407 4.318 20 5 HIBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000497947931 907414599 /nfs/dbraw/zinc/41/45/99/907414599.db2.gz DAHWWQXNGPQXMG-QHCPKHFHSA-N 1 1 424.504 4.090 20 5 HIBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000497947931 907414626 /nfs/dbraw/zinc/41/46/26/907414626.db2.gz DAHWWQXNGPQXMG-QHCPKHFHSA-N 1 1 424.504 4.090 20 5 HIBDMO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000497957462 907426684 /nfs/dbraw/zinc/42/66/84/907426684.db2.gz JKXGTPDVKXRPBO-XLIONFOSSA-N 1 1 413.543 4.371 20 5 HIBDMO COc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512858822 921361858 /nfs/dbraw/zinc/36/18/58/921361858.db2.gz ZJUGXAWSQJUIIX-QFIPXVFZSA-N 1 1 422.485 4.157 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498461642 907926748 /nfs/dbraw/zinc/92/67/48/907926748.db2.gz DULGTHBHSCMGAN-OAHLLOKOSA-N 1 1 402.520 4.103 20 5 HIBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498719510 908145000 /nfs/dbraw/zinc/14/50/00/908145000.db2.gz FJYXDISUJGUIGU-HNNXBMFYSA-N 1 1 416.909 4.027 20 5 HIBDMO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000513031662 921490188 /nfs/dbraw/zinc/49/01/88/921490188.db2.gz GQWNPGAYCVTYPF-UHFFFAOYSA-N 1 1 423.391 4.186 20 5 HIBDMO O=C(C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000500470316 909877500 /nfs/dbraw/zinc/87/75/00/909877500.db2.gz HRESRTGJRQEJFO-UHFFFAOYSA-N 1 1 406.269 4.070 20 5 HIBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500746257 910057019 /nfs/dbraw/zinc/05/70/19/910057019.db2.gz IYPIFXPJPHTYOP-NSHDSACASA-N 1 1 412.273 4.369 20 5 HIBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000513111877 921558884 /nfs/dbraw/zinc/55/88/84/921558884.db2.gz OMXSAONFFNISBU-UHFFFAOYSA-N 1 1 423.391 4.186 20 5 HIBDMO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501960727 910947867 /nfs/dbraw/zinc/94/78/67/910947867.db2.gz YQCUTHLLVYVWBI-APWZRJJASA-N 1 1 406.486 4.374 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000503086488 912056164 /nfs/dbraw/zinc/05/61/64/912056164.db2.gz IOCNSDPYQUGIOD-OAQYLSRUSA-N 1 1 407.449 4.261 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503208202 912189185 /nfs/dbraw/zinc/18/91/85/912189185.db2.gz TVZMRVRIRHUYMD-NRFANRHFSA-N 1 1 407.470 4.075 20 5 HIBDMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506442658 915041944 /nfs/dbraw/zinc/04/19/44/915041944.db2.gz AIABXYDCAWMAIM-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506442658 915041964 /nfs/dbraw/zinc/04/19/64/915041964.db2.gz AIABXYDCAWMAIM-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506470774 915068962 /nfs/dbraw/zinc/06/89/62/915068962.db2.gz NPECMWCJJICGJD-IXDOHACOSA-N 1 1 422.957 4.162 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000506552500 915198299 /nfs/dbraw/zinc/19/82/99/915198299.db2.gz JMYDGDFAEZXKRB-SFHVURJKSA-N 1 1 418.497 4.448 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513392794 921764197 /nfs/dbraw/zinc/76/41/97/921764197.db2.gz XXFLZLIMHXDVHU-HNNXBMFYSA-N 1 1 411.437 4.057 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513392794 921764206 /nfs/dbraw/zinc/76/42/06/921764206.db2.gz XXFLZLIMHXDVHU-HNNXBMFYSA-N 1 1 411.437 4.057 20 5 HIBDMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513404833 921772570 /nfs/dbraw/zinc/77/25/70/921772570.db2.gz AUYAMCYSQSMRED-IBGZPJMESA-N 1 1 401.532 4.403 20 5 HIBDMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513404833 921772578 /nfs/dbraw/zinc/77/25/78/921772578.db2.gz AUYAMCYSQSMRED-IBGZPJMESA-N 1 1 401.532 4.403 20 5 HIBDMO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)c(F)c1F ZINC000506776797 915496062 /nfs/dbraw/zinc/49/60/62/915496062.db2.gz ZEPUPSUCBWEYHR-FNORWQNLSA-N 1 1 407.392 4.376 20 5 HIBDMO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)c(F)c1F ZINC000506776797 915496073 /nfs/dbraw/zinc/49/60/73/915496073.db2.gz ZEPUPSUCBWEYHR-FNORWQNLSA-N 1 1 407.392 4.376 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000507563577 916318947 /nfs/dbraw/zinc/31/89/47/916318947.db2.gz HYCOGPQFVQGNQD-UHFFFAOYSA-N 1 1 421.522 4.246 20 5 HIBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000507951064 916812845 /nfs/dbraw/zinc/81/28/45/916812845.db2.gz MTTGOCLASZLRFC-CQSZACIVSA-N 1 1 400.385 4.303 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000508963152 917719713 /nfs/dbraw/zinc/71/97/13/917719713.db2.gz LSSPXOPQDTWLTP-UHFFFAOYSA-N 1 1 401.457 4.361 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4cc([N+](=O)[O-])cc5c4OCOC5)CC3)c2c1 ZINC000509559293 918208322 /nfs/dbraw/zinc/20/83/22/918208322.db2.gz SZVMRCWCNASHJC-UHFFFAOYSA-N 1 1 421.453 4.241 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4cc([N+](=O)[O-])cc5c4OCOC5)CC3)c2c1 ZINC000509559293 918208336 /nfs/dbraw/zinc/20/83/36/918208336.db2.gz SZVMRCWCNASHJC-UHFFFAOYSA-N 1 1 421.453 4.241 20 5 HIBDMO CCOc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510112905 918674803 /nfs/dbraw/zinc/67/48/03/918674803.db2.gz MQZSIPOOWBVOJJ-MJGOQNOKSA-N 1 1 411.502 4.024 20 5 HIBDMO CCCC[N@H+](C)CC1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510256210 918789280 /nfs/dbraw/zinc/78/92/80/918789280.db2.gz BJJBNOHQXYFNCY-INIZCTEOSA-N 1 1 401.511 4.150 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510256210 918789290 /nfs/dbraw/zinc/78/92/90/918789290.db2.gz BJJBNOHQXYFNCY-INIZCTEOSA-N 1 1 401.511 4.150 20 5 HIBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000510417742 918885229 /nfs/dbraw/zinc/88/52/29/918885229.db2.gz XSOVYBUCPARPTA-UHFFFAOYSA-N 1 1 416.547 4.189 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510418423 918886353 /nfs/dbraw/zinc/88/63/53/918886353.db2.gz WKJJTIPQXYDZNZ-KSSFIOAISA-N 1 1 404.430 4.003 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510418423 918886358 /nfs/dbraw/zinc/88/63/58/918886358.db2.gz WKJJTIPQXYDZNZ-KSSFIOAISA-N 1 1 404.430 4.003 20 5 HIBDMO CCN1CC[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000510635402 919076925 /nfs/dbraw/zinc/07/69/25/919076925.db2.gz ZBPAQPXWCMJTAP-PKOBYXMFSA-N 1 1 415.362 4.215 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000511058889 919655493 /nfs/dbraw/zinc/65/54/93/919655493.db2.gz IRAOMIDWEHZNSV-AWEZNQCLSA-N 1 1 420.307 4.167 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000511058889 919655508 /nfs/dbraw/zinc/65/55/08/919655508.db2.gz IRAOMIDWEHZNSV-AWEZNQCLSA-N 1 1 420.307 4.167 20 5 HIBDMO Cc1cc(C(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1Cc1ccco1 ZINC000511141816 919761171 /nfs/dbraw/zinc/76/11/71/919761171.db2.gz NBYVHXQYPJASQS-SFHVURJKSA-N 1 1 409.486 4.400 20 5 HIBDMO Cc1cc(C(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1Cc1ccco1 ZINC000511141816 919761191 /nfs/dbraw/zinc/76/11/91/919761191.db2.gz NBYVHXQYPJASQS-SFHVURJKSA-N 1 1 409.486 4.400 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511233769 919837574 /nfs/dbraw/zinc/83/75/74/919837574.db2.gz MYQPRZAJKYBAMC-PKOBYXMFSA-N 1 1 402.539 4.168 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511248590 919848328 /nfs/dbraw/zinc/84/83/28/919848328.db2.gz JHHJDNYUAKTCFG-HOTGVXAUSA-N 1 1 405.564 4.480 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2C1 ZINC000511395045 920005962 /nfs/dbraw/zinc/00/59/62/920005962.db2.gz GBURSCILQKADOS-UHFFFAOYSA-N 1 1 405.458 4.004 20 5 HIBDMO CC[N@H+](Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C[C@H]1CCCO1 ZINC000511539498 920162331 /nfs/dbraw/zinc/16/23/31/920162331.db2.gz FCMZVTBOPWMVGX-HXUWFJFHSA-N 1 1 400.475 4.183 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000511545657 920171888 /nfs/dbraw/zinc/17/18/88/920171888.db2.gz CFLTZKLMSSWCSA-UHFFFAOYSA-N 1 1 415.493 4.451 20 5 HIBDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000511727217 920393091 /nfs/dbraw/zinc/39/30/91/920393091.db2.gz MJLGACDQYOFVKJ-IERDGZPVSA-N 1 1 413.493 4.254 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000511760185 920440516 /nfs/dbraw/zinc/44/05/16/920440516.db2.gz WFWOAVIZTIROFH-IBGZPJMESA-N 1 1 401.894 4.279 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)co2)cc1 ZINC000511781439 920472875 /nfs/dbraw/zinc/47/28/75/920472875.db2.gz NTKJFRUTKVJWSH-FSSWDIPSSA-N 1 1 405.454 4.254 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)co2)cc1 ZINC000511781438 920473387 /nfs/dbraw/zinc/47/33/87/920473387.db2.gz NTKJFRUTKVJWSH-BHIFYINESA-N 1 1 405.454 4.254 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511880495 920612571 /nfs/dbraw/zinc/61/25/71/920612571.db2.gz VRGADFSOMUDEGX-ZVDOUQERSA-N 1 1 409.486 4.200 20 5 HIBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000512078642 920843469 /nfs/dbraw/zinc/84/34/69/920843469.db2.gz UXIGOQYWFQSLQP-LAUBAEHRSA-N 1 1 410.518 4.256 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCO)[C@H]3CCCc4ccccc43)o2)c1 ZINC000512366581 921108819 /nfs/dbraw/zinc/10/88/19/921108819.db2.gz DAXLLMMHQCKWIG-NRFANRHFSA-N 1 1 407.470 4.164 20 5 HIBDMO C[C@@H]1CC[N@@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000514090254 922412018 /nfs/dbraw/zinc/41/20/18/922412018.db2.gz UDQGVYVROXSLRL-CYBMUJFWSA-N 1 1 408.296 4.143 20 5 HIBDMO C[C@@H]1CCN(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000514090254 922412028 /nfs/dbraw/zinc/41/20/28/922412028.db2.gz UDQGVYVROXSLRL-CYBMUJFWSA-N 1 1 408.296 4.143 20 5 HIBDMO C[C@@H]1CCN(C)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000514090254 922412034 /nfs/dbraw/zinc/41/20/34/922412034.db2.gz UDQGVYVROXSLRL-CYBMUJFWSA-N 1 1 408.296 4.143 20 5 HIBDMO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000514977542 922864268 /nfs/dbraw/zinc/86/42/68/922864268.db2.gz QZKGHQYFWGJTFY-KRWDZBQOSA-N 1 1 400.397 4.309 20 5 HIBDMO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000514977542 922864270 /nfs/dbraw/zinc/86/42/70/922864270.db2.gz QZKGHQYFWGJTFY-KRWDZBQOSA-N 1 1 400.397 4.309 20 5 HIBDMO COc1ccccc1[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000517457270 924202124 /nfs/dbraw/zinc/20/21/24/924202124.db2.gz YSMIINOZAPTIFN-IBGZPJMESA-N 1 1 423.469 4.307 20 5 HIBDMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000517556422 924263724 /nfs/dbraw/zinc/26/37/24/924263724.db2.gz OAXSVQJNVULQBZ-OPAMFIHVSA-N 1 1 408.502 4.172 20 5 HIBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000517600056 926709073 /nfs/dbraw/zinc/70/90/73/926709073.db2.gz MQVPSODFJBOOIW-LJQANCHMSA-N 1 1 416.909 4.102 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000518568585 927349964 /nfs/dbraw/zinc/34/99/64/927349964.db2.gz WVFLNWQNASNAQJ-FQEVSTJZSA-N 1 1 412.490 4.026 20 5 HIBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000518807612 927504847 /nfs/dbraw/zinc/50/48/47/927504847.db2.gz MLEVUODYTLOFMM-KRWDZBQOSA-N 1 1 417.893 4.041 20 5 HIBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000518807612 927504857 /nfs/dbraw/zinc/50/48/57/927504857.db2.gz MLEVUODYTLOFMM-KRWDZBQOSA-N 1 1 417.893 4.041 20 5 HIBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000519717228 928055786 /nfs/dbraw/zinc/05/57/86/928055786.db2.gz VWEIIDJQFKQWBV-UHFFFAOYSA-N 1 1 406.364 4.338 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000519717228 928055803 /nfs/dbraw/zinc/05/58/03/928055803.db2.gz VWEIIDJQFKQWBV-UHFFFAOYSA-N 1 1 406.364 4.338 20 5 HIBDMO C[C@H]([NH2+][C@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000524888067 929874475 /nfs/dbraw/zinc/87/44/75/929874475.db2.gz HIPPOXUNUMQYCY-PGRDOPGGSA-N 1 1 419.481 4.470 20 5 HIBDMO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000532215072 931355908 /nfs/dbraw/zinc/35/59/08/931355908.db2.gz KLHOSWSQMOIRMJ-ZWKOTPCHSA-N 1 1 416.591 4.248 20 5 HIBDMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000532702408 931596083 /nfs/dbraw/zinc/59/60/83/931596083.db2.gz PANKEDRIPFPDAJ-UHFFFAOYSA-N 1 1 417.531 4.182 20 5 HIBDMO COc1ccc(-c2ccc(CNc3ccc(C[NH+]4CCOCC4)cc3)o2)c([N+](=O)[O-])c1 ZINC000532746369 931620102 /nfs/dbraw/zinc/62/01/02/931620102.db2.gz JPFXJTDQAAQYRI-UHFFFAOYSA-N 1 1 423.469 4.308 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)o2)c([N+](=O)[O-])c1 ZINC000532879826 931677336 /nfs/dbraw/zinc/67/73/36/931677336.db2.gz CVIYYKATIYPWLN-UHFFFAOYSA-N 1 1 408.410 4.371 20 5 HIBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533250516 931818862 /nfs/dbraw/zinc/81/88/62/931818862.db2.gz RZOIHPFFNMRGAO-ZDUSSCGKSA-N 1 1 407.392 4.196 20 5 HIBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533250516 931818863 /nfs/dbraw/zinc/81/88/63/931818863.db2.gz RZOIHPFFNMRGAO-ZDUSSCGKSA-N 1 1 407.392 4.196 20 5 HIBDMO C[C@@H]1SCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000533289317 931829158 /nfs/dbraw/zinc/82/91/58/931829158.db2.gz DOSPYXKUASYOFN-MGPUTAFESA-N 1 1 413.499 4.071 20 5 HIBDMO C[C@H]1SCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000533289316 931829291 /nfs/dbraw/zinc/82/92/91/931829291.db2.gz DOSPYXKUASYOFN-FOIQADDNSA-N 1 1 413.499 4.071 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(OCC4CCCCC4)CC3)n2)cc1 ZINC000533290958 931829929 /nfs/dbraw/zinc/82/99/29/931829929.db2.gz FZWLKYGZYOCJMP-UHFFFAOYSA-N 1 1 400.479 4.206 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000533334130 931840992 /nfs/dbraw/zinc/84/09/92/931840992.db2.gz NQQIIDWMGQBFBO-HNNXBMFYSA-N 1 1 410.499 4.331 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000533334130 931840994 /nfs/dbraw/zinc/84/09/94/931840994.db2.gz NQQIIDWMGQBFBO-HNNXBMFYSA-N 1 1 410.499 4.331 20 5 HIBDMO COc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000533514770 931891118 /nfs/dbraw/zinc/89/11/18/931891118.db2.gz LCUDLSDZVVUWCI-HSZRJFAPSA-N 1 1 423.444 4.369 20 5 HIBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534230739 932351740 /nfs/dbraw/zinc/35/17/40/932351740.db2.gz AKFUCUTYTSVCDF-UHFFFAOYSA-N 1 1 407.514 4.042 20 5 HIBDMO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000535367930 933096217 /nfs/dbraw/zinc/09/62/17/933096217.db2.gz GEFXRQPUGMQNHB-LAUBAEHRSA-N 1 1 420.513 4.303 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)co2)cc1 ZINC000535569188 933246157 /nfs/dbraw/zinc/24/61/57/933246157.db2.gz IVMZYDGHDAXBRU-QPJJXVBHSA-N 1 1 404.470 4.081 20 5 HIBDMO COC(=O)[C@H](C)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000535570082 933246418 /nfs/dbraw/zinc/24/64/18/933246418.db2.gz NXBLXDFTPZDCSB-MRXNPFEDSA-N 1 1 409.442 4.061 20 5 HIBDMO COC(=O)[C@H](C)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000535570082 933246426 /nfs/dbraw/zinc/24/64/26/933246426.db2.gz NXBLXDFTPZDCSB-MRXNPFEDSA-N 1 1 409.442 4.061 20 5 HIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)nc2c1 ZINC000535665714 933310203 /nfs/dbraw/zinc/31/02/03/933310203.db2.gz LPCHLTMHNRIESJ-MRXNPFEDSA-N 1 1 418.457 4.209 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)[nH]c2c1 ZINC000535665714 933310213 /nfs/dbraw/zinc/31/02/13/933310213.db2.gz LPCHLTMHNRIESJ-MRXNPFEDSA-N 1 1 418.457 4.209 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)[nH]c2c1 ZINC000535665714 933310226 /nfs/dbraw/zinc/31/02/26/933310226.db2.gz LPCHLTMHNRIESJ-MRXNPFEDSA-N 1 1 418.457 4.209 20 5 HIBDMO 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Cc1ccc(Sc2ccc(C[N@@H+]3CCC[C@@]4(CNC(=O)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000537614873 938333337 /nfs/dbraw/zinc/33/33/37/938333337.db2.gz GDHQVWGWGJYCSU-JOCHJYFZSA-N 1 1 411.527 4.157 20 5 HIBDMO Cc1ccc(Sc2ccc(C[N@H+]3CCC[C@@]4(CNC(=O)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000537614873 938333341 /nfs/dbraw/zinc/33/33/41/938333341.db2.gz GDHQVWGWGJYCSU-JOCHJYFZSA-N 1 1 411.527 4.157 20 5 HIBDMO COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000537634414 938341835 /nfs/dbraw/zinc/34/18/35/938341835.db2.gz JLXYNDPSDLDJIO-LJQANCHMSA-N 1 1 404.470 4.352 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563290310 945169751 /nfs/dbraw/zinc/16/97/51/945169751.db2.gz SMPVMSNBGMDUQV-UHFFFAOYSA-N 1 1 409.408 4.384 20 5 HIBDMO CC[N@H+](CCC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1)CC(C)C ZINC000537995345 938455794 /nfs/dbraw/zinc/45/57/94/938455794.db2.gz NKKPAJDFYVKVPK-UHFFFAOYSA-N 1 1 405.539 4.041 20 5 HIBDMO CC[N@@H+](CCC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1)CC(C)C ZINC000537995345 938455803 /nfs/dbraw/zinc/45/58/03/938455803.db2.gz NKKPAJDFYVKVPK-UHFFFAOYSA-N 1 1 405.539 4.041 20 5 HIBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538721503 938690816 /nfs/dbraw/zinc/69/08/16/938690816.db2.gz NZPNYMHWXFRANW-KRWDZBQOSA-N 1 1 404.438 4.011 20 5 HIBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000538728295 938693863 /nfs/dbraw/zinc/69/38/63/938693863.db2.gz KTKOGNVYVWFKIL-CHWSQXEVSA-N 1 1 409.280 4.353 20 5 HIBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538762408 938704140 /nfs/dbraw/zinc/70/41/40/938704140.db2.gz OIRSJEMJKHQJIW-GOSISDBHSA-N 1 1 400.475 4.041 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000538788101 938711938 /nfs/dbraw/zinc/71/19/38/938711938.db2.gz KFOSZFTUPWTTNM-KGLIPLIRSA-N 1 1 401.438 4.079 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@@H]1CCC[C@H]1O ZINC000538811694 938718970 /nfs/dbraw/zinc/71/89/70/938718970.db2.gz BNMLMBHFUXYJOL-YVEFUNNKSA-N 1 1 409.280 4.210 20 5 HIBDMO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000538952654 938747543 /nfs/dbraw/zinc/74/75/43/938747543.db2.gz ABDHFEJYHINTQF-MRXNPFEDSA-N 1 1 421.501 4.171 20 5 HIBDMO CC[N@@H+](CCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)CC(C)C ZINC000539099604 938803031 /nfs/dbraw/zinc/80/30/31/938803031.db2.gz JVDUGKKUTVCSCC-UHFFFAOYSA-N 1 1 415.538 4.225 20 5 HIBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)sc2C1 ZINC000539349855 938846639 /nfs/dbraw/zinc/84/66/39/938846639.db2.gz VUEPOMJHAWHSFS-UHFFFAOYSA-N 1 1 406.533 4.182 20 5 HIBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)sc2C1 ZINC000539349855 938846640 /nfs/dbraw/zinc/84/66/40/938846640.db2.gz VUEPOMJHAWHSFS-UHFFFAOYSA-N 1 1 406.533 4.182 20 5 HIBDMO CCC[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000539424056 938858549 /nfs/dbraw/zinc/85/85/49/938858549.db2.gz LRQOWCORPSIUCV-NRFANRHFSA-N 1 1 421.501 4.131 20 5 HIBDMO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000539816791 938941392 /nfs/dbraw/zinc/94/13/92/938941392.db2.gz CDAGGSXLFVQOFT-BTYIYWSLSA-N 1 1 410.449 4.096 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000539816791 938941394 /nfs/dbraw/zinc/94/13/94/938941394.db2.gz CDAGGSXLFVQOFT-BTYIYWSLSA-N 1 1 410.449 4.096 20 5 HIBDMO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000540053436 939051501 /nfs/dbraw/zinc/05/15/01/939051501.db2.gz BPCRIUOWBSQGAE-INIZCTEOSA-N 1 1 421.501 4.171 20 5 HIBDMO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000540509277 939281740 /nfs/dbraw/zinc/28/17/40/939281740.db2.gz QAWWZMHSLGNLKC-UHFFFAOYSA-N 1 1 413.861 4.500 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540801465 939377552 /nfs/dbraw/zinc/37/75/52/939377552.db2.gz YVSNDRPZFLFGGJ-TZIWHRDSSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540801465 939377555 /nfs/dbraw/zinc/37/75/55/939377555.db2.gz YVSNDRPZFLFGGJ-TZIWHRDSSA-N 1 1 419.884 4.270 20 5 HIBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)nc1-c1ccccc1 ZINC000541005348 939429494 /nfs/dbraw/zinc/42/94/94/939429494.db2.gz QIJRYSMMKYUEKF-NRFANRHFSA-N 1 1 418.497 4.226 20 5 HIBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563693014 945252368 /nfs/dbraw/zinc/25/23/68/945252368.db2.gz PQRLSKDREWESAW-OAHLLOKOSA-N 1 1 407.392 4.008 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000541263051 939488269 /nfs/dbraw/zinc/48/82/69/939488269.db2.gz VADFFENWOFMFBJ-IEBWSBKVSA-N 1 1 413.543 4.198 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000541282189 939489183 /nfs/dbraw/zinc/48/91/83/939489183.db2.gz MDAGVQULNMBFKL-VLIAUNLRSA-N 1 1 416.524 4.105 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000541282189 939489184 /nfs/dbraw/zinc/48/91/84/939489184.db2.gz MDAGVQULNMBFKL-VLIAUNLRSA-N 1 1 416.524 4.105 20 5 HIBDMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000542018261 939687926 /nfs/dbraw/zinc/68/79/26/939687926.db2.gz KVLNIWYMTDGUFP-GOSISDBHSA-N 1 1 423.391 4.016 20 5 HIBDMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000542018261 939687929 /nfs/dbraw/zinc/68/79/29/939687929.db2.gz KVLNIWYMTDGUFP-GOSISDBHSA-N 1 1 423.391 4.016 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000542122395 939721437 /nfs/dbraw/zinc/72/14/37/939721437.db2.gz BHFRFJDLDLAQTR-IBGZPJMESA-N 1 1 424.888 4.464 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730442 945270289 /nfs/dbraw/zinc/27/02/89/945270289.db2.gz HROSFGPRVWZTRL-FCHUYYIVSA-N 1 1 411.502 4.330 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730442 945270315 /nfs/dbraw/zinc/27/03/15/945270315.db2.gz HROSFGPRVWZTRL-FCHUYYIVSA-N 1 1 411.502 4.330 20 5 HIBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000542252810 939772968 /nfs/dbraw/zinc/77/29/68/939772968.db2.gz HDQOZVJVCMWRFD-NSHDSACASA-N 1 1 403.287 4.026 20 5 HIBDMO C[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542510352 939834862 /nfs/dbraw/zinc/83/48/62/939834862.db2.gz JMKHYVFGEMPHLV-OWCLPIDISA-N 1 1 415.465 4.085 20 5 HIBDMO C[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542510352 939834863 /nfs/dbraw/zinc/83/48/63/939834863.db2.gz JMKHYVFGEMPHLV-OWCLPIDISA-N 1 1 415.465 4.085 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000542631491 939850447 /nfs/dbraw/zinc/85/04/47/939850447.db2.gz DIFONTBICBUCHS-WIYYLYMNSA-N 1 1 415.465 4.223 20 5 HIBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542649796 939851671 /nfs/dbraw/zinc/85/16/71/939851671.db2.gz PFLBJTGJHMHSSF-KRWDZBQOSA-N 1 1 405.564 4.339 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000542915964 939877118 /nfs/dbraw/zinc/87/71/18/939877118.db2.gz UCFOJNIYQUAYSY-CVEARBPZSA-N 1 1 402.495 4.131 20 5 HIBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543558713 940108726 /nfs/dbraw/zinc/10/87/26/940108726.db2.gz HWZFCOLGJFNNAD-RBUKOAKNSA-N 1 1 412.421 4.136 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000543630091 940142856 /nfs/dbraw/zinc/14/28/56/940142856.db2.gz HLXYNVQRZULQKA-LJQANCHMSA-N 1 1 421.419 4.375 20 5 HIBDMO O=[N+]([O-])c1cccc([C@@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000543777455 940183502 /nfs/dbraw/zinc/18/35/02/940183502.db2.gz WHAZSGJUWVFDLA-RPBOFIJWSA-N 1 1 417.509 4.041 20 5 HIBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)c21 ZINC000544394211 940410808 /nfs/dbraw/zinc/41/08/08/940410808.db2.gz GSLGKKHUHXNJQU-UHFFFAOYSA-N 1 1 403.486 4.031 20 5 HIBDMO Cc1c(Br)c(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000544396290 940411492 /nfs/dbraw/zinc/41/14/92/940411492.db2.gz YEKURWYSNHIXGA-ZFWWWQNUSA-N 1 1 411.344 4.152 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544398970 940411981 /nfs/dbraw/zinc/41/19/81/940411981.db2.gz JHDNBQRHHUADPO-HKUYNNGSSA-N 1 1 413.493 4.208 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1F ZINC000544426696 940425365 /nfs/dbraw/zinc/42/53/65/940425365.db2.gz CXHLEYRVHFBNER-CQSZACIVSA-N 1 1 403.479 4.025 20 5 HIBDMO COc1ccc(C[N@@H+](C)CCc2ccncc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000544597372 940487199 /nfs/dbraw/zinc/48/71/99/940487199.db2.gz CJYVLWQBYQEQKR-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000544600469 940488087 /nfs/dbraw/zinc/48/80/87/940488087.db2.gz XQSPCVVLZSXGCX-UHFFFAOYSA-N 1 1 420.874 4.072 20 5 HIBDMO CC[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000544760546 940511509 /nfs/dbraw/zinc/51/15/09/940511509.db2.gz AHGXZAVHFDYQHC-YLJYHZDGSA-N 1 1 421.501 4.302 20 5 HIBDMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000544826979 940517746 /nfs/dbraw/zinc/51/77/46/940517746.db2.gz JLERBXUQNKHUJE-LNRXMEIDSA-N 1 1 400.475 4.156 20 5 HIBDMO C[N@@H+](Cc1ccccc1)Cc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC000546488232 940833786 /nfs/dbraw/zinc/83/37/86/940833786.db2.gz DSOXGHYDOOAVFR-UHFFFAOYSA-N 1 1 415.453 4.263 20 5 HIBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546887644 940901595 /nfs/dbraw/zinc/90/15/95/940901595.db2.gz BYASTQODSPQUQI-QGZVFWFLSA-N 1 1 402.882 4.377 20 5 HIBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000548443428 941104483 /nfs/dbraw/zinc/10/44/83/941104483.db2.gz PZOKPARORGWBRW-UHFFFAOYSA-N 1 1 402.417 4.198 20 5 HIBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)nc1 ZINC000549527613 941198120 /nfs/dbraw/zinc/19/81/20/941198120.db2.gz ULOPJIJYKRABOX-AWEZNQCLSA-N 1 1 422.407 4.168 20 5 HIBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)nc1 ZINC000549527613 941198121 /nfs/dbraw/zinc/19/81/21/941198121.db2.gz ULOPJIJYKRABOX-AWEZNQCLSA-N 1 1 422.407 4.168 20 5 HIBDMO CC1(C)SC[C@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000549555606 941199195 /nfs/dbraw/zinc/19/91/95/941199195.db2.gz FLIQSDGNVSZMHH-IAGOWNOFSA-N 1 1 405.907 4.412 20 5 HIBDMO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000549932427 941242110 /nfs/dbraw/zinc/24/21/10/941242110.db2.gz OZXRYPPXIBPXEN-UHFFFAOYSA-N 1 1 413.440 4.342 20 5 HIBDMO CCOc1ccc(Cl)cc1CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552062879 941576916 /nfs/dbraw/zinc/57/69/16/941576916.db2.gz ISVKUYFDFDSOHS-FQEVSTJZSA-N 1 1 414.893 4.302 20 5 HIBDMO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000552169839 941596590 /nfs/dbraw/zinc/59/65/90/941596590.db2.gz LLOZFQNHQUEOND-UHFFFAOYSA-N 1 1 403.526 4.089 20 5 HIBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000552169839 941596592 /nfs/dbraw/zinc/59/65/92/941596592.db2.gz LLOZFQNHQUEOND-UHFFFAOYSA-N 1 1 403.526 4.089 20 5 HIBDMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000552872275 941794920 /nfs/dbraw/zinc/79/49/20/941794920.db2.gz ZFCSNOYFUBGALP-HXUWFJFHSA-N 1 1 420.469 4.023 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553175297 941844725 /nfs/dbraw/zinc/84/47/25/941844725.db2.gz ZHMQQWXZRGJONM-DHLKQENFSA-N 1 1 421.541 4.288 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC(F)F ZINC000553676462 941942484 /nfs/dbraw/zinc/94/24/84/941942484.db2.gz IZEGSVXQSNMMRS-NRFANRHFSA-N 1 1 403.429 4.299 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@](CO)(Cc4ccc(F)cc4)C3)o2)c1 ZINC000554890471 942310312 /nfs/dbraw/zinc/31/03/12/942310312.db2.gz YTEDASISLPWSKL-HSZRJFAPSA-N 1 1 410.445 4.421 20 5 HIBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000554894327 942311075 /nfs/dbraw/zinc/31/10/75/942311075.db2.gz GBNFBOIWSZIOIB-HXUWFJFHSA-N 1 1 412.490 4.026 20 5 HIBDMO COc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(OC)n1 ZINC000554985723 942343648 /nfs/dbraw/zinc/34/36/48/942343648.db2.gz PJASVOQXSMMTSO-UHFFFAOYSA-N 1 1 403.822 4.210 20 5 HIBDMO C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000555313011 942473378 /nfs/dbraw/zinc/47/33/78/942473378.db2.gz YVKXODOMBJYTCH-NTKDMRAZSA-N 1 1 407.514 4.213 20 5 HIBDMO COc1cc(C[NH+]2CCC(CC(F)(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000556506743 942886982 /nfs/dbraw/zinc/88/69/82/942886982.db2.gz FVEWRPKCDMXTNF-UHFFFAOYSA-N 1 1 412.355 4.412 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000556544144 942895329 /nfs/dbraw/zinc/89/53/29/942895329.db2.gz MPYLXMVYYYKHRG-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000556544144 942895331 /nfs/dbraw/zinc/89/53/31/942895331.db2.gz MPYLXMVYYYKHRG-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO CC[N@@H+](CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)CC(C)C ZINC000557313201 943070347 /nfs/dbraw/zinc/07/03/47/943070347.db2.gz NDXPPYOGZGCTDP-UHFFFAOYSA-N 1 1 424.973 4.267 20 5 HIBDMO CC(C)(NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000557967696 943342430 /nfs/dbraw/zinc/34/24/30/943342430.db2.gz JALNJYCUBXOQEK-QGZVFWFLSA-N 1 1 410.518 4.453 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000558034318 943362903 /nfs/dbraw/zinc/36/29/03/943362903.db2.gz WBJQJTUEBXUETQ-QFIPXVFZSA-N 1 1 411.527 4.222 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000558184394 943418538 /nfs/dbraw/zinc/41/85/38/943418538.db2.gz RMZQFATVIMLUBL-UHFFFAOYSA-N 1 1 410.449 4.342 20 5 HIBDMO CCOc1cc(C[N@H+]2[C@H](C)CC[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000558423706 943555954 /nfs/dbraw/zinc/55/59/54/943555954.db2.gz OKQPFRVXZFODIZ-VQIMIIECSA-N 1 1 416.522 4.340 20 5 HIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000558513596 943582592 /nfs/dbraw/zinc/58/25/92/943582592.db2.gz RJDSIWQMQCEJLI-UHFFFAOYSA-N 1 1 418.444 4.222 20 5 HIBDMO CC(C)(C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000558937331 943759665 /nfs/dbraw/zinc/75/96/65/943759665.db2.gz BOVADEWWFGCTHU-UHFFFAOYSA-N 1 1 420.510 4.483 20 5 HIBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 ZINC000560173216 944186638 /nfs/dbraw/zinc/18/66/38/944186638.db2.gz AHTXLJAURZESPN-OAHLLOKOSA-N 1 1 406.504 4.026 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000560530416 944245162 /nfs/dbraw/zinc/24/51/62/944245162.db2.gz ZFYJBDIVHNBMHB-GOSISDBHSA-N 1 1 404.392 4.269 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](O)C23CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560570023 944257758 /nfs/dbraw/zinc/25/77/58/944257758.db2.gz ZXCQUTIJRRLVEA-QFIPXVFZSA-N 1 1 412.486 4.062 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000561694674 944750361 /nfs/dbraw/zinc/75/03/61/944750361.db2.gz UICRUHZGLYTLAX-HNNXBMFYSA-N 1 1 421.950 4.141 20 5 HIBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000564414976 945566788 /nfs/dbraw/zinc/56/67/88/945566788.db2.gz KPFGCJCBXAHVDA-UHFFFAOYSA-N 1 1 420.609 4.282 20 5 HIBDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000564740072 945741992 /nfs/dbraw/zinc/74/19/92/945741992.db2.gz CNQCSVXUXOVJCZ-UHFFFAOYSA-N 1 1 423.435 4.416 20 5 HIBDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000564740072 945741996 /nfs/dbraw/zinc/74/19/96/945741996.db2.gz CNQCSVXUXOVJCZ-UHFFFAOYSA-N 1 1 423.435 4.416 20 5 HIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000565334393 945814803 /nfs/dbraw/zinc/81/48/03/945814803.db2.gz MAZOIJULIKUPPG-RBBKRZOGSA-N 1 1 424.501 4.265 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000570067566 947083915 /nfs/dbraw/zinc/08/39/15/947083915.db2.gz WWXVLQODKNLVKO-HLAWJBBLSA-N 1 1 410.449 4.067 20 5 HIBDMO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000571870414 947806391 /nfs/dbraw/zinc/80/63/91/947806391.db2.gz HCEQKIROFMVTSX-LBPRGKRZSA-N 1 1 411.243 4.178 20 5 HIBDMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000571870414 947806392 /nfs/dbraw/zinc/80/63/92/947806392.db2.gz HCEQKIROFMVTSX-LBPRGKRZSA-N 1 1 411.243 4.178 20 5 HIBDMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000571901581 947809084 /nfs/dbraw/zinc/80/90/84/947809084.db2.gz IJIBRAGZSPXURS-CYBMUJFWSA-N 1 1 406.280 4.031 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000573937644 948328320 /nfs/dbraw/zinc/32/83/20/948328320.db2.gz MYOPQTULHINADE-AWEZNQCLSA-N 1 1 423.439 4.311 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000573937644 948328329 /nfs/dbraw/zinc/32/83/29/948328329.db2.gz MYOPQTULHINADE-AWEZNQCLSA-N 1 1 423.439 4.311 20 5 HIBDMO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574438215 948442202 /nfs/dbraw/zinc/44/22/02/948442202.db2.gz GPMCJXCPMFGEBE-HOCLYGCPSA-N 1 1 421.419 4.254 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000574460567 948448941 /nfs/dbraw/zinc/44/89/41/948448941.db2.gz XXGSWMJWPYPBHD-HSZRJFAPSA-N 1 1 405.454 4.262 20 5 HIBDMO Cc1c(Cc2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)cccc1[N+](=O)[O-] ZINC000575093197 948590453 /nfs/dbraw/zinc/59/04/53/948590453.db2.gz JMOTWYWWYUIBPI-UHFFFAOYSA-N 1 1 412.356 4.062 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164626062 719066544 /nfs/dbraw/zinc/06/65/44/719066544.db2.gz NZWGMGHPNLCRGS-DOTOQJQBSA-N 1 1 422.863 4.289 20 5 HIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627855 719067814 /nfs/dbraw/zinc/06/78/14/719067814.db2.gz RJBWPXXTHXSERM-IIBYNOLFSA-N 1 1 423.904 4.292 20 5 HIBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164622865 719070876 /nfs/dbraw/zinc/07/08/76/719070876.db2.gz JDTQNUOPAJUXBS-CRAIPNDOSA-N 1 1 422.863 4.289 20 5 HIBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164635844 719255715 /nfs/dbraw/zinc/25/57/15/719255715.db2.gz QRZQFPUQEZCMLE-IRXDYDNUSA-N 1 1 406.486 4.251 20 5 HIBDMO Cc1cc(Cl)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164791478 721493061 /nfs/dbraw/zinc/49/30/61/721493061.db2.gz CRYVKLHPVHDRQM-UHFFFAOYSA-N 1 1 415.925 4.228 20 5 HIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791355 721493094 /nfs/dbraw/zinc/49/30/94/721493094.db2.gz BJWCGEVJDVQOTB-UHFFFAOYSA-N 1 1 415.925 4.228 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164995615 722197060 /nfs/dbraw/zinc/19/70/60/722197060.db2.gz WDANPYSJGIJWAM-FQEVSTJZSA-N 1 1 404.873 4.336 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000006977154 845228658 /nfs/dbraw/zinc/22/86/58/845228658.db2.gz MPDOFHKBEPNKCO-ZDUSSCGKSA-N 1 1 402.838 4.370 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000006977154 845228665 /nfs/dbraw/zinc/22/86/65/845228665.db2.gz MPDOFHKBEPNKCO-ZDUSSCGKSA-N 1 1 402.838 4.370 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261406 845502285 /nfs/dbraw/zinc/50/22/85/845502285.db2.gz XWESWZQGKUDAAJ-CABCVRRESA-N 1 1 410.499 4.411 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261406 845502293 /nfs/dbraw/zinc/50/22/93/845502293.db2.gz XWESWZQGKUDAAJ-CABCVRRESA-N 1 1 410.499 4.411 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c2c(c1)COCO2 ZINC000011038212 845747918 /nfs/dbraw/zinc/74/79/18/845747918.db2.gz LHBRDBWNDGIQOS-UHFFFAOYSA-N 1 1 412.442 4.135 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000436314020 861617858 /nfs/dbraw/zinc/61/78/58/861617858.db2.gz QSEMDMVSCBRSIM-OKILXGFUSA-N 1 1 424.423 4.230 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550947 846062319 /nfs/dbraw/zinc/06/23/19/846062319.db2.gz YOLOXEBQJKNJLR-OAHLLOKOSA-N 1 1 421.457 4.057 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000016587442 846187073 /nfs/dbraw/zinc/18/70/73/846187073.db2.gz HWOAAJKOEVKODJ-NSHDSACASA-N 1 1 413.808 4.309 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000016587442 846187076 /nfs/dbraw/zinc/18/70/76/846187076.db2.gz HWOAAJKOEVKODJ-NSHDSACASA-N 1 1 413.808 4.309 20 5 HIBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)sc2C1 ZINC000021295624 846425521 /nfs/dbraw/zinc/42/55/21/846425521.db2.gz SQMCBBFRDOYWNM-UHFFFAOYSA-N 1 1 423.498 4.425 20 5 HIBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)sc2C1 ZINC000021295624 846425530 /nfs/dbraw/zinc/42/55/30/846425530.db2.gz SQMCBBFRDOYWNM-UHFFFAOYSA-N 1 1 423.498 4.425 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000026093989 847082522 /nfs/dbraw/zinc/08/25/22/847082522.db2.gz SLGMGQIXDKTQEX-UHFFFAOYSA-N 1 1 417.531 4.469 20 5 HIBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000039564074 848190648 /nfs/dbraw/zinc/19/06/48/848190648.db2.gz PAAGBNDVBZOMAY-SFHVURJKSA-N 1 1 416.566 4.024 20 5 HIBDMO Cc1c(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000043347469 848412265 /nfs/dbraw/zinc/41/22/65/848412265.db2.gz GBPFKRFQBXWJDB-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO Cc1c(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000043347469 848412271 /nfs/dbraw/zinc/41/22/71/848412271.db2.gz GBPFKRFQBXWJDB-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000045780068 848726104 /nfs/dbraw/zinc/72/61/04/848726104.db2.gz QAVHFDFBLDQNLL-GOSISDBHSA-N 1 1 410.518 4.311 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cn1 ZINC000052510379 849590150 /nfs/dbraw/zinc/59/01/50/849590150.db2.gz BCXUCNJPVZEPSU-UHFFFAOYSA-N 1 1 413.437 4.327 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053111155 849667362 /nfs/dbraw/zinc/66/73/62/849667362.db2.gz ISELTMFWFNSSRE-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053111155 849667365 /nfs/dbraw/zinc/66/73/65/849667365.db2.gz ISELTMFWFNSSRE-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000056407439 850351855 /nfs/dbraw/zinc/35/18/55/850351855.db2.gz MILUUWKZASGKBT-UHFFFAOYSA-N 1 1 412.877 4.078 20 5 HIBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000056407439 850351874 /nfs/dbraw/zinc/35/18/74/850351874.db2.gz MILUUWKZASGKBT-UHFFFAOYSA-N 1 1 412.877 4.078 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000058519778 850844220 /nfs/dbraw/zinc/84/42/20/850844220.db2.gz JAZCFHYEAGTSKQ-MRXNPFEDSA-N 1 1 412.490 4.157 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000060414174 851091939 /nfs/dbraw/zinc/09/19/39/851091939.db2.gz JOIXFQGKHTUIAS-QGZVFWFLSA-N 1 1 413.543 4.235 20 5 HIBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000063695615 851743007 /nfs/dbraw/zinc/74/30/07/851743007.db2.gz TWHCEGIXFHYZDH-LJQANCHMSA-N 1 1 410.518 4.057 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000064934742 852024261 /nfs/dbraw/zinc/02/42/61/852024261.db2.gz YZDSQJYFKDOWFC-MAUKXSAKSA-N 1 1 422.510 4.284 20 5 HIBDMO C[N@@H+](Cc1ccccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000065510466 852160891 /nfs/dbraw/zinc/16/08/91/852160891.db2.gz BWOUUOHUBHHWSA-UHFFFAOYSA-N 1 1 424.545 4.401 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065956823 852332819 /nfs/dbraw/zinc/33/28/19/852332819.db2.gz HTRSMGUVUBEVMP-INIZCTEOSA-N 1 1 407.474 4.307 20 5 HIBDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000108537532 852857525 /nfs/dbraw/zinc/85/75/25/852857525.db2.gz DNWJXZDOAHGZAR-UHFFFAOYSA-N 1 1 421.419 4.316 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000110200239 853073307 /nfs/dbraw/zinc/07/33/07/853073307.db2.gz LMOZRSPLPGYSKY-UHFFFAOYSA-N 1 1 401.894 4.029 20 5 HIBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)C[C@H](C)O1 ZINC000110414248 853097479 /nfs/dbraw/zinc/09/74/79/853097479.db2.gz HOGXYGHFQPDYDM-KDURUIRLSA-N 1 1 417.553 4.349 20 5 HIBDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140761107 853451184 /nfs/dbraw/zinc/45/11/84/853451184.db2.gz SSJGGJKFPGWEEH-JTHBVZDNSA-N 1 1 418.497 4.434 20 5 HIBDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140761107 853451194 /nfs/dbraw/zinc/45/11/94/853451194.db2.gz SSJGGJKFPGWEEH-JTHBVZDNSA-N 1 1 418.497 4.434 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000164574811 853649148 /nfs/dbraw/zinc/64/91/48/853649148.db2.gz UUFXXWWSGDXCPN-HSZRJFAPSA-N 1 1 404.470 4.139 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000164574811 853649150 /nfs/dbraw/zinc/64/91/50/853649150.db2.gz UUFXXWWSGDXCPN-HSZRJFAPSA-N 1 1 404.470 4.139 20 5 HIBDMO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])c1 ZINC000236742706 853918645 /nfs/dbraw/zinc/91/86/45/853918645.db2.gz PCFYJGZPJPCWEV-KRWDZBQOSA-N 1 1 418.515 4.096 20 5 HIBDMO CCN1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000236920688 853938426 /nfs/dbraw/zinc/93/84/26/853938426.db2.gz VGPRCFBUXQACPL-UHFFFAOYSA-N 1 1 408.296 4.191 20 5 HIBDMO CC[N@H+]1CCC[C@@H](CNCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000236930488 853939228 /nfs/dbraw/zinc/93/92/28/853939228.db2.gz FPKPXMIQBYRKMF-IBGZPJMESA-N 1 1 413.518 4.004 20 5 HIBDMO CN(C)[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000237030638 853953430 /nfs/dbraw/zinc/95/34/30/853953430.db2.gz CMFTZDDVGICCQR-QGZVFWFLSA-N 1 1 408.296 4.047 20 5 HIBDMO CCc1nc(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cs1 ZINC000237054270 853957504 /nfs/dbraw/zinc/95/75/04/853957504.db2.gz QYZGVYMEHLASBY-UHFFFAOYSA-N 1 1 413.499 4.491 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237178891 853976530 /nfs/dbraw/zinc/97/65/30/853976530.db2.gz ZTPJDFAJTUWWTF-ZDUSSCGKSA-N 1 1 408.296 4.049 20 5 HIBDMO CN1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237178891 853976553 /nfs/dbraw/zinc/97/65/53/853976553.db2.gz ZTPJDFAJTUWWTF-ZDUSSCGKSA-N 1 1 408.296 4.049 20 5 HIBDMO COc1cccc(C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000237391737 854021400 /nfs/dbraw/zinc/02/14/00/854021400.db2.gz GARFCBVEZRWBSN-UHFFFAOYSA-N 1 1 408.454 4.481 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](c3nnc4ccccn43)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000237425558 854030604 /nfs/dbraw/zinc/03/06/04/854030604.db2.gz IQDLQMBVILSOOI-OAQYLSRUSA-N 1 1 421.457 4.393 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+]CCCCN2CCOCC2)ccc1Oc1ccccc1Cl ZINC000237929609 854120893 /nfs/dbraw/zinc/12/08/93/854120893.db2.gz PCFVWGXNNDLHOL-UHFFFAOYSA-N 1 1 419.909 4.243 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261421979 854256169 /nfs/dbraw/zinc/25/61/69/854256169.db2.gz HZWBXDMDQKMWMX-SUMWQHHRSA-N 1 1 411.380 4.020 20 5 HIBDMO CCc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c4cccnc34)CC2)cs1 ZINC000301272014 854345400 /nfs/dbraw/zinc/34/54/00/854345400.db2.gz RCLDWDQTFWCYLT-UHFFFAOYSA-N 1 1 411.531 4.486 20 5 HIBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000301507203 854409519 /nfs/dbraw/zinc/40/95/19/854409519.db2.gz AAYVFUFCZKJLOS-RXVVDRJESA-N 1 1 422.529 4.296 20 5 HIBDMO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2Br)[NH+]2CCCC2)c1 ZINC000301520499 854411419 /nfs/dbraw/zinc/41/14/19/854411419.db2.gz GRCOZGWMJQALSZ-KRWDZBQOSA-N 1 1 421.295 4.010 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000301603456 854427749 /nfs/dbraw/zinc/42/77/49/854427749.db2.gz XDPGXEJTCLLUHV-GUYCJALGSA-N 1 1 405.296 4.075 20 5 HIBDMO COC(=O)c1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301710603 854449782 /nfs/dbraw/zinc/44/97/82/854449782.db2.gz XQEQSCZBJARNPN-UHFFFAOYSA-N 1 1 419.428 4.045 20 5 HIBDMO CC[N@@H+](CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000303111054 854766378 /nfs/dbraw/zinc/76/63/78/854766378.db2.gz GBQZJJMLRVAPFD-UHFFFAOYSA-N 1 1 416.909 4.074 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000303746240 855167873 /nfs/dbraw/zinc/16/78/73/855167873.db2.gz KBNFZHCDCMAABJ-CVDCTZTESA-N 1 1 424.545 4.298 20 5 HIBDMO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000303788749 855198534 /nfs/dbraw/zinc/19/85/34/855198534.db2.gz UPHQNUJRUCUYJK-XLIONFOSSA-N 1 1 411.502 4.119 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303809747 855213323 /nfs/dbraw/zinc/21/33/23/855213323.db2.gz YQDTWBFSXKQEMJ-RDJZCZTQSA-N 1 1 401.894 4.373 20 5 HIBDMO Cc1cc(Cc2noc([C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000426411316 856279324 /nfs/dbraw/zinc/27/93/24/856279324.db2.gz LSAJLJULYNOEKI-ZIAGYGMSSA-N 1 1 412.412 4.253 20 5 HIBDMO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427570257 856871564 /nfs/dbraw/zinc/87/15/64/856871564.db2.gz SOWMFNPBWRRXNO-LJQANCHMSA-N 1 1 411.477 4.137 20 5 HIBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000428471723 857212249 /nfs/dbraw/zinc/21/22/49/857212249.db2.gz YQXUSDDREGTRGN-HSZRJFAPSA-N 1 1 414.502 4.167 20 5 HIBDMO Cc1noc(C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)n1 ZINC000428653986 857290298 /nfs/dbraw/zinc/29/02/98/857290298.db2.gz UOHUFGKDXBZFRE-LJQANCHMSA-N 1 1 421.482 4.483 20 5 HIBDMO Cc1ccc(C)c(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000429284440 857590530 /nfs/dbraw/zinc/59/05/30/857590530.db2.gz CUZNVZOVMLRQKA-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO Cc1ccc(C)c(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000429284440 857590540 /nfs/dbraw/zinc/59/05/40/857590540.db2.gz CUZNVZOVMLRQKA-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000430194568 858076372 /nfs/dbraw/zinc/07/63/72/858076372.db2.gz JWSJJBFLYPAHQZ-MRXNPFEDSA-N 1 1 412.421 4.172 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000431000877 858400192 /nfs/dbraw/zinc/40/01/92/858400192.db2.gz SFYFDXAUVWOKCM-OAHLLOKOSA-N 1 1 401.488 4.031 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000432029160 858938852 /nfs/dbraw/zinc/93/88/52/858938852.db2.gz BCFPAAANSFHKAS-MRXNPFEDSA-N 1 1 419.485 4.180 20 5 HIBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CCCO1 ZINC000467566466 881389842 /nfs/dbraw/zinc/38/98/42/881389842.db2.gz WZYADEDRTOPERE-HXUWFJFHSA-N 1 1 400.475 4.183 20 5 HIBDMO CCOc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000433047281 859499059 /nfs/dbraw/zinc/49/90/59/859499059.db2.gz WSEZDLDWOJKQDD-LPHOPBHVSA-N 1 1 416.522 4.198 20 5 HIBDMO CCOc1cc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)ccc1OC(F)F ZINC000434832199 860511511 /nfs/dbraw/zinc/51/15/11/860511511.db2.gz CJMXBTLRMFKXRS-UHFFFAOYSA-N 1 1 407.373 4.368 20 5 HIBDMO CCOc1cc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)ccc1OC(F)F ZINC000434832199 860511516 /nfs/dbraw/zinc/51/15/16/860511516.db2.gz CJMXBTLRMFKXRS-UHFFFAOYSA-N 1 1 407.373 4.368 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434899070 860544504 /nfs/dbraw/zinc/54/45/04/860544504.db2.gz ZEHMWBQEFHLNFO-UHFFFAOYSA-N 1 1 413.861 4.336 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435636274 860928697 /nfs/dbraw/zinc/92/86/97/860928697.db2.gz IZZUIKWQDPJKOB-UHFFFAOYSA-N 1 1 406.486 4.263 20 5 HIBDMO C[NH+](C)C1(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000438320605 863800345 /nfs/dbraw/zinc/80/03/45/863800345.db2.gz CYMZOMNOPBIJEU-UHFFFAOYSA-N 1 1 405.502 4.021 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000438947069 864420854 /nfs/dbraw/zinc/42/08/54/864420854.db2.gz ADDQZQRZHRNQAM-JIPZTSHUSA-N 1 1 415.921 4.443 20 5 HIBDMO CC(C)c1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1[N+](=O)[O-] ZINC000439467016 864843016 /nfs/dbraw/zinc/84/30/16/864843016.db2.gz VYVHWQBLFHQMSS-UHFFFAOYSA-N 1 1 407.514 4.381 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCCOCc1ccccc1 ZINC000439479259 864846807 /nfs/dbraw/zinc/84/68/07/864846807.db2.gz RISPJRPEQGTUGC-OAHLLOKOSA-N 1 1 405.882 4.114 20 5 HIBDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499990 865797485 /nfs/dbraw/zinc/79/74/85/865797485.db2.gz OCFAYAGCWXXZRH-BBWFWOEESA-N 1 1 411.506 4.017 20 5 HIBDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499990 865797494 /nfs/dbraw/zinc/79/74/94/865797494.db2.gz OCFAYAGCWXXZRH-BBWFWOEESA-N 1 1 411.506 4.017 20 5 HIBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441062679 866143519 /nfs/dbraw/zinc/14/35/19/866143519.db2.gz NMVJGDFNOPFYNB-WMZOPIPTSA-N 1 1 411.527 4.302 20 5 HIBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441071048 866159220 /nfs/dbraw/zinc/15/92/20/866159220.db2.gz PXZLWYJMMKSYNN-GFCCVEGCSA-N 1 1 401.410 4.329 20 5 HIBDMO COc1ccc(OCC[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000441220448 866296820 /nfs/dbraw/zinc/29/68/20/866296820.db2.gz AIMPNJAUFHNAML-UHFFFAOYSA-N 1 1 418.877 4.231 20 5 HIBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000442635703 867579735 /nfs/dbraw/zinc/57/97/35/867579735.db2.gz QIVOGUFZGCFETG-WMZOPIPTSA-N 1 1 411.527 4.302 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442805168 867681531 /nfs/dbraw/zinc/68/15/31/867681531.db2.gz ZCFXJTIIMVONMD-KRWDZBQOSA-N 1 1 411.527 4.493 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638463 868222851 /nfs/dbraw/zinc/22/28/51/868222851.db2.gz INDBJJITDKOWCT-CQSZACIVSA-N 1 1 412.421 4.002 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638463 868222868 /nfs/dbraw/zinc/22/28/68/868222868.db2.gz INDBJJITDKOWCT-CQSZACIVSA-N 1 1 412.421 4.002 20 5 HIBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648558 868242171 /nfs/dbraw/zinc/24/21/71/868242171.db2.gz YYXDTGWLZJOVOC-ZIAGYGMSSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648558 868242198 /nfs/dbraw/zinc/24/21/98/868242198.db2.gz YYXDTGWLZJOVOC-ZIAGYGMSSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443875023 868406297 /nfs/dbraw/zinc/40/62/97/868406297.db2.gz IJBCPDXJAMVJBV-DKICVRJWSA-N 1 1 417.893 4.163 20 5 HIBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443875023 868406320 /nfs/dbraw/zinc/40/63/20/868406320.db2.gz IJBCPDXJAMVJBV-DKICVRJWSA-N 1 1 417.893 4.163 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444032413 868565411 /nfs/dbraw/zinc/56/54/11/868565411.db2.gz KOOVGUUTMPAZNU-RBUKOAKNSA-N 1 1 417.553 4.408 20 5 HIBDMO C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000444301611 868732106 /nfs/dbraw/zinc/73/21/06/868732106.db2.gz FZIDNVWEPYITGA-CVEARBPZSA-N 1 1 421.516 4.203 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000444658698 868937636 /nfs/dbraw/zinc/93/76/36/868937636.db2.gz ODYGZQGVRSAIKI-CQSZACIVSA-N 1 1 422.420 4.040 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000444658698 868937644 /nfs/dbraw/zinc/93/76/44/868937644.db2.gz ODYGZQGVRSAIKI-CQSZACIVSA-N 1 1 422.420 4.040 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000444664602 868944379 /nfs/dbraw/zinc/94/43/79/868944379.db2.gz MSZCIRWKUSYZMX-NEPJUHHUSA-N 1 1 403.389 4.017 20 5 HIBDMO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687603 868958832 /nfs/dbraw/zinc/95/88/32/868958832.db2.gz BCAYSAIYAHZAPM-JTQLQIEISA-N 1 1 405.252 4.093 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000444903314 869091252 /nfs/dbraw/zinc/09/12/52/869091252.db2.gz XSEKTGKAYOHQLA-WIYYLYMNSA-N 1 1 424.501 4.122 20 5 HIBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000444929432 869112773 /nfs/dbraw/zinc/11/27/73/869112773.db2.gz YDGYZYOUQVOVBK-LPHOPBHVSA-N 1 1 412.490 4.293 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000446226604 870163284 /nfs/dbraw/zinc/16/32/84/870163284.db2.gz MTBWERNKMPXMTB-CRAIPNDOSA-N 1 1 408.285 4.385 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000446226604 870163288 /nfs/dbraw/zinc/16/32/88/870163288.db2.gz MTBWERNKMPXMTB-CRAIPNDOSA-N 1 1 408.285 4.385 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000446499579 870417778 /nfs/dbraw/zinc/41/77/78/870417778.db2.gz QYPKJAMNWCGIGN-HSZRJFAPSA-N 1 1 408.502 4.423 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000446854316 870775188 /nfs/dbraw/zinc/77/51/88/870775188.db2.gz WVHHPAJGWLWDKC-UHFFFAOYSA-N 1 1 406.429 4.013 20 5 HIBDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546333 871416715 /nfs/dbraw/zinc/41/67/15/871416715.db2.gz VARWLOBRARKCPK-FGZHOGPDSA-N 1 1 423.517 4.290 20 5 HIBDMO COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448362030 872311327 /nfs/dbraw/zinc/31/13/27/872311327.db2.gz ZDBNQPSUNPFFIA-UTKZUKDTSA-N 1 1 414.502 4.308 20 5 HIBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448450633 872397322 /nfs/dbraw/zinc/39/73/22/872397322.db2.gz VKUCVRAISDJMCE-HTAPYJJXSA-N 1 1 421.497 4.476 20 5 HIBDMO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460354824 872976983 /nfs/dbraw/zinc/97/69/83/872976983.db2.gz UPDACLNLMOGGAG-AWEZNQCLSA-N 1 1 412.494 4.030 20 5 HIBDMO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460354824 872976998 /nfs/dbraw/zinc/97/69/98/872976998.db2.gz UPDACLNLMOGGAG-AWEZNQCLSA-N 1 1 412.494 4.030 20 5 HIBDMO CC[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000460497093 873183929 /nfs/dbraw/zinc/18/39/29/873183929.db2.gz RXJFIXLOTQFTNI-XJUOHMSHSA-N 1 1 422.529 4.209 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000460977334 873870621 /nfs/dbraw/zinc/87/06/21/873870621.db2.gz FYQMGJKGXIRBRY-UHFFFAOYSA-N 1 1 421.419 4.316 20 5 HIBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000468692791 882816347 /nfs/dbraw/zinc/81/63/47/882816347.db2.gz GBADELXMWKXQFD-HXUWFJFHSA-N 1 1 414.502 4.431 20 5 HIBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc2[N+](=O)[O-])C1 ZINC000461266467 874274849 /nfs/dbraw/zinc/27/48/49/874274849.db2.gz VVJNZUQZGOKJKX-GGPKGHCWSA-N 1 1 416.566 4.024 20 5 HIBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc2[N+](=O)[O-])C1 ZINC000461266468 874275941 /nfs/dbraw/zinc/27/59/41/874275941.db2.gz VVJNZUQZGOKJKX-NSHGMRRFSA-N 1 1 416.566 4.024 20 5 HIBDMO CSc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000461464873 874522740 /nfs/dbraw/zinc/52/27/40/874522740.db2.gz CJNPKZIHYSYSIF-SFHVURJKSA-N 1 1 413.543 4.349 20 5 HIBDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000468878133 882913718 /nfs/dbraw/zinc/91/37/18/882913718.db2.gz HQNSKCCTTCAUGV-LLVKDONJSA-N 1 1 423.263 4.083 20 5 HIBDMO Cc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(N2CCCC2)[nH+]1 ZINC000462276972 875402994 /nfs/dbraw/zinc/40/29/94/875402994.db2.gz USXXOTPEBPVBGJ-UHFFFAOYSA-N 1 1 411.506 4.019 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462447466 875553569 /nfs/dbraw/zinc/55/35/69/875553569.db2.gz OIWTYBXOQXXGGO-KBPBESRZSA-N 1 1 422.938 4.016 20 5 HIBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462489450 875600592 /nfs/dbraw/zinc/60/05/92/875600592.db2.gz NNYVIEILWODWLA-GOSISDBHSA-N 1 1 407.474 4.169 20 5 HIBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000462859172 875892480 /nfs/dbraw/zinc/89/24/80/875892480.db2.gz CJPBAHQWWQZNNP-XLIONFOSSA-N 1 1 410.518 4.322 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462993592 876008855 /nfs/dbraw/zinc/00/88/55/876008855.db2.gz SWCWZQXXYGORQL-SESVDKBCSA-N 1 1 401.551 4.277 20 5 HIBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463093667 876126365 /nfs/dbraw/zinc/12/63/65/876126365.db2.gz NFYUQXZPUIADSR-INIZCTEOSA-N 1 1 407.392 4.008 20 5 HIBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000463197910 876258660 /nfs/dbraw/zinc/25/86/60/876258660.db2.gz KIGDQUICCLSKAO-SEVLPDGMSA-N 1 1 413.518 4.444 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463382912 876437949 /nfs/dbraw/zinc/43/79/49/876437949.db2.gz VASVNFZJASGYJC-OKILXGFUSA-N 1 1 401.429 4.102 20 5 HIBDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000468999605 883065794 /nfs/dbraw/zinc/06/57/94/883065794.db2.gz NYNOXPOKNSAIEZ-VXGBXAGGSA-N 1 1 422.279 4.044 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463825716 876940918 /nfs/dbraw/zinc/94/09/18/876940918.db2.gz JKOLWDMANPZVJT-GJZGRUSLSA-N 1 1 413.440 4.340 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732519 877969262 /nfs/dbraw/zinc/96/92/62/877969262.db2.gz HKSVKILURLTFTM-ZBFHGGJFSA-N 1 1 401.429 4.169 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465573969 879048700 /nfs/dbraw/zinc/04/87/00/879048700.db2.gz ORGRIZKHTDUVJP-SFHVURJKSA-N 1 1 410.518 4.011 20 5 HIBDMO Cc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000466015210 879697818 /nfs/dbraw/zinc/69/78/18/879697818.db2.gz ICTCDYRSTFIMHC-UHFFFAOYSA-N 1 1 408.458 4.450 20 5 HIBDMO Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000466015210 879697823 /nfs/dbraw/zinc/69/78/23/879697823.db2.gz ICTCDYRSTFIMHC-UHFFFAOYSA-N 1 1 408.458 4.450 20 5 HIBDMO COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)c2C)cc1 ZINC000466462716 880243793 /nfs/dbraw/zinc/24/37/93/880243793.db2.gz MBJNFIPGSSORDP-UHFFFAOYSA-N 1 1 414.893 4.408 20 5 HIBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000466814697 880589739 /nfs/dbraw/zinc/58/97/39/880589739.db2.gz SCIXFUAMPHVQIU-ZDUSSCGKSA-N 1 1 405.907 4.081 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CCc3c(Br)cccc3C2)cccc1[N+](=O)[O-] ZINC000503575441 912656641 /nfs/dbraw/zinc/65/66/41/912656641.db2.gz DSRJIKVKAFUZJE-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCc3c(Br)cccc3C2)cccc1[N+](=O)[O-] ZINC000503575441 912656659 /nfs/dbraw/zinc/65/66/59/912656659.db2.gz DSRJIKVKAFUZJE-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc1Br ZINC000469498430 883743059 /nfs/dbraw/zinc/74/30/59/883743059.db2.gz WVNVQLQXZYLRNT-UHFFFAOYSA-N 1 1 417.263 4.153 20 5 HIBDMO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)c([N+](=O)[O-])cc1F ZINC000469756549 883921270 /nfs/dbraw/zinc/92/12/70/883921270.db2.gz MPBQTPBJOSHLDR-SNVBAGLBSA-N 1 1 413.243 4.364 20 5 HIBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470127519 884390193 /nfs/dbraw/zinc/39/01/93/884390193.db2.gz COPCRSKSARJWRI-KPZWWZAWSA-N 1 1 424.835 4.341 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000470178237 884461187 /nfs/dbraw/zinc/46/11/87/884461187.db2.gz JDZXPGRPQBYTFO-SDXDJHTJSA-N 1 1 415.921 4.348 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036359 885544758 /nfs/dbraw/zinc/54/47/58/885544758.db2.gz ZFUMEDMQNPLGSP-PGRDOPGGSA-N 1 1 424.501 4.102 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036359 885544760 /nfs/dbraw/zinc/54/47/60/885544760.db2.gz ZFUMEDMQNPLGSP-PGRDOPGGSA-N 1 1 424.501 4.102 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473502491 888227319 /nfs/dbraw/zinc/22/73/19/888227319.db2.gz KDZNSWAVTAZXIJ-XMMPIXPASA-N 1 1 419.481 4.469 20 5 HIBDMO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473790449 888604291 /nfs/dbraw/zinc/60/42/91/888604291.db2.gz UXNUXWIBEJWBGM-UGKGYDQZSA-N 1 1 408.502 4.422 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000473984501 888846660 /nfs/dbraw/zinc/84/66/60/888846660.db2.gz ABJYFPQBYPEADS-LLVKDONJSA-N 1 1 413.257 4.304 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000474156936 888991231 /nfs/dbraw/zinc/99/12/31/888991231.db2.gz GQCRHTLRKUEANZ-UHFFFAOYSA-N 1 1 403.454 4.372 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000474237978 889084271 /nfs/dbraw/zinc/08/42/71/889084271.db2.gz WJNSICDXXNHOCJ-QGZVFWFLSA-N 1 1 422.441 4.261 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000474237978 889084286 /nfs/dbraw/zinc/08/42/86/889084286.db2.gz WJNSICDXXNHOCJ-QGZVFWFLSA-N 1 1 422.441 4.261 20 5 HIBDMO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000475113194 889964134 /nfs/dbraw/zinc/96/41/34/889964134.db2.gz RBGYFFBKJRJTGQ-YADARESESA-N 1 1 422.529 4.354 20 5 HIBDMO COc1cc(C[NH2+][C@@H]2CCOc3c(C)cccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000475144144 890011015 /nfs/dbraw/zinc/01/10/15/890011015.db2.gz FXGAIJUJAGRQCC-OAHLLOKOSA-N 1 1 408.401 4.169 20 5 HIBDMO CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475170951 890037974 /nfs/dbraw/zinc/03/79/74/890037974.db2.gz BLSQQRLFQXDVPJ-RXVVDRJESA-N 1 1 410.518 4.270 20 5 HIBDMO CC[NH+](CC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C)n1)c1cccc(C(F)(F)F)c1 ZINC000475310913 890225202 /nfs/dbraw/zinc/22/52/02/890225202.db2.gz RCGKNHHMPUZYLU-KRWDZBQOSA-N 1 1 410.396 4.339 20 5 HIBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475469079 890377736 /nfs/dbraw/zinc/37/77/36/890377736.db2.gz PONNZZQEUMVWBP-IBGZPJMESA-N 1 1 411.502 4.120 20 5 HIBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000475628183 890566717 /nfs/dbraw/zinc/56/67/17/890566717.db2.gz ZUHWENRATKTREY-QRWLVFNGSA-N 1 1 406.866 4.278 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000475644235 890586779 /nfs/dbraw/zinc/58/67/79/890586779.db2.gz YZIDLRYVCFJKNR-HNAYVOBHSA-N 1 1 402.520 4.478 20 5 HIBDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066018 891999328 /nfs/dbraw/zinc/99/93/28/891999328.db2.gz MTFDOEGCOZCPGW-PEGYKEAPSA-N 1 1 413.499 4.223 20 5 HIBDMO CCOc1ccc([C@@H](C)NCC2([NH+]3CCC(OC)CC3)CCCC2)cc1[N+](=O)[O-] ZINC000504905446 913638955 /nfs/dbraw/zinc/63/89/55/913638955.db2.gz IQQFAASPDWKCRA-QGZVFWFLSA-N 1 1 405.539 4.068 20 5 HIBDMO COc1ccc(CSCC(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000478047699 893190443 /nfs/dbraw/zinc/19/04/43/893190443.db2.gz NXWKZUFBCDSDOQ-UHFFFAOYSA-N 1 1 423.922 4.190 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053974 893207059 /nfs/dbraw/zinc/20/70/59/893207059.db2.gz NWNQVNOGZZVEFC-MJGOQNOKSA-N 1 1 416.566 4.207 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478633514 893886661 /nfs/dbraw/zinc/88/66/61/893886661.db2.gz SNEXHGPCNYFTAI-KRWDZBQOSA-N 1 1 405.564 4.190 20 5 HIBDMO CCOc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000479509729 894823502 /nfs/dbraw/zinc/82/35/02/894823502.db2.gz COAHKDDLKUVVHN-SWLSCSKDSA-N 1 1 414.380 4.276 20 5 HIBDMO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000479629945 894896731 /nfs/dbraw/zinc/89/67/31/894896731.db2.gz VYOLIXHNJOCPAS-FXAWDEMLSA-N 1 1 411.502 4.209 20 5 HIBDMO Cc1c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480073865 895423942 /nfs/dbraw/zinc/42/39/42/895423942.db2.gz XXIAAPNRFBBGRQ-FYYLOGMGSA-N 1 1 422.529 4.099 20 5 HIBDMO Cc1c(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000480075491 895426861 /nfs/dbraw/zinc/42/68/61/895426861.db2.gz SQOUMZHYRVHFEW-KRWDZBQOSA-N 1 1 402.539 4.089 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cccnc3OCC(F)F)o2)c([N+](=O)[O-])c1 ZINC000480127345 895503178 /nfs/dbraw/zinc/50/31/78/895503178.db2.gz OVXUJBOOMJAPGL-UHFFFAOYSA-N 1 1 419.384 4.192 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481176894 896512495 /nfs/dbraw/zinc/51/24/95/896512495.db2.gz OYFKIXRSDKKHIP-VGOFRKELSA-N 1 1 406.486 4.250 20 5 HIBDMO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481545261 896907640 /nfs/dbraw/zinc/90/76/40/896907640.db2.gz QZAOSBPJWGCRRX-KPZWWZAWSA-N 1 1 402.838 4.164 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481872906 897244359 /nfs/dbraw/zinc/24/43/59/897244359.db2.gz JFTBAAAYFVJLLT-WIYYLYMNSA-N 1 1 419.481 4.468 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000482084438 897524230 /nfs/dbraw/zinc/52/42/30/897524230.db2.gz OZRBFRQJOILIFI-UGKGYDQZSA-N 1 1 421.453 4.057 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[N@H+]2C2CC2)c1 ZINC000482084438 897524241 /nfs/dbraw/zinc/52/42/41/897524241.db2.gz OZRBFRQJOILIFI-UGKGYDQZSA-N 1 1 421.453 4.057 20 5 HIBDMO CCc1ccc([C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[NH2+]2)cc1 ZINC000505515696 914205423 /nfs/dbraw/zinc/20/54/23/914205423.db2.gz MXZLYYPGXQLMJH-IBGZPJMESA-N 1 1 422.510 4.067 20 5 HIBDMO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482543297 898131331 /nfs/dbraw/zinc/13/13/31/898131331.db2.gz LKHTTYQRJJZKRO-KKSFZXQISA-N 1 1 400.498 4.288 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000482575971 898171750 /nfs/dbraw/zinc/17/17/50/898171750.db2.gz TZYYASSGHKKFSX-UHFFFAOYSA-N 1 1 408.502 4.436 20 5 HIBDMO Cc1c(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482770130 898377614 /nfs/dbraw/zinc/37/76/14/898377614.db2.gz MTLBVJFTQOIOOH-KNQAVFIVSA-N 1 1 408.502 4.422 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000482925728 898545511 /nfs/dbraw/zinc/54/55/11/898545511.db2.gz HHPQZOIXGAGKFR-GOSISDBHSA-N 1 1 411.502 4.024 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000482925728 898545522 /nfs/dbraw/zinc/54/55/22/898545522.db2.gz HHPQZOIXGAGKFR-GOSISDBHSA-N 1 1 411.502 4.024 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000483558762 899215718 /nfs/dbraw/zinc/21/57/18/899215718.db2.gz IDJXDBUTOMVZNP-ROUUACIJSA-N 1 1 405.564 4.289 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000484945797 900314755 /nfs/dbraw/zinc/31/47/55/900314755.db2.gz CXJFIJCVKAMHQO-ROUUACIJSA-N 1 1 413.905 4.151 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000485162881 900461558 /nfs/dbraw/zinc/46/15/58/900461558.db2.gz SGVIZEYNHIHGRK-XLIONFOSSA-N 1 1 410.518 4.056 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000485705878 900955598 /nfs/dbraw/zinc/95/55/98/900955598.db2.gz QNQURMFOZNDKDE-HNNXBMFYSA-N 1 1 417.456 4.106 20 5 HIBDMO CSc1cccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000486238884 901420694 /nfs/dbraw/zinc/42/06/94/901420694.db2.gz FCDUMAXEHMGBFZ-UHFFFAOYSA-N 1 1 403.529 4.118 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000486753920 901830447 /nfs/dbraw/zinc/83/04/47/901830447.db2.gz QVELKXWTNAWHMR-IAGOWNOFSA-N 1 1 405.564 4.433 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000505925247 914573399 /nfs/dbraw/zinc/57/33/99/914573399.db2.gz QFYSKWZTFOUJAR-SQNIBIBYSA-N 1 1 405.564 4.188 20 5 HIBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000505953981 914608714 /nfs/dbraw/zinc/60/87/14/914608714.db2.gz QPCSWQQEETZEEJ-UHFFFAOYSA-N 1 1 419.485 4.189 20 5 HIBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]2CCCC[C@@H]12 ZINC000490005088 903721573 /nfs/dbraw/zinc/72/15/73/903721573.db2.gz OLRBUACCAGBVCM-FLFBIERCSA-N 1 1 417.550 4.287 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490041794 903738154 /nfs/dbraw/zinc/73/81/54/903738154.db2.gz GUPIYRRJPHBEFD-JTQLQIEISA-N 1 1 402.398 4.058 20 5 HIBDMO CS(=O)(=O)Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000490139239 903787722 /nfs/dbraw/zinc/78/77/22/903787722.db2.gz YZIDPAAJGUYYPR-JOCHJYFZSA-N 1 1 410.495 4.019 20 5 HIBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000490196749 903821920 /nfs/dbraw/zinc/82/19/20/903821920.db2.gz LJHURUPTFQLBMU-UYAOXDASSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000490196749 903821926 /nfs/dbraw/zinc/82/19/26/903821926.db2.gz LJHURUPTFQLBMU-UYAOXDASSA-N 1 1 403.429 4.135 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)C[C@H](C)O1 ZINC000490403982 903987690 /nfs/dbraw/zinc/98/76/90/903987690.db2.gz XCTMAYQRTCAFPK-HDICACEKSA-N 1 1 423.513 4.009 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)C[C@H](C)O1 ZINC000490403982 903987710 /nfs/dbraw/zinc/98/77/10/903987710.db2.gz XCTMAYQRTCAFPK-HDICACEKSA-N 1 1 423.513 4.009 20 5 HIBDMO O=C(NCc1ccco1)c1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490817043 904263503 /nfs/dbraw/zinc/26/35/03/904263503.db2.gz FQKBQHCEKXJLEN-UHFFFAOYSA-N 1 1 405.454 4.282 20 5 HIBDMO O=C(NCc1ccco1)c1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490817043 904263514 /nfs/dbraw/zinc/26/35/14/904263514.db2.gz FQKBQHCEKXJLEN-UHFFFAOYSA-N 1 1 405.454 4.282 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](c4nnc5ccccn54)C3)cs2)c1 ZINC000506127333 914814493 /nfs/dbraw/zinc/81/44/93/914814493.db2.gz ZFEGDCIGWAKFRT-INIZCTEOSA-N 1 1 420.498 4.141 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cs1 ZINC000506126625 914814500 /nfs/dbraw/zinc/81/45/00/914814500.db2.gz UVYNKIFGYWFCGF-LBPRGKRZSA-N 1 1 411.409 4.097 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cs1 ZINC000506126625 914814501 /nfs/dbraw/zinc/81/45/01/914814501.db2.gz UVYNKIFGYWFCGF-LBPRGKRZSA-N 1 1 411.409 4.097 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491425467 904591948 /nfs/dbraw/zinc/59/19/48/904591948.db2.gz ZQUFDFPUECMIOI-MBSDFSHPSA-N 1 1 422.529 4.179 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938069 904960030 /nfs/dbraw/zinc/96/00/30/904960030.db2.gz SSXOTELQVFNWLN-RXVVDRJESA-N 1 1 410.518 4.270 20 5 HIBDMO C[C@H](c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)[NH+]1CCOCC1 ZINC000494186361 905521516 /nfs/dbraw/zinc/52/15/16/905521516.db2.gz RORNHQBGTAAFEH-QGZVFWFLSA-N 1 1 424.501 4.185 20 5 HIBDMO C[C@@H](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000494416104 905705212 /nfs/dbraw/zinc/70/52/12/905705212.db2.gz JFLIGPFRYOXKLS-SFHVURJKSA-N 1 1 410.518 4.179 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000495023408 906183172 /nfs/dbraw/zinc/18/31/72/906183172.db2.gz GVAVBYZQMFIUKD-WIYYLYMNSA-N 1 1 422.529 4.322 20 5 HIBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495104586 906242540 /nfs/dbraw/zinc/24/25/40/906242540.db2.gz YJNOTKOANHHQPN-QZTJIDSGSA-N 1 1 411.502 4.024 20 5 HIBDMO COc1cccc(C2=CC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000512710492 921293618 /nfs/dbraw/zinc/29/36/18/921293618.db2.gz UDLOSIAJULMEFK-UHFFFAOYSA-N 1 1 404.470 4.293 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000498317321 907837245 /nfs/dbraw/zinc/83/72/45/907837245.db2.gz MNKMQRMOTZYYIK-SFHVURJKSA-N 1 1 420.513 4.240 20 5 HIBDMO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706350 908131351 /nfs/dbraw/zinc/13/13/51/908131351.db2.gz FYDMYFSQXNWOMZ-NQIIRXRSSA-N 1 1 422.529 4.179 20 5 HIBDMO COc1cc(C[NH2+]Cc2cnn3ccccc23)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000512892410 921385993 /nfs/dbraw/zinc/38/59/93/921385993.db2.gz VTNUIESDSCIDFH-UHFFFAOYSA-N 1 1 418.453 4.120 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000513050148 921508001 /nfs/dbraw/zinc/50/80/01/921508001.db2.gz DJNHUFJNAAUZAC-UHFFFAOYSA-N 1 1 402.520 4.161 20 5 HIBDMO CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000500405867 909838096 /nfs/dbraw/zinc/83/80/96/909838096.db2.gz UGCCOOBFGVNERZ-UHFFFAOYSA-N 1 1 420.487 4.156 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000500704514 910033538 /nfs/dbraw/zinc/03/35/38/910033538.db2.gz YGEFPVSQFNHMRH-KDURUIRLSA-N 1 1 424.545 4.414 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000500844537 910118995 /nfs/dbraw/zinc/11/89/95/910118995.db2.gz SBCOHAUSMZAMCS-QAPCUYQASA-N 1 1 422.510 4.284 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000501024452 910243309 /nfs/dbraw/zinc/24/33/09/910243309.db2.gz BYTAGSBDDYSVJP-QFIPXVFZSA-N 1 1 404.470 4.153 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000501024452 910243323 /nfs/dbraw/zinc/24/33/23/910243323.db2.gz BYTAGSBDDYSVJP-QFIPXVFZSA-N 1 1 404.470 4.153 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513117239 921563676 /nfs/dbraw/zinc/56/36/76/921563676.db2.gz QVLUNLDBXOIZQF-OAQYLSRUSA-N 1 1 422.485 4.216 20 5 HIBDMO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501960731 910947395 /nfs/dbraw/zinc/94/73/95/910947395.db2.gz YQCUTHLLVYVWBI-VQIMIIECSA-N 1 1 406.486 4.374 20 5 HIBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502354429 911333225 /nfs/dbraw/zinc/33/32/25/911333225.db2.gz OKQZNCGOIAWOOX-NVXWUHKLSA-N 1 1 411.506 4.387 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000502377748 911364615 /nfs/dbraw/zinc/36/46/15/911364615.db2.gz QSZUSIKDNHHCSI-INIZCTEOSA-N 1 1 423.448 4.089 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000502377748 911364638 /nfs/dbraw/zinc/36/46/38/911364638.db2.gz QSZUSIKDNHHCSI-INIZCTEOSA-N 1 1 423.448 4.089 20 5 HIBDMO Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000502749972 911771028 /nfs/dbraw/zinc/77/10/28/911771028.db2.gz VKGCHAGNJMAWAL-UHFFFAOYSA-N 1 1 410.377 4.301 20 5 HIBDMO Cc1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000502927630 911913742 /nfs/dbraw/zinc/91/37/42/911913742.db2.gz DELDURCUHMPXKM-HNNXBMFYSA-N 1 1 416.441 4.371 20 5 HIBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502970099 911952328 /nfs/dbraw/zinc/95/23/28/911952328.db2.gz HKHCCJVKYQZNAQ-MRXNPFEDSA-N 1 1 413.474 4.091 20 5 HIBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1cc2ccccc2o1 ZINC000513380171 921753555 /nfs/dbraw/zinc/75/35/55/921753555.db2.gz CJFJFAKHQGVWLQ-CYBMUJFWSA-N 1 1 411.414 4.091 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1cc2ccccc2o1 ZINC000513380171 921753565 /nfs/dbraw/zinc/75/35/65/921753565.db2.gz CJFJFAKHQGVWLQ-CYBMUJFWSA-N 1 1 411.414 4.091 20 5 HIBDMO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000506617193 915273487 /nfs/dbraw/zinc/27/34/87/915273487.db2.gz OQJGHFJLNDURGV-UHFFFAOYSA-N 1 1 418.490 4.430 20 5 HIBDMO CCCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000506772456 915486263 /nfs/dbraw/zinc/48/62/63/915486263.db2.gz AKLWUWAKDHXGHS-KRWDZBQOSA-N 1 1 408.545 4.113 20 5 HIBDMO CCCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000506772456 915486270 /nfs/dbraw/zinc/48/62/70/915486270.db2.gz AKLWUWAKDHXGHS-KRWDZBQOSA-N 1 1 408.545 4.113 20 5 HIBDMO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513411184 921780028 /nfs/dbraw/zinc/78/00/28/921780028.db2.gz KRIQYPNAEMQRNS-MAUKXSAKSA-N 1 1 424.457 4.258 20 5 HIBDMO COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513411184 921780031 /nfs/dbraw/zinc/78/00/31/921780031.db2.gz KRIQYPNAEMQRNS-MAUKXSAKSA-N 1 1 424.457 4.258 20 5 HIBDMO CCOc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OC ZINC000507154073 915894659 /nfs/dbraw/zinc/89/46/59/915894659.db2.gz HCUKBNZNOPGJIW-UHFFFAOYSA-N 1 1 409.280 4.397 20 5 HIBDMO CCOc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OC ZINC000507154073 915894666 /nfs/dbraw/zinc/89/46/66/915894666.db2.gz HCUKBNZNOPGJIW-UHFFFAOYSA-N 1 1 409.280 4.397 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000507254797 916016204 /nfs/dbraw/zinc/01/62/04/916016204.db2.gz XEVRODLVMWGQMM-VXGBXAGGSA-N 1 1 424.270 4.483 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000509355346 918019506 /nfs/dbraw/zinc/01/95/06/918019506.db2.gz CHQBWPCQJSEBLN-GIZXNFQBSA-N 1 1 400.866 4.007 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509480922 918126698 /nfs/dbraw/zinc/12/66/98/918126698.db2.gz QYXSQXJQRBSNFB-UHFFFAOYSA-N 1 1 415.877 4.375 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000509486148 918132294 /nfs/dbraw/zinc/13/22/94/918132294.db2.gz WODPWBNYNRWXST-MRXNPFEDSA-N 1 1 416.547 4.023 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000509486148 918132300 /nfs/dbraw/zinc/13/23/00/918132300.db2.gz WODPWBNYNRWXST-MRXNPFEDSA-N 1 1 416.547 4.023 20 5 HIBDMO C[C@H](NC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000509760711 918375353 /nfs/dbraw/zinc/37/53/53/918375353.db2.gz HGEQYOULUCZPEA-BJLQDIEVSA-N 1 1 410.518 4.256 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000510239409 918777533 /nfs/dbraw/zinc/77/75/33/918777533.db2.gz BOTIXIDBRLOGQB-SJLPKXTDSA-N 1 1 406.486 4.107 20 5 HIBDMO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CCO1 ZINC000510551522 918997151 /nfs/dbraw/zinc/99/71/51/918997151.db2.gz JAPDMYAHFYPIRF-HNNXBMFYSA-N 1 1 419.909 4.193 20 5 HIBDMO C[C@H]1C[N@H+](C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CCO1 ZINC000510551522 918997159 /nfs/dbraw/zinc/99/71/59/918997159.db2.gz JAPDMYAHFYPIRF-HNNXBMFYSA-N 1 1 419.909 4.193 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4CCC[C@@H]43)o2)c(Br)c1 ZINC000510692253 919130391 /nfs/dbraw/zinc/13/03/91/919130391.db2.gz AKIXJCHEHCCJQD-FUHWJXTLSA-N 1 1 407.264 4.371 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4CCC[C@@H]43)o2)c(Br)c1 ZINC000510692253 919130400 /nfs/dbraw/zinc/13/04/00/919130400.db2.gz AKIXJCHEHCCJQD-FUHWJXTLSA-N 1 1 407.264 4.371 20 5 HIBDMO C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510923340 919441182 /nfs/dbraw/zinc/44/11/82/919441182.db2.gz RRVRFQXHGLEOQD-GDBMZVCRSA-N 1 1 414.531 4.101 20 5 HIBDMO O=C(C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000511375966 919975852 /nfs/dbraw/zinc/97/58/52/919975852.db2.gz DYDNNFJQGUKXDR-IBGZPJMESA-N 1 1 410.861 4.155 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCN(c3nccs3)CC2)s1 ZINC000511747884 920426436 /nfs/dbraw/zinc/42/64/36/920426436.db2.gz CVHGULPUCHUKOP-UHFFFAOYSA-N 1 1 400.529 4.492 20 5 HIBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000511802087 920496303 /nfs/dbraw/zinc/49/63/03/920496303.db2.gz OPIXIPUPMBEEKN-FCHUYYIVSA-N 1 1 419.456 4.132 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511852006 920574826 /nfs/dbraw/zinc/57/48/26/920574826.db2.gz NQZKLUXZTPTVAZ-UHFFFAOYSA-N 1 1 419.481 4.165 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513702168 922021654 /nfs/dbraw/zinc/02/16/54/922021654.db2.gz FKQUGWJPJULAPV-GOSISDBHSA-N 1 1 420.391 4.149 20 5 HIBDMO O=C1CCCN1C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000513729426 922049457 /nfs/dbraw/zinc/04/94/57/922049457.db2.gz PMNKZEKMVKFKCU-UHFFFAOYSA-N 1 1 413.449 4.113 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000515784720 923348072 /nfs/dbraw/zinc/34/80/72/923348072.db2.gz UQTODLSPGMIKQD-UHFFFAOYSA-N 1 1 422.407 4.400 20 5 HIBDMO COC1CC[NH+](C2(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCCC2)CC1 ZINC000518286708 927146101 /nfs/dbraw/zinc/14/61/01/927146101.db2.gz KHYZUWFMFOLQSX-UHFFFAOYSA-N 1 1 413.518 4.368 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518358640 927219453 /nfs/dbraw/zinc/21/94/53/927219453.db2.gz CGBYUNCHXPPTJJ-INIZCTEOSA-N 1 1 403.866 4.255 20 5 HIBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000518838411 927537977 /nfs/dbraw/zinc/53/79/77/927537977.db2.gz SPJRYFMQMXKJLE-MRXNPFEDSA-N 1 1 408.882 4.258 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1SC ZINC000518868217 927577873 /nfs/dbraw/zinc/57/78/73/927577873.db2.gz WORVOOKPBWSVFR-INIZCTEOSA-N 1 1 421.563 4.100 20 5 HIBDMO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520330845 928494408 /nfs/dbraw/zinc/49/44/08/928494408.db2.gz JYXCHCWOWXOVJJ-HNNXBMFYSA-N 1 1 405.401 4.047 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000520686063 928734397 /nfs/dbraw/zinc/73/43/97/928734397.db2.gz YNKVBSDKSJCPIK-KRWDZBQOSA-N 1 1 419.485 4.407 20 5 HIBDMO O=[N+]([O-])c1ccc2sc(-c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)cc2c1 ZINC000521048304 928959362 /nfs/dbraw/zinc/95/93/62/928959362.db2.gz QVWVEMKGMJSCIB-UHFFFAOYSA-N 1 1 422.466 4.359 20 5 HIBDMO C[C@@H](CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000521823134 929479810 /nfs/dbraw/zinc/47/98/10/929479810.db2.gz JFMOLZGBEFQOIE-IBGZPJMESA-N 1 1 419.529 4.269 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)s1 ZINC000521937096 929575319 /nfs/dbraw/zinc/57/53/19/929575319.db2.gz RUIFSSOVDKBPQO-OAHLLOKOSA-N 1 1 412.515 4.040 20 5 HIBDMO C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@H+]1C ZINC000525195141 930083162 /nfs/dbraw/zinc/08/31/62/930083162.db2.gz XSHOQUNHGZOBKB-STQMWFEESA-N 1 1 408.296 4.190 20 5 HIBDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCN1C ZINC000525195141 930083166 /nfs/dbraw/zinc/08/31/66/930083166.db2.gz XSHOQUNHGZOBKB-STQMWFEESA-N 1 1 408.296 4.190 20 5 HIBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000525638230 930376985 /nfs/dbraw/zinc/37/69/85/930376985.db2.gz YSVHIORDVGUNOO-MSOLQXFVSA-N 1 1 400.479 4.205 20 5 HIBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000525638230 930376992 /nfs/dbraw/zinc/37/69/92/930376992.db2.gz YSVHIORDVGUNOO-MSOLQXFVSA-N 1 1 400.479 4.205 20 5 HIBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000530852608 930840899 /nfs/dbraw/zinc/84/08/99/930840899.db2.gz GXPPRQVZEDBEAQ-DEOSSOPVSA-N 1 1 418.497 4.204 20 5 HIBDMO COc1cccc(C([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c2cccc(OC)c2)c1 ZINC000531121613 930931796 /nfs/dbraw/zinc/93/17/96/930931796.db2.gz YQPYFFNHVBWMPG-UHFFFAOYSA-N 1 1 408.454 4.500 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OCC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000532969938 931719965 /nfs/dbraw/zinc/71/99/65/931719965.db2.gz LVJZCRBKRGGKIE-KRWDZBQOSA-N 1 1 403.523 4.292 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000533303488 931833548 /nfs/dbraw/zinc/83/35/48/931833548.db2.gz ZCAGUWAFRNRENG-HNNXBMFYSA-N 1 1 403.866 4.075 20 5 HIBDMO COc1cc(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])cc1OC(F)F ZINC000533385974 931854542 /nfs/dbraw/zinc/85/45/42/931854542.db2.gz DSEPZTIAQRVLIG-CYBMUJFWSA-N 1 1 413.446 4.479 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])cc1OC(F)F ZINC000533385974 931854544 /nfs/dbraw/zinc/85/45/44/931854544.db2.gz DSEPZTIAQRVLIG-CYBMUJFWSA-N 1 1 413.446 4.479 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000533480431 931879995 /nfs/dbraw/zinc/87/99/95/931879995.db2.gz YVRIBPMNNSEZKA-UHFFFAOYSA-N 1 1 403.523 4.043 20 5 HIBDMO CN(C(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000533826532 932048166 /nfs/dbraw/zinc/04/81/66/932048166.db2.gz YMGRESRPRRWJSN-UHFFFAOYSA-N 1 1 416.481 4.284 20 5 HIBDMO CN(C(=O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000533826532 932048172 /nfs/dbraw/zinc/04/81/72/932048172.db2.gz YMGRESRPRRWJSN-UHFFFAOYSA-N 1 1 416.481 4.284 20 5 HIBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534842745 932803448 /nfs/dbraw/zinc/80/34/48/932803448.db2.gz KUUNLXOLSUJREA-HNNXBMFYSA-N 1 1 401.463 4.194 20 5 HIBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534842745 932803449 /nfs/dbraw/zinc/80/34/49/932803449.db2.gz KUUNLXOLSUJREA-HNNXBMFYSA-N 1 1 401.463 4.194 20 5 HIBDMO Cc1ccc2oc(C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)Cc3ccco3)cc2c1 ZINC000534872529 932817150 /nfs/dbraw/zinc/81/71/50/932817150.db2.gz QLSDJPSLLHYUJS-UHFFFAOYSA-N 1 1 407.426 4.107 20 5 HIBDMO Cc1ccc2oc(C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)Cc3ccco3)cc2c1 ZINC000534872529 932817153 /nfs/dbraw/zinc/81/71/53/932817153.db2.gz QLSDJPSLLHYUJS-UHFFFAOYSA-N 1 1 407.426 4.107 20 5 HIBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)nc2c1 ZINC000534951363 932854777 /nfs/dbraw/zinc/85/47/77/932854777.db2.gz BEONOWMLYZCFCT-INIZCTEOSA-N 1 1 418.457 4.209 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)[nH]c2c1 ZINC000534951363 932854778 /nfs/dbraw/zinc/85/47/78/932854778.db2.gz BEONOWMLYZCFCT-INIZCTEOSA-N 1 1 418.457 4.209 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)[nH]c2c1 ZINC000534951363 932854781 /nfs/dbraw/zinc/85/47/81/932854781.db2.gz BEONOWMLYZCFCT-INIZCTEOSA-N 1 1 418.457 4.209 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000535397833 933115111 /nfs/dbraw/zinc/11/51/11/933115111.db2.gz PEHXEVHVZMVUOE-YLJYHZDGSA-N 1 1 420.513 4.130 20 5 HIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000535488377 933177125 /nfs/dbraw/zinc/17/71/25/933177125.db2.gz AYBFHRFVCSLZLA-UHFFFAOYSA-N 1 1 407.474 4.327 20 5 HIBDMO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000535554599 933239930 /nfs/dbraw/zinc/23/99/30/933239930.db2.gz YCONKUWPHVBLMP-LJQANCHMSA-N 1 1 406.486 4.204 20 5 HIBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673414 933321664 /nfs/dbraw/zinc/32/16/64/933321664.db2.gz XTNUHYOUSCKNNN-HNAYVOBHSA-N 1 1 405.857 4.119 20 5 HIBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000535803408 933399462 /nfs/dbraw/zinc/39/94/62/933399462.db2.gz NCJHAKQGESCNAK-QGZVFWFLSA-N 1 1 417.893 4.341 20 5 HIBDMO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000536025778 933575989 /nfs/dbraw/zinc/57/59/89/933575989.db2.gz APWZLDQXZSPWLH-LJQANCHMSA-N 1 1 417.853 4.031 20 5 HIBDMO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000536025774 933576394 /nfs/dbraw/zinc/57/63/94/933576394.db2.gz APWZLDQXZSPWLH-IBGZPJMESA-N 1 1 417.853 4.031 20 5 HIBDMO COC1CC[NH+](C(C)(C)CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000537314852 933713238 /nfs/dbraw/zinc/71/32/38/933713238.db2.gz PJTBBPRCGAWYFH-UHFFFAOYSA-N 1 1 421.925 4.487 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000562854256 945127176 /nfs/dbraw/zinc/12/71/76/945127176.db2.gz CJXPNLXFEYETLY-HXUWFJFHSA-N 1 1 419.510 4.374 20 5 HIBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 ZINC000537615726 938334137 /nfs/dbraw/zinc/33/41/37/938334137.db2.gz NVCZYFMZVTXIHQ-NRFANRHFSA-N 1 1 415.877 4.143 20 5 HIBDMO Cc1nsc(N2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000537618902 938335303 /nfs/dbraw/zinc/33/53/03/938335303.db2.gz PKEYGMKWKNEINZ-UHFFFAOYSA-N 1 1 415.544 4.196 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000537689136 938355451 /nfs/dbraw/zinc/35/54/51/938355451.db2.gz HBXCTDJFSQWEKJ-XXBNENTESA-N 1 1 418.497 4.448 20 5 HIBDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537698560 938358423 /nfs/dbraw/zinc/35/84/23/938358423.db2.gz WXYIZOIBNWQZEU-XPGWFJOJSA-N 1 1 401.532 4.007 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000538271558 938580374 /nfs/dbraw/zinc/58/03/74/938580374.db2.gz RIOGMERRHOXTNZ-FUHWJXTLSA-N 1 1 413.543 4.488 20 5 HIBDMO CCOc1ccc([C@H](C)Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1[N+](=O)[O-] ZINC000538534150 938643425 /nfs/dbraw/zinc/64/34/25/938643425.db2.gz BLTJNHYESNEHPH-SFHVURJKSA-N 1 1 412.534 4.304 20 5 HIBDMO COc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716849 938688954 /nfs/dbraw/zinc/68/89/54/938688954.db2.gz GENYNJFXKYEMJO-UTKZUKDTSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716849 938688957 /nfs/dbraw/zinc/68/89/57/938688957.db2.gz GENYNJFXKYEMJO-UTKZUKDTSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716849 938688961 /nfs/dbraw/zinc/68/89/61/938688961.db2.gz GENYNJFXKYEMJO-UTKZUKDTSA-N 1 1 413.518 4.097 20 5 HIBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538721504 938690916 /nfs/dbraw/zinc/69/09/16/938690916.db2.gz NZPNYMHWXFRANW-QGZVFWFLSA-N 1 1 404.438 4.011 20 5 HIBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000538722187 938691580 /nfs/dbraw/zinc/69/15/80/938691580.db2.gz AYXXOFNPOOLHMR-HNNXBMFYSA-N 1 1 403.866 4.128 20 5 HIBDMO COc1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538750459 938701272 /nfs/dbraw/zinc/70/12/72/938701272.db2.gz CPDMCVHPNSEJQM-CXAGYDPISA-N 1 1 420.453 4.405 20 5 HIBDMO COc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538750459 938701274 /nfs/dbraw/zinc/70/12/74/938701274.db2.gz CPDMCVHPNSEJQM-CXAGYDPISA-N 1 1 420.453 4.405 20 5 HIBDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538796169 938713951 /nfs/dbraw/zinc/71/39/51/938713951.db2.gz SXSRJHTUQAXQAP-HOJAQTOUSA-N 1 1 401.532 4.007 20 5 HIBDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538796171 938714343 /nfs/dbraw/zinc/71/43/43/938714343.db2.gz SXSRJHTUQAXQAP-RLLQIKCJSA-N 1 1 401.532 4.007 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539253568 938827220 /nfs/dbraw/zinc/82/72/20/938827220.db2.gz UWDLFSXJRUUCTM-UONOGXRCSA-N 1 1 421.457 4.405 20 5 HIBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539826269 938948365 /nfs/dbraw/zinc/94/83/65/938948365.db2.gz FDCABJIYMUTGFC-FQEVSTJZSA-N 1 1 414.502 4.431 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000539831336 938951005 /nfs/dbraw/zinc/95/10/05/938951005.db2.gz KNJJIXMECDLFTK-HOCLYGCPSA-N 1 1 404.772 4.396 20 5 HIBDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000539832560 938952001 /nfs/dbraw/zinc/95/20/01/938952001.db2.gz ULQPNDGTEQDXTI-OAHLLOKOSA-N 1 1 420.428 4.326 20 5 HIBDMO CC(C)(O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCOCC1 ZINC000539836718 938953325 /nfs/dbraw/zinc/95/33/25/938953325.db2.gz AWBHIPXKYNQCFE-UHFFFAOYSA-N 1 1 408.882 4.260 20 5 HIBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@@H]2C1 ZINC000539901126 938973846 /nfs/dbraw/zinc/97/38/46/938973846.db2.gz OYUGAMXFVQJTPJ-DJKXOVBDSA-N 1 1 406.866 4.277 20 5 HIBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@@H]2C1 ZINC000539901126 938973851 /nfs/dbraw/zinc/97/38/51/938973851.db2.gz OYUGAMXFVQJTPJ-DJKXOVBDSA-N 1 1 406.866 4.277 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000540014309 939039679 /nfs/dbraw/zinc/03/96/79/939039679.db2.gz WQCACAKUKOMYMR-KRWDZBQOSA-N 1 1 402.539 4.199 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000540376677 939217378 /nfs/dbraw/zinc/21/73/78/939217378.db2.gz QPAOJQKUZZZAKU-KDOFPFPSSA-N 1 1 424.482 4.278 20 5 HIBDMO COCC(=O)Nc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000540915063 939416751 /nfs/dbraw/zinc/41/67/51/939416751.db2.gz APBCSSKKXDJLPX-QHCPKHFHSA-N 1 1 405.454 4.059 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1OC ZINC000541056289 939444560 /nfs/dbraw/zinc/44/45/60/939444560.db2.gz HMMITGYICDSYBO-BZSNNMDCSA-N 1 1 406.523 4.277 20 5 HIBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541297853 939489938 /nfs/dbraw/zinc/48/99/38/939489938.db2.gz NTAHXFLAMPCHPA-UHFFFAOYSA-N 1 1 422.312 4.225 20 5 HIBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000541397370 939504849 /nfs/dbraw/zinc/50/48/49/939504849.db2.gz CUBOPKCQHADWHO-UHFFFAOYSA-N 1 1 407.923 4.108 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]C[C@@H](O)COc2cccc(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547498 939551076 /nfs/dbraw/zinc/55/10/76/939551076.db2.gz YKKXOQNGYMNBIU-XXBNENTESA-N 1 1 410.470 4.178 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@H+]1C ZINC000541584230 939560280 /nfs/dbraw/zinc/56/02/80/939560280.db2.gz ZWLREAZPRWPOMS-RDJZCZTQSA-N 1 1 405.564 4.432 20 5 HIBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541597446 939563482 /nfs/dbraw/zinc/56/34/82/939563482.db2.gz DHZLWONNUQWEIM-XLIONFOSSA-N 1 1 417.575 4.433 20 5 HIBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541679640 939599061 /nfs/dbraw/zinc/59/90/61/939599061.db2.gz VMLGFNACVOYYNN-RTBURBONSA-N 1 1 403.548 4.234 20 5 HIBDMO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000542035500 939694624 /nfs/dbraw/zinc/69/46/24/939694624.db2.gz FUQOGVRBXDVKJV-QFBILLFUSA-N 1 1 412.490 4.293 20 5 HIBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2C1 ZINC000542199442 939753661 /nfs/dbraw/zinc/75/36/61/939753661.db2.gz FDRIBKCZNLDDMD-UHFFFAOYSA-N 1 1 414.409 4.089 20 5 HIBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2C1 ZINC000542199442 939753664 /nfs/dbraw/zinc/75/36/64/939753664.db2.gz FDRIBKCZNLDDMD-UHFFFAOYSA-N 1 1 414.409 4.089 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000542498906 939833225 /nfs/dbraw/zinc/83/32/25/939833225.db2.gz LXGKKNOGUNVDED-MRXNPFEDSA-N 1 1 407.264 4.369 20 5 HIBDMO COc1cc(C[N@@H+](C)CCc2ccncc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542692340 939854578 /nfs/dbraw/zinc/85/45/78/939854578.db2.gz HTIPGTAXNCDCRQ-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543392832 940049773 /nfs/dbraw/zinc/04/97/73/940049773.db2.gz CNQNRCPLXVMJQK-NSHDSACASA-N 1 1 419.425 4.237 20 5 HIBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000543394021 940050465 /nfs/dbraw/zinc/05/04/65/940050465.db2.gz MCJRTAKWHAVIBO-UHFFFAOYSA-N 1 1 415.465 4.405 20 5 HIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560976 940109482 /nfs/dbraw/zinc/10/94/82/940109482.db2.gz ROYHAHAFTDGCMB-RTBURBONSA-N 1 1 412.421 4.136 20 5 HIBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000544118260 940331054 /nfs/dbraw/zinc/33/10/54/940331054.db2.gz SRHGKLPPJSWXLL-FOIQADDNSA-N 1 1 413.474 4.024 20 5 HIBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)c21 ZINC000544394722 940410752 /nfs/dbraw/zinc/41/07/52/940410752.db2.gz RAMSRVBISQCEHK-QUCCMNQESA-N 1 1 403.486 4.029 20 5 HIBDMO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544463313 940441562 /nfs/dbraw/zinc/44/15/62/940441562.db2.gz FVPXDMBTLUHTPF-HNNXBMFYSA-N 1 1 419.884 4.225 20 5 HIBDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544463313 940441566 /nfs/dbraw/zinc/44/15/66/940441566.db2.gz FVPXDMBTLUHTPF-HNNXBMFYSA-N 1 1 419.884 4.225 20 5 HIBDMO C[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544557950 940478262 /nfs/dbraw/zinc/47/82/62/940478262.db2.gz KOCGBHLADBPDHA-SJORKVTESA-N 1 1 405.514 4.341 20 5 HIBDMO Cc1c(Cc2noc(-c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cccc1[N+](=O)[O-] ZINC000545781370 940588861 /nfs/dbraw/zinc/58/88/61/940588861.db2.gz QVKAIMNKIUAQAK-IYBDPMFKSA-N 1 1 422.485 4.153 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)cs2)c1 ZINC000546268272 940753388 /nfs/dbraw/zinc/75/33/88/940753388.db2.gz RSBUOPYKYGIALK-OAQYLSRUSA-N 1 1 409.511 4.491 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)cs2)c1 ZINC000546268272 940753395 /nfs/dbraw/zinc/75/33/95/940753395.db2.gz RSBUOPYKYGIALK-OAQYLSRUSA-N 1 1 409.511 4.491 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000546534544 940846363 /nfs/dbraw/zinc/84/63/63/940846363.db2.gz VTBCNTYQUFLBLU-SJLPKXTDSA-N 1 1 413.493 4.181 20 5 HIBDMO CC[N@@H+](Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1)C(C)C ZINC000547172224 941020284 /nfs/dbraw/zinc/02/02/84/941020284.db2.gz KLEYOHFJMNKCSQ-UHFFFAOYSA-N 1 1 410.474 4.475 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547245182 941042246 /nfs/dbraw/zinc/04/22/46/941042246.db2.gz GTYGYDDCYQMRPB-HRAATJIYSA-N 1 1 413.493 4.038 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547289472 941052884 /nfs/dbraw/zinc/05/28/84/941052884.db2.gz PNNNRRZNAWCWBC-UHFFFAOYSA-N 1 1 401.482 4.168 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1 ZINC000549007788 941142442 /nfs/dbraw/zinc/14/24/42/941142442.db2.gz UKUNUSSKZOKXAS-UHFFFAOYSA-N 1 1 422.279 4.070 20 5 HIBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549338035 941181027 /nfs/dbraw/zinc/18/10/27/941181027.db2.gz NOADCBJRKWYLJP-CYBMUJFWSA-N 1 1 405.380 4.387 20 5 HIBDMO CC1(C)SC[C@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000549555610 941199181 /nfs/dbraw/zinc/19/91/81/941199181.db2.gz FLIQSDGNVSZMHH-SJORKVTESA-N 1 1 405.907 4.412 20 5 HIBDMO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@](C)(C(F)(F)F)O1 ZINC000550252338 941303969 /nfs/dbraw/zinc/30/39/69/941303969.db2.gz WYEIVIDOELXRKV-SFHVURJKSA-N 1 1 413.396 4.224 20 5 HIBDMO CC1(C)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@](C)(C(F)(F)F)O1 ZINC000550252338 941303976 /nfs/dbraw/zinc/30/39/76/941303976.db2.gz WYEIVIDOELXRKV-SFHVURJKSA-N 1 1 413.396 4.224 20 5 HIBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000551259525 941437389 /nfs/dbraw/zinc/43/73/89/941437389.db2.gz QICRHWUHLMFDIX-KGLIPLIRSA-N 1 1 424.339 4.049 20 5 HIBDMO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000551556848 941501175 /nfs/dbraw/zinc/50/11/75/941501175.db2.gz YTINZMYWXRQCRN-GFCCVEGCSA-N 1 1 407.264 4.303 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000551822266 941553613 /nfs/dbraw/zinc/55/36/13/941553613.db2.gz BBJPDPCRBWKZJM-OTRAAIJSSA-N 1 1 422.529 4.276 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000552146385 941593649 /nfs/dbraw/zinc/59/36/49/941593649.db2.gz CYVMVZZWSZJUGC-GOSISDBHSA-N 1 1 406.486 4.042 20 5 HIBDMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000553212732 941850060 /nfs/dbraw/zinc/85/00/60/941850060.db2.gz UUFRISVLILUHBF-GOSISDBHSA-N 1 1 405.410 4.195 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000553415421 941881138 /nfs/dbraw/zinc/88/11/38/941881138.db2.gz ITBYDHGYWDQHSA-UHFFFAOYSA-N 1 1 409.471 4.437 20 5 HIBDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000554181045 942059921 /nfs/dbraw/zinc/05/99/21/942059921.db2.gz LBWDLSAKOUVKBO-UHFFFAOYSA-N 1 1 424.270 4.347 20 5 HIBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000554181045 942059927 /nfs/dbraw/zinc/05/99/27/942059927.db2.gz LBWDLSAKOUVKBO-UHFFFAOYSA-N 1 1 424.270 4.347 20 5 HIBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(-c2ccccc2Br)o1 ZINC000554847505 942285565 /nfs/dbraw/zinc/28/55/65/942285565.db2.gz WITZMRSKOLHVFU-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(-c2ccccc2Br)o1 ZINC000554847505 942285572 /nfs/dbraw/zinc/28/55/72/942285572.db2.gz WITZMRSKOLHVFU-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556886597 942951094 /nfs/dbraw/zinc/95/10/94/942951094.db2.gz WZZPAERILZCAHZ-UGKGYDQZSA-N 1 1 423.492 4.124 20 5 HIBDMO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000557039057 943001614 /nfs/dbraw/zinc/00/16/14/943001614.db2.gz UQASVWHTPXQKGL-SCLBCKFNSA-N 1 1 407.392 4.006 20 5 HIBDMO CC(C)(C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccccc1[N+](=O)[O-] ZINC000557483451 943159096 /nfs/dbraw/zinc/15/90/96/943159096.db2.gz MJODSCUSQUHPGM-UHFFFAOYSA-N 1 1 416.481 4.469 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000558034317 943362297 /nfs/dbraw/zinc/36/22/97/943362297.db2.gz WBJQJTUEBXUETQ-JOCHJYFZSA-N 1 1 411.527 4.222 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(I)c2)c(Cl)c1 ZINC000560082653 944151757 /nfs/dbraw/zinc/15/17/57/944151757.db2.gz VDGZMTYZKGLVMO-UHFFFAOYSA-N 1 1 402.619 4.143 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000561396531 944578321 /nfs/dbraw/zinc/57/83/21/944578321.db2.gz OKCLMDOSNZUAQJ-QHCPKHFHSA-N 1 1 410.445 4.421 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000566808959 946102681 /nfs/dbraw/zinc/10/26/81/946102681.db2.gz JAHFDDWMKKSTRS-NRFANRHFSA-N 1 1 411.502 4.024 20 5 HIBDMO C[N@@H+](CCCn1ccnc1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000567547412 946372306 /nfs/dbraw/zinc/37/23/06/946372306.db2.gz RCGUHMDYTJYEBM-UHFFFAOYSA-N 1 1 419.279 4.336 20 5 HIBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000569291453 946852712 /nfs/dbraw/zinc/85/27/12/946852712.db2.gz DKPULXORURRUMD-STQMWFEESA-N 1 1 409.280 4.210 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)s2)cc1 ZINC000570485284 947264917 /nfs/dbraw/zinc/26/49/17/947264917.db2.gz VIUQLGRYYGVEAA-XJKSGUPXSA-N 1 1 400.422 4.316 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000574460572 948448725 /nfs/dbraw/zinc/44/87/25/948448725.db2.gz XXGSWMJWPYPBHD-QHCPKHFHSA-N 1 1 405.454 4.262 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1 ZINC001164629059 719096449 /nfs/dbraw/zinc/09/64/49/719096449.db2.gz QPUUKHWHGQFKBL-OFNKIYASSA-N 1 1 415.497 4.153 20 5 HIBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)ccc21 ZINC001164722523 720399032 /nfs/dbraw/zinc/39/90/32/720399032.db2.gz DDIFCVWQTLNANX-RBUKOAKNSA-N 1 1 409.877 4.045 20 5 HIBDMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc2ccc([N+](=O)[O-])cc12 ZINC001164857934 720941944 /nfs/dbraw/zinc/94/19/44/720941944.db2.gz IGXRYXJPLHMBEJ-MRXNPFEDSA-N 1 1 408.506 4.069 20 5 HIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164792232 721494270 /nfs/dbraw/zinc/49/42/70/721494270.db2.gz KXWQTMBCDFNHFM-UHFFFAOYSA-N 1 1 417.513 4.419 20 5 HIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164794677 721503575 /nfs/dbraw/zinc/50/35/75/721503575.db2.gz CPLUGZCNHTXMSJ-UHFFFAOYSA-N 1 1 417.513 4.419 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436011110 861303623 /nfs/dbraw/zinc/30/36/23/861303623.db2.gz NURCUXQWIJUQOQ-HDICACEKSA-N 1 1 405.542 4.169 20 5 HIBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436099105 861382797 /nfs/dbraw/zinc/38/27/97/861382797.db2.gz LHXMLSYTUSHHNQ-INIZCTEOSA-N 1 1 409.505 4.062 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436110803 861395510 /nfs/dbraw/zinc/39/55/10/861395510.db2.gz NPDZIMCNPBRAQB-INIZCTEOSA-N 1 1 409.505 4.205 20 5 HIBDMO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000010351661 845649405 /nfs/dbraw/zinc/64/94/05/845649405.db2.gz HKQJZWDCSQUUQP-ZHRRBRCNSA-N 1 1 405.454 4.310 20 5 HIBDMO CC[NH+](CC)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000436307013 861611235 /nfs/dbraw/zinc/61/12/35/861611235.db2.gz MCFCGIDKMLURTQ-OAQYLSRUSA-N 1 1 403.482 4.087 20 5 HIBDMO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000436316489 861620316 /nfs/dbraw/zinc/62/03/16/861620316.db2.gz XCKYDPYTWMHGFJ-UHFFFAOYSA-N 1 1 403.526 4.019 20 5 HIBDMO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000032730214 848069666 /nfs/dbraw/zinc/06/96/66/848069666.db2.gz TZXDWIYOKZYVBE-ROUUACIJSA-N 1 1 410.518 4.200 20 5 HIBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000039564073 848190591 /nfs/dbraw/zinc/19/05/91/848190591.db2.gz PAAGBNDVBZOMAY-GOSISDBHSA-N 1 1 416.566 4.024 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000042132514 848291087 /nfs/dbraw/zinc/29/10/87/848291087.db2.gz OSXSQVIVLVVSQU-CVEARBPZSA-N 1 1 408.458 4.251 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000042132514 848291097 /nfs/dbraw/zinc/29/10/97/848291097.db2.gz OSXSQVIVLVVSQU-CVEARBPZSA-N 1 1 408.458 4.251 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000045779072 848726815 /nfs/dbraw/zinc/72/68/15/848726815.db2.gz MTJAGRDNOIMJNC-GOSISDBHSA-N 1 1 410.518 4.311 20 5 HIBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1cccc(OC)c1 ZINC000052706043 849616325 /nfs/dbraw/zinc/61/63/25/849616325.db2.gz LZAAYXPHVGZEIU-OAHLLOKOSA-N 1 1 401.463 4.024 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000052847956 849633358 /nfs/dbraw/zinc/63/33/58/849633358.db2.gz VEGAFAXDXBVPQD-UHFFFAOYSA-N 1 1 412.309 4.188 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053112583 849668584 /nfs/dbraw/zinc/66/85/84/849668584.db2.gz OJOPWRONOLKJCZ-UHFFFAOYSA-N 1 1 411.380 4.083 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000053278768 849689145 /nfs/dbraw/zinc/68/91/45/849689145.db2.gz JOYFLELPYLYIAZ-SFHVURJKSA-N 1 1 403.866 4.423 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000053417327 849706343 /nfs/dbraw/zinc/70/63/43/849706343.db2.gz YNJPQMWYMZCWDV-BGYRXZFFSA-N 1 1 419.569 4.029 20 5 HIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000054011668 849798061 /nfs/dbraw/zinc/79/80/61/849798061.db2.gz SFSAKJFQEMYFBG-UHFFFAOYSA-N 1 1 404.430 4.092 20 5 HIBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000058296110 850795163 /nfs/dbraw/zinc/79/51/63/850795163.db2.gz RQXSZNCQEDWBRU-IBGZPJMESA-N 1 1 416.566 4.216 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000058519581 850844283 /nfs/dbraw/zinc/84/42/83/850844283.db2.gz BHVUKMKKLVSUPY-MRXNPFEDSA-N 1 1 412.490 4.300 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000060269515 851056688 /nfs/dbraw/zinc/05/66/88/851056688.db2.gz YTIIMWJMOOOBEK-HXUWFJFHSA-N 1 1 415.465 4.052 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000060371676 851080874 /nfs/dbraw/zinc/08/08/74/851080874.db2.gz FQIGIQCSGGOAKX-SFHVURJKSA-N 1 1 411.355 4.127 20 5 HIBDMO CC1CCN(c2ccc(C(=O)N(C)CC[N@@H+](C)C3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000063771958 851759599 /nfs/dbraw/zinc/75/95/99/851759599.db2.gz PRBGBBWCXNVOCU-UHFFFAOYSA-N 1 1 416.566 4.168 20 5 HIBDMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000064918964 852021656 /nfs/dbraw/zinc/02/16/56/852021656.db2.gz JQSMFIKDGVAOBQ-GOSISDBHSA-N 1 1 420.494 4.343 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000064934743 852025253 /nfs/dbraw/zinc/02/52/53/852025253.db2.gz SBCOHAUSMZAMCS-YJBOKZPZSA-N 1 1 422.510 4.284 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000107553959 852775960 /nfs/dbraw/zinc/77/59/60/852775960.db2.gz MQRJYVQJMOCAGQ-GOSISDBHSA-N 1 1 410.518 4.088 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000110305053 853085397 /nfs/dbraw/zinc/08/53/97/853085397.db2.gz IOIOJNDRNIGPNS-UHFFFAOYSA-N 1 1 422.485 4.451 20 5 HIBDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000150214146 853640823 /nfs/dbraw/zinc/64/08/23/853640823.db2.gz DBSJJZGHAPAKNH-FQEVSTJZSA-N 1 1 413.474 4.086 20 5 HIBDMO CC[NH+](CC)[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000236851599 853929140 /nfs/dbraw/zinc/92/91/40/853929140.db2.gz PRCPVJVNZFIDMX-QFIPXVFZSA-N 1 1 407.518 4.168 20 5 HIBDMO CC[N@H+]1CCC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236933429 853939062 /nfs/dbraw/zinc/93/90/62/853939062.db2.gz IVTLRSGNTDNUEL-CQSZACIVSA-N 1 1 422.323 4.439 20 5 HIBDMO C[C@@H](CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000237421334 854029945 /nfs/dbraw/zinc/02/99/45/854029945.db2.gz JSZBYAXNVOSRNH-KRWDZBQOSA-N 1 1 405.502 4.020 20 5 HIBDMO C[C@@H](CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000237421334 854029953 /nfs/dbraw/zinc/02/99/53/854029953.db2.gz JSZBYAXNVOSRNH-KRWDZBQOSA-N 1 1 405.502 4.020 20 5 HIBDMO C[C@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000237555877 854054452 /nfs/dbraw/zinc/05/44/52/854054452.db2.gz CCKVWERURZHDGU-ZDUSSCGKSA-N 1 1 413.865 4.429 20 5 HIBDMO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NCc1ccccc1 ZINC000237570217 854056351 /nfs/dbraw/zinc/05/63/51/854056351.db2.gz JFLPSSSJLFNGNB-AWEZNQCLSA-N 1 1 413.861 4.303 20 5 HIBDMO O=C1CCCN1C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000237693103 854076945 /nfs/dbraw/zinc/07/69/45/854076945.db2.gz YTWQCSXCKSUGHH-GOSISDBHSA-N 1 1 407.392 4.067 20 5 HIBDMO Cn1cc(C[NH2+]Cc2ccc(F)cc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237932670 854121725 /nfs/dbraw/zinc/12/17/25/854121725.db2.gz AGJDFWQEJAXOAK-UHFFFAOYSA-N 1 1 419.254 4.187 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCC[N@H+]3Cc3ccccc3)cs2)c1 ZINC000238007290 854132589 /nfs/dbraw/zinc/13/25/89/854132589.db2.gz LBVDHDRGRXDEOA-NRFANRHFSA-N 1 1 408.527 4.473 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCN3Cc3ccccc3)cs2)c1 ZINC000238007290 854132596 /nfs/dbraw/zinc/13/25/96/854132596.db2.gz LBVDHDRGRXDEOA-NRFANRHFSA-N 1 1 408.527 4.473 20 5 HIBDMO COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1Cl ZINC000301365422 854371556 /nfs/dbraw/zinc/37/15/56/854371556.db2.gz RYRZUHRZGFYACC-UHFFFAOYSA-N 1 1 418.812 4.280 20 5 HIBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1Cc1ccccc1 ZINC000301509157 854409456 /nfs/dbraw/zinc/40/94/56/854409456.db2.gz ASASWUMNQBYCSW-UKRRQHHQSA-N 1 1 405.296 4.217 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301534359 854415317 /nfs/dbraw/zinc/41/53/17/854415317.db2.gz LDWFVPFOELIBSY-PXNSSMCTSA-N 1 1 410.518 4.198 20 5 HIBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)nc1 ZINC000302137459 854535258 /nfs/dbraw/zinc/53/52/58/854535258.db2.gz BTUNZVWQLSCALG-UHFFFAOYSA-N 1 1 415.906 4.089 20 5 HIBDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1F ZINC000302911910 854676420 /nfs/dbraw/zinc/67/64/20/854676420.db2.gz PDUXRQIHZJJAGO-SNVBAGLBSA-N 1 1 400.353 4.203 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000303439136 854938371 /nfs/dbraw/zinc/93/83/71/854938371.db2.gz FFOBOJKORDLNER-UHFFFAOYSA-N 1 1 411.502 4.161 20 5 HIBDMO O=C(C[N@H+](Cc1ccccc1)CC1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000303443712 854942596 /nfs/dbraw/zinc/94/25/96/854942596.db2.gz GHDZXJKMKCKYJV-UHFFFAOYSA-N 1 1 417.893 4.116 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303539582 855024546 /nfs/dbraw/zinc/02/45/46/855024546.db2.gz HPPAFGWVMVQIJK-INIZCTEOSA-N 1 1 422.407 4.318 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303737920 855162908 /nfs/dbraw/zinc/16/29/08/855162908.db2.gz HILGPDNOZIEOMK-QAPCUYQASA-N 1 1 401.894 4.373 20 5 HIBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000312003873 855371442 /nfs/dbraw/zinc/37/14/42/855371442.db2.gz VCQFTTVEMPGGIM-UHFFFAOYSA-N 1 1 418.335 4.454 20 5 HIBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000312003873 855371445 /nfs/dbraw/zinc/37/14/45/855371445.db2.gz VCQFTTVEMPGGIM-UHFFFAOYSA-N 1 1 418.335 4.454 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995117 856036765 /nfs/dbraw/zinc/03/67/65/856036765.db2.gz KBBXCZJZUWUIGF-YLJYHZDGSA-N 1 1 408.502 4.104 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995115 856036828 /nfs/dbraw/zinc/03/68/28/856036828.db2.gz KBBXCZJZUWUIGF-PXNSSMCTSA-N 1 1 408.502 4.104 20 5 HIBDMO CC[C@]1(CO)CCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462698 856303906 /nfs/dbraw/zinc/30/39/06/856303906.db2.gz RVMULIXCQXUCFP-GGAORHGYSA-N 1 1 411.502 4.068 20 5 HIBDMO CC[C@]1(CO)CCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462698 856303921 /nfs/dbraw/zinc/30/39/21/856303921.db2.gz RVMULIXCQXUCFP-GGAORHGYSA-N 1 1 411.502 4.068 20 5 HIBDMO CCCOc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000437608177 862923509 /nfs/dbraw/zinc/92/35/09/862923509.db2.gz UEQISNLFEUJBFM-HOTGVXAUSA-N 1 1 422.526 4.119 20 5 HIBDMO CCOC(=O)c1csc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OCC)CC2)n1 ZINC000429586637 857769938 /nfs/dbraw/zinc/76/99/38/857769938.db2.gz CJDRYYTWOZLXJW-UHFFFAOYSA-N 1 1 419.503 4.006 20 5 HIBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000430107299 858034347 /nfs/dbraw/zinc/03/43/47/858034347.db2.gz WNAZOOQSXDGZBU-HNNXBMFYSA-N 1 1 408.545 4.113 20 5 HIBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000430107299 858034353 /nfs/dbraw/zinc/03/43/53/858034353.db2.gz WNAZOOQSXDGZBU-HNNXBMFYSA-N 1 1 408.545 4.113 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000430666841 858258481 /nfs/dbraw/zinc/25/84/81/858258481.db2.gz ZQGUOCIMUMTXSC-YOEHRIQHSA-N 1 1 421.419 4.397 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H]4CCC[C@H]43)o2)c(Br)c1 ZINC000430861133 858340936 /nfs/dbraw/zinc/34/09/36/858340936.db2.gz AKIXJCHEHCCJQD-AEFFLSMTSA-N 1 1 407.264 4.371 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H]4CCC[C@H]43)o2)c(Br)c1 ZINC000430861133 858340945 /nfs/dbraw/zinc/34/09/45/858340945.db2.gz AKIXJCHEHCCJQD-AEFFLSMTSA-N 1 1 407.264 4.371 20 5 HIBDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)c1ccccc1 ZINC000430882972 858353667 /nfs/dbraw/zinc/35/36/67/858353667.db2.gz NXYWWVIWFTYSCX-GOSISDBHSA-N 1 1 405.454 4.340 20 5 HIBDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC000430883585 858353950 /nfs/dbraw/zinc/35/39/50/858353950.db2.gz RALRUNYDLIVGKJ-KRWDZBQOSA-N 1 1 405.454 4.340 20 5 HIBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000432920997 859431387 /nfs/dbraw/zinc/43/13/87/859431387.db2.gz XWQQZTNIZTVZEZ-UHFFFAOYSA-N 1 1 405.296 4.274 20 5 HIBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000433776900 859888346 /nfs/dbraw/zinc/88/83/46/859888346.db2.gz YJYPQLFQQIPBHE-UXHICEINSA-N 1 1 408.502 4.219 20 5 HIBDMO COc1ccc(C[NH+]2CCC(Nc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000435026264 860605078 /nfs/dbraw/zinc/60/50/78/860605078.db2.gz LXZSDEGWSCRILS-UHFFFAOYSA-N 1 1 420.307 4.442 20 5 HIBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000435128146 860653525 /nfs/dbraw/zinc/65/35/25/860653525.db2.gz CGJSIHZTDSYZPL-MJGOQNOKSA-N 1 1 410.474 4.478 20 5 HIBDMO COc1ccc(CSCC(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000467758546 881576852 /nfs/dbraw/zinc/57/68/52/881576852.db2.gz OIEJBWVWHMRZJD-UHFFFAOYSA-N 1 1 423.922 4.190 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998590 863360715 /nfs/dbraw/zinc/36/07/15/863360715.db2.gz JBSKRVGPGWMUQX-PXNSSMCTSA-N 1 1 408.502 4.104 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C1 ZINC000438348206 863818171 /nfs/dbraw/zinc/81/81/71/863818171.db2.gz WZINPGAAIYSIAM-UHFFFAOYSA-N 1 1 408.502 4.419 20 5 HIBDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083359 864532183 /nfs/dbraw/zinc/53/21/83/864532183.db2.gz CDMNXJAFVWBLBA-IIBYNOLFSA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083359 864532189 /nfs/dbraw/zinc/53/21/89/864532189.db2.gz CDMNXJAFVWBLBA-IIBYNOLFSA-N 1 1 411.506 4.063 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000439169054 864597993 /nfs/dbraw/zinc/59/79/93/864597993.db2.gz MCSHDYJIQWIPRS-FZKQIMNGSA-N 1 1 407.923 4.431 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000439169055 864598541 /nfs/dbraw/zinc/59/85/41/864598541.db2.gz MCSHDYJIQWIPRS-SCLBCKFNSA-N 1 1 407.923 4.431 20 5 HIBDMO CC[C@@](C)(O)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000439789357 865110440 /nfs/dbraw/zinc/11/04/40/865110440.db2.gz ZGXVDEDUFAGIBA-HSZRJFAPSA-N 1 1 408.502 4.159 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000439869681 865177470 /nfs/dbraw/zinc/17/74/70/865177470.db2.gz JYAWNBHOTLZTMO-KRWDZBQOSA-N 1 1 412.490 4.122 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000440532996 865807139 /nfs/dbraw/zinc/80/71/39/865807139.db2.gz AXWOTYMGFHSICQ-GOSISDBHSA-N 1 1 406.486 4.060 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000440532998 865807159 /nfs/dbraw/zinc/80/71/59/865807159.db2.gz AXWOTYMGFHSICQ-SFHVURJKSA-N 1 1 406.486 4.060 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000441328486 866398811 /nfs/dbraw/zinc/39/88/11/866398811.db2.gz ISBNMVUYKJACDE-DEOSSOPVSA-N 1 1 419.481 4.123 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000441328488 866399129 /nfs/dbraw/zinc/39/91/29/866399129.db2.gz ISBNMVUYKJACDE-XMMPIXPASA-N 1 1 419.481 4.123 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@]3(CO)CCOc4ccccc43)o2)c(Cl)c1 ZINC000441357834 866427218 /nfs/dbraw/zinc/42/72/18/866427218.db2.gz NDQSUCBZGMLCAY-NRFANRHFSA-N 1 1 414.845 4.268 20 5 HIBDMO CCCN(C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441450411 866526751 /nfs/dbraw/zinc/52/67/51/866526751.db2.gz REWASTHIRQIRTQ-QZTJIDSGSA-N 1 1 411.502 4.261 20 5 HIBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648540 868240317 /nfs/dbraw/zinc/24/03/17/868240317.db2.gz YYXDTGWLZJOVOC-KBPBESRZSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648540 868240343 /nfs/dbraw/zinc/24/03/43/868240343.db2.gz YYXDTGWLZJOVOC-KBPBESRZSA-N 1 1 412.421 4.082 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](c4[nH+]ccn4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000443965325 868497804 /nfs/dbraw/zinc/49/78/04/868497804.db2.gz RAONOJDNIGQFGJ-GOSISDBHSA-N 1 1 419.485 4.273 20 5 HIBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)sc2C1 ZINC000444305213 868736708 /nfs/dbraw/zinc/73/67/08/868736708.db2.gz SFUIKSXUPZEZMT-UHFFFAOYSA-N 1 1 418.522 4.157 20 5 HIBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)sc2C1 ZINC000444305213 868736733 /nfs/dbraw/zinc/73/67/33/868736733.db2.gz SFUIKSXUPZEZMT-UHFFFAOYSA-N 1 1 418.522 4.157 20 5 HIBDMO Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000444763320 868990699 /nfs/dbraw/zinc/99/06/99/868990699.db2.gz CVUQFFHDSRKIAQ-HNNXBMFYSA-N 1 1 408.458 4.251 20 5 HIBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445181153 869264103 /nfs/dbraw/zinc/26/41/03/869264103.db2.gz HAZXBIKGIJTHIK-QGZVFWFLSA-N 1 1 405.542 4.312 20 5 HIBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000445947169 869907718 /nfs/dbraw/zinc/90/77/18/869907718.db2.gz RNAFPMIOCSHYCP-XMMPIXPASA-N 1 1 407.514 4.042 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000446481111 870393271 /nfs/dbraw/zinc/39/32/71/870393271.db2.gz FVGFVOVCRVPHNY-UHFFFAOYSA-N 1 1 408.502 4.423 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000447670204 871601128 /nfs/dbraw/zinc/60/11/28/871601128.db2.gz ITKHZDZEKUQIEI-YPMHNXCESA-N 1 1 420.382 4.097 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000447689641 871623630 /nfs/dbraw/zinc/62/36/30/871623630.db2.gz RQXXQWIKXCYOSO-UHFFFAOYSA-N 1 1 420.469 4.320 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000468652799 882790232 /nfs/dbraw/zinc/79/02/32/882790232.db2.gz SKOFYKXHLWXTHH-ZAQQZEBGSA-N 1 1 409.530 4.488 20 5 HIBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000468692718 882816151 /nfs/dbraw/zinc/81/61/51/882816151.db2.gz FUYOYBQYFPHEED-HXUWFJFHSA-N 1 1 414.502 4.431 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C[C@H](C)O1 ZINC000462086214 875195159 /nfs/dbraw/zinc/19/51/59/875195159.db2.gz DZDXSASFPDZBBV-GASCZTMLSA-N 1 1 421.444 4.418 20 5 HIBDMO CCOc1cc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)c([N+](=O)[O-])cc1OC ZINC000462760416 875824577 /nfs/dbraw/zinc/82/45/77/875824577.db2.gz JGHUTKAXVGOANK-UHFFFAOYSA-N 1 1 410.430 4.057 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462921280 875950752 /nfs/dbraw/zinc/95/07/52/875950752.db2.gz DZWVTOSIXBAVAT-RBUKOAKNSA-N 1 1 415.559 4.253 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000463010903 876026826 /nfs/dbraw/zinc/02/68/26/876026826.db2.gz NHEQFLVDPGVSMQ-QFIPXVFZSA-N 1 1 414.469 4.091 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](n4cccn4)C3)o2)c(Br)c1 ZINC000463032276 876053143 /nfs/dbraw/zinc/05/31/43/876053143.db2.gz HRTZXCLTZVDZEY-AWEZNQCLSA-N 1 1 417.263 4.261 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000463035061 876056470 /nfs/dbraw/zinc/05/64/70/876056470.db2.gz FLVGBPWHQZBREF-UHFFFAOYSA-N 1 1 402.458 4.410 20 5 HIBDMO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000463058143 876086579 /nfs/dbraw/zinc/08/65/79/876086579.db2.gz YEVTXUCUPOIYDD-IBGZPJMESA-N 1 1 416.524 4.199 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463441112 876498970 /nfs/dbraw/zinc/49/89/70/876498970.db2.gz HXPFRIKWYZJFHJ-SBUREZEXSA-N 1 1 422.485 4.023 20 5 HIBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463448461 876508449 /nfs/dbraw/zinc/50/84/49/876508449.db2.gz DPNNFJUSZLLDGH-INIZCTEOSA-N 1 1 411.380 4.164 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000463473881 876534390 /nfs/dbraw/zinc/53/43/90/876534390.db2.gz YPPWKJPHIRKACU-MRXNPFEDSA-N 1 1 415.799 4.300 20 5 HIBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000464568337 877786539 /nfs/dbraw/zinc/78/65/39/877786539.db2.gz IKDNEVFZQGRGDV-LJQANCHMSA-N 1 1 410.518 4.011 20 5 HIBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000464677132 877894241 /nfs/dbraw/zinc/89/42/41/877894241.db2.gz LOMICPBOMILTQC-VQIMIIECSA-N 1 1 401.482 4.227 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464768058 878010759 /nfs/dbraw/zinc/01/07/59/878010759.db2.gz HKKGHNGCCUDAPX-INIZCTEOSA-N 1 1 415.515 4.046 20 5 HIBDMO Cc1ccc(CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2CCCO2)cc1 ZINC000464774095 878016123 /nfs/dbraw/zinc/01/61/23/878016123.db2.gz HYRNHNHBZBTYSI-OAQYLSRUSA-N 1 1 422.485 4.177 20 5 HIBDMO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464776792 878019944 /nfs/dbraw/zinc/01/99/44/878019944.db2.gz OPLWKLOFOPZYFM-MRXNPFEDSA-N 1 1 420.469 4.013 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)C1 ZINC000465181267 878569867 /nfs/dbraw/zinc/56/98/67/878569867.db2.gz CPYZQQQVCNKXLO-OAHLLOKOSA-N 1 1 408.458 4.049 20 5 HIBDMO Cc1ccc(Sc2ccc(C[NH+]3CCC(n4cncn4)CC3)cc2[N+](=O)[O-])cc1 ZINC000512370759 921111235 /nfs/dbraw/zinc/11/12/35/921111235.db2.gz WXTNOGXCSCAMJP-UHFFFAOYSA-N 1 1 409.515 4.483 20 5 HIBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000465634921 879149213 /nfs/dbraw/zinc/14/92/13/879149213.db2.gz NPCRYNKJUJTTIU-ZSZQSSIHSA-N 1 1 402.520 4.100 20 5 HIBDMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000465647567 879166929 /nfs/dbraw/zinc/16/69/29/879166929.db2.gz AJLHDOPKPWGFBB-QGZVFWFLSA-N 1 1 422.485 4.380 20 5 HIBDMO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000465647567 879166941 /nfs/dbraw/zinc/16/69/41/879166941.db2.gz AJLHDOPKPWGFBB-QGZVFWFLSA-N 1 1 422.485 4.380 20 5 HIBDMO C[NH+](C)CC1(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000466422438 880195170 /nfs/dbraw/zinc/19/51/70/880195170.db2.gz SYWYVQRJIHIDLK-UHFFFAOYSA-N 1 1 405.502 4.021 20 5 HIBDMO C[N@H+]1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000466784867 880563481 /nfs/dbraw/zinc/56/34/81/880563481.db2.gz ABAAIIQWXZXMRB-UHFFFAOYSA-N 1 1 405.907 4.177 20 5 HIBDMO C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000467027137 880826921 /nfs/dbraw/zinc/82/69/21/880826921.db2.gz UHJNVEWKXSWHME-NSHDSACASA-N 1 1 424.270 4.300 20 5 HIBDMO COc1ccc(C[N@@H+](C)CC[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467367273 881138125 /nfs/dbraw/zinc/13/81/25/881138125.db2.gz CGIFDWMVNCDBBJ-FQEVSTJZSA-N 1 1 400.475 4.183 20 5 HIBDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469355481 883477586 /nfs/dbraw/zinc/47/75/86/883477586.db2.gz ZAJQFPGWXXJTSC-NWDGAFQWSA-N 1 1 422.279 4.044 20 5 HIBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470171142 884450491 /nfs/dbraw/zinc/45/04/91/884450491.db2.gz GBJOFKIDVYMCNF-XBNGYDHASA-N 1 1 413.440 4.121 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178971 885742653 /nfs/dbraw/zinc/74/26/53/885742653.db2.gz UQMKRHXMKWMGEA-NQIIRXRSSA-N 1 1 419.485 4.186 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178971 885742665 /nfs/dbraw/zinc/74/26/65/885742665.db2.gz UQMKRHXMKWMGEA-NQIIRXRSSA-N 1 1 419.485 4.186 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC[N@H+]2C2CC2)c1 ZINC000471937586 886734401 /nfs/dbraw/zinc/73/44/01/886734401.db2.gz SUFHXOLWVWXCIK-UGKGYDQZSA-N 1 1 424.501 4.320 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000471990251 886816209 /nfs/dbraw/zinc/81/62/09/886816209.db2.gz WXOFLTCWGASRLH-VQIMIIECSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000471990251 886816212 /nfs/dbraw/zinc/81/62/12/886816212.db2.gz WXOFLTCWGASRLH-VQIMIIECSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000471990248 886816273 /nfs/dbraw/zinc/81/62/73/886816273.db2.gz WXOFLTCWGASRLH-APWZRJJASA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000471990248 886816274 /nfs/dbraw/zinc/81/62/74/886816274.db2.gz WXOFLTCWGASRLH-APWZRJJASA-N 1 1 402.882 4.432 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000472501917 887370757 /nfs/dbraw/zinc/37/07/57/887370757.db2.gz QHEJQPRGSVIIGE-BRLLKYFNSA-N 1 1 415.921 4.064 20 5 HIBDMO C[N@@H+](Cc1ccccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000472589882 887467283 /nfs/dbraw/zinc/46/72/83/887467283.db2.gz LGQVCJSECYEOLQ-UHFFFAOYSA-N 1 1 417.531 4.301 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472619960 887488084 /nfs/dbraw/zinc/48/80/84/887488084.db2.gz DWIDSXGBLAYXQD-HSZRJFAPSA-N 1 1 409.486 4.202 20 5 HIBDMO CCOc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473501330 888228019 /nfs/dbraw/zinc/22/80/19/888228019.db2.gz CEOXUTUQAPILMY-DEOSSOPVSA-N 1 1 423.513 4.122 20 5 HIBDMO CC(C)c1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000473691599 888466063 /nfs/dbraw/zinc/46/60/63/888466063.db2.gz NNKDNDCHFLYGSI-MRXNPFEDSA-N 1 1 401.532 4.422 20 5 HIBDMO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473945094 888821395 /nfs/dbraw/zinc/82/13/95/888821395.db2.gz MJMIISFKIKAFIZ-AVRDEDQJSA-N 1 1 410.518 4.004 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000474362699 889240344 /nfs/dbraw/zinc/24/03/44/889240344.db2.gz KFMGYQVHGGDHPM-HSZRJFAPSA-N 1 1 424.428 4.165 20 5 HIBDMO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000475113191 889964673 /nfs/dbraw/zinc/96/46/73/889964673.db2.gz RBGYFFBKJRJTGQ-CYFREDJKSA-N 1 1 422.529 4.354 20 5 HIBDMO Cc1cccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)[nH+]1 ZINC000475212295 890082274 /nfs/dbraw/zinc/08/22/74/890082274.db2.gz MWIOPUUGTVRYQX-UHFFFAOYSA-N 1 1 423.395 4.108 20 5 HIBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000476268291 891188807 /nfs/dbraw/zinc/18/88/07/891188807.db2.gz GTUGLSLBWPKTJR-MRXNPFEDSA-N 1 1 422.428 4.421 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000477015822 891942858 /nfs/dbraw/zinc/94/28/58/891942858.db2.gz YPCNYNJVMUBHLT-KGLIPLIRSA-N 1 1 405.882 4.319 20 5 HIBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477062219 891994981 /nfs/dbraw/zinc/99/49/81/891994981.db2.gz XITLQHPSWJWECP-UHFFFAOYSA-N 1 1 418.497 4.204 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000477298433 892259310 /nfs/dbraw/zinc/25/93/10/892259310.db2.gz UDDGFPZEFNREJN-OAQYLSRUSA-N 1 1 413.493 4.038 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000477623437 892733989 /nfs/dbraw/zinc/73/39/89/892733989.db2.gz WPEAKQKPXASNLE-CQSZACIVSA-N 1 1 407.923 4.260 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000478624098 893881253 /nfs/dbraw/zinc/88/12/53/893881253.db2.gz UFYWDNXKIGCZEH-KRWDZBQOSA-N 1 1 414.550 4.286 20 5 HIBDMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000479392261 894696157 /nfs/dbraw/zinc/69/61/57/894696157.db2.gz KYQAMDFSJQDFJZ-MRXNPFEDSA-N 1 1 414.483 4.115 20 5 HIBDMO Cc1c(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480057306 895403903 /nfs/dbraw/zinc/40/39/03/895403903.db2.gz UQZXFYRKWFFYGX-UTKZUKDTSA-N 1 1 410.518 4.098 20 5 HIBDMO Cc1c(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480057304 895404996 /nfs/dbraw/zinc/40/49/96/895404996.db2.gz UQZXFYRKWFFYGX-DYESRHJHSA-N 1 1 410.518 4.098 20 5 HIBDMO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481180277 896517790 /nfs/dbraw/zinc/51/77/90/896517790.db2.gz WSTSITMPYDJRMM-CYBMUJFWSA-N 1 1 401.417 4.023 20 5 HIBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481283348 896630359 /nfs/dbraw/zinc/63/03/59/896630359.db2.gz LTWJIJCPSCKKJY-QZTJIDSGSA-N 1 1 415.877 4.397 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000481516985 896884238 /nfs/dbraw/zinc/88/42/38/896884238.db2.gz OIXQVUGXDRCVCY-NYVOZVTQSA-N 1 1 411.502 4.066 20 5 HIBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481861297 897228861 /nfs/dbraw/zinc/22/88/61/897228861.db2.gz DIRFDQRPHPKVCS-DYESRHJHSA-N 1 1 413.905 4.375 20 5 HIBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)C1 ZINC000505517348 914205463 /nfs/dbraw/zinc/20/54/63/914205463.db2.gz YBYVIAULSFLKEM-JOCHJYFZSA-N 1 1 411.527 4.304 20 5 HIBDMO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709885 898310492 /nfs/dbraw/zinc/31/04/92/898310492.db2.gz UOFSKMJVGTZUHO-IAGOWNOFSA-N 1 1 403.548 4.067 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482762960 898369230 /nfs/dbraw/zinc/36/92/30/898369230.db2.gz ZVJLPPUVZGNPGP-RXVVDRJESA-N 1 1 424.501 4.122 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000482826606 898434908 /nfs/dbraw/zinc/43/49/08/898434908.db2.gz PIBNXZBOFCSMIL-REWPJTCUSA-N 1 1 423.513 4.236 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000483558757 899215630 /nfs/dbraw/zinc/21/56/30/899215630.db2.gz IDJXDBUTOMVZNP-MSOLQXFVSA-N 1 1 405.564 4.289 20 5 HIBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000505638328 914340363 /nfs/dbraw/zinc/34/03/63/914340363.db2.gz SMEXHYHLZHKROO-UHFFFAOYSA-N 1 1 402.520 4.469 20 5 HIBDMO Cc1c(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000484822801 900224456 /nfs/dbraw/zinc/22/44/56/900224456.db2.gz RXDVSSXCWZGPTP-NRFANRHFSA-N 1 1 421.522 4.494 20 5 HIBDMO Cc1c(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000484822801 900224465 /nfs/dbraw/zinc/22/44/65/900224465.db2.gz RXDVSSXCWZGPTP-NRFANRHFSA-N 1 1 421.522 4.494 20 5 HIBDMO CSc1cccc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485500206 900789406 /nfs/dbraw/zinc/78/94/06/900789406.db2.gz XOJLLQYVCTVLNE-AEFFLSMTSA-N 1 1 413.543 4.347 20 5 HIBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000485604796 900864371 /nfs/dbraw/zinc/86/43/71/900864371.db2.gz VYJHZQNWNPFSER-LJQANCHMSA-N 1 1 410.518 4.153 20 5 HIBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485716791 900966225 /nfs/dbraw/zinc/96/62/25/900966225.db2.gz FEPLUGAPCGFCIK-HXUWFJFHSA-N 1 1 423.513 4.168 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000485825709 901073435 /nfs/dbraw/zinc/07/34/35/901073435.db2.gz OMUFJGSQWJDVFS-MRXNPFEDSA-N 1 1 401.894 4.466 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000485825709 901073447 /nfs/dbraw/zinc/07/34/47/901073447.db2.gz OMUFJGSQWJDVFS-MRXNPFEDSA-N 1 1 401.894 4.466 20 5 HIBDMO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000486361101 901529981 /nfs/dbraw/zinc/52/99/81/901529981.db2.gz PJHZUVMMPPSKGO-QZTJIDSGSA-N 1 1 411.502 4.167 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486931358 901973675 /nfs/dbraw/zinc/97/36/75/901973675.db2.gz AZQHPGBXKSKFFL-UHFFFAOYSA-N 1 1 419.441 4.482 20 5 HIBDMO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487268068 902128659 /nfs/dbraw/zinc/12/86/59/902128659.db2.gz LTAXHKJZBSIENV-RDJZCZTQSA-N 1 1 409.511 4.450 20 5 HIBDMO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487268064 902128990 /nfs/dbraw/zinc/12/89/90/902128990.db2.gz LTAXHKJZBSIENV-NVXWUHKLSA-N 1 1 409.511 4.450 20 5 HIBDMO COC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488786743 903000066 /nfs/dbraw/zinc/00/00/66/903000066.db2.gz QOWDFBYYRAJPPB-CQSZACIVSA-N 1 1 416.808 4.336 20 5 HIBDMO CC[N@@H+](CC(C)(C)O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489321727 903330947 /nfs/dbraw/zinc/33/09/47/903330947.db2.gz BZADTOUCYCAIMH-SFHVURJKSA-N 1 1 405.882 4.021 20 5 HIBDMO COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000490119851 903776737 /nfs/dbraw/zinc/77/67/37/903776737.db2.gz QRVJKXKBIFZYMJ-HSZRJFAPSA-N 1 1 405.454 4.441 20 5 HIBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490164660 903805083 /nfs/dbraw/zinc/80/50/83/903805083.db2.gz NHRNPKSEIADWTP-OAQYLSRUSA-N 1 1 421.501 4.439 20 5 HIBDMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000490400650 903985827 /nfs/dbraw/zinc/98/58/27/903985827.db2.gz JZXIGERJEVIUNF-UHFFFAOYSA-N 1 1 409.820 4.377 20 5 HIBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)C[C@H](C)O1 ZINC000490403984 903987343 /nfs/dbraw/zinc/98/73/43/903987343.db2.gz XCTMAYQRTCAFPK-ROUUACIJSA-N 1 1 423.513 4.009 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491082075 904418165 /nfs/dbraw/zinc/41/81/65/904418165.db2.gz ZPYPGNDXEATAAS-CQSZACIVSA-N 1 1 410.392 4.376 20 5 HIBDMO COc1cc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000506220329 914850157 /nfs/dbraw/zinc/85/01/57/914850157.db2.gz WFRBDLDXUJNKPG-UHFFFAOYSA-N 1 1 400.353 4.143 20 5 HIBDMO COc1cc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000506220329 914850158 /nfs/dbraw/zinc/85/01/58/914850158.db2.gz WFRBDLDXUJNKPG-UHFFFAOYSA-N 1 1 400.353 4.143 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000493307836 905082508 /nfs/dbraw/zinc/08/25/08/905082508.db2.gz BESBVFSBQVSTKU-RBUKOAKNSA-N 1 1 410.518 4.270 20 5 HIBDMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506269413 914873714 /nfs/dbraw/zinc/87/37/14/914873714.db2.gz NCXODGVNEMHNCT-AWEZNQCLSA-N 1 1 405.401 4.047 20 5 HIBDMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506269413 914873716 /nfs/dbraw/zinc/87/37/16/914873716.db2.gz NCXODGVNEMHNCT-AWEZNQCLSA-N 1 1 405.401 4.047 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(n3cncn3)CC2)ccc1Oc1ccccc1Cl ZINC000512388908 921125987 /nfs/dbraw/zinc/12/59/87/921125987.db2.gz BBZAJDSWTCYAQB-UHFFFAOYSA-N 1 1 413.865 4.469 20 5 HIBDMO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494129135 905473655 /nfs/dbraw/zinc/47/36/55/905473655.db2.gz WJDRGRPLQVOAOW-AZUAARDMSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494129135 905473669 /nfs/dbraw/zinc/47/36/69/905473669.db2.gz WJDRGRPLQVOAOW-AZUAARDMSA-N 1 1 403.429 4.135 20 5 HIBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000494413571 905701163 /nfs/dbraw/zinc/70/11/63/905701163.db2.gz TVMXYGFGDRZZQL-NXEZZACHSA-N 1 1 402.398 4.138 20 5 HIBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000494413509 905702052 /nfs/dbraw/zinc/70/20/52/905702052.db2.gz TUWIYDLGZNVKSJ-NXEZZACHSA-N 1 1 402.398 4.138 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000494489042 905772646 /nfs/dbraw/zinc/77/26/46/905772646.db2.gz CCPZWCHKZGDTKD-FUHWJXTLSA-N 1 1 418.812 4.057 20 5 HIBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512522683 921213719 /nfs/dbraw/zinc/21/37/19/921213719.db2.gz XUYQJPXSQUSFEB-NVXWUHKLSA-N 1 1 416.547 4.235 20 5 HIBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512522683 921213728 /nfs/dbraw/zinc/21/37/28/921213728.db2.gz XUYQJPXSQUSFEB-NVXWUHKLSA-N 1 1 416.547 4.235 20 5 HIBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495104588 906242293 /nfs/dbraw/zinc/24/22/93/906242293.db2.gz YJNOTKOANHHQPN-ZWKOTPCHSA-N 1 1 411.502 4.024 20 5 HIBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000495142282 906268066 /nfs/dbraw/zinc/26/80/66/906268066.db2.gz VVWQGCZZDPWBKG-UHFFFAOYSA-N 1 1 424.423 4.065 20 5 HIBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000512728500 921297901 /nfs/dbraw/zinc/29/79/01/921297901.db2.gz FAUDSRSARCHRTI-KRWDZBQOSA-N 1 1 422.407 4.318 20 5 HIBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498383295 907871351 /nfs/dbraw/zinc/87/13/51/907871351.db2.gz PFMYHCOCGUAJIV-HOCLYGCPSA-N 1 1 421.419 4.254 20 5 HIBDMO CC[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000499125020 908481611 /nfs/dbraw/zinc/48/16/11/908481611.db2.gz YQDOFERDOIWZGX-UPVQGACJSA-N 1 1 422.529 4.354 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500846295 910120524 /nfs/dbraw/zinc/12/05/24/910120524.db2.gz YZDSQJYFKDOWFC-QAPCUYQASA-N 1 1 422.510 4.284 20 5 HIBDMO CCCn1nccc1C1CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000501554950 910658836 /nfs/dbraw/zinc/65/88/36/910658836.db2.gz UXFUVEMHFHWRTI-UHFFFAOYSA-N 1 1 424.448 4.191 20 5 HIBDMO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506443197 915044878 /nfs/dbraw/zinc/04/48/78/915044878.db2.gz KOPCHMFYXLOHCU-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506443197 915044899 /nfs/dbraw/zinc/04/48/99/915044899.db2.gz KOPCHMFYXLOHCU-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO CC(C)[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000513402357 921771052 /nfs/dbraw/zinc/77/10/52/921771052.db2.gz VAWQCEWKJZQUPQ-HNNXBMFYSA-N 1 1 405.445 4.303 20 5 HIBDMO CC(C)[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000513402357 921771065 /nfs/dbraw/zinc/77/10/65/921771065.db2.gz VAWQCEWKJZQUPQ-HNNXBMFYSA-N 1 1 405.445 4.303 20 5 HIBDMO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506772993 915485881 /nfs/dbraw/zinc/48/58/81/915485881.db2.gz CJBYFHMGWYOUBJ-UHFFFAOYSA-N 1 1 421.501 4.154 20 5 HIBDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506772993 915485886 /nfs/dbraw/zinc/48/58/86/915485886.db2.gz CJBYFHMGWYOUBJ-UHFFFAOYSA-N 1 1 421.501 4.154 20 5 HIBDMO COc1ccccc1O[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513411185 921780620 /nfs/dbraw/zinc/78/06/20/921780620.db2.gz KRIQYPNAEMQRNS-QAPCUYQASA-N 1 1 424.457 4.258 20 5 HIBDMO COc1ccccc1O[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513411185 921780630 /nfs/dbraw/zinc/78/06/30/921780630.db2.gz KRIQYPNAEMQRNS-QAPCUYQASA-N 1 1 424.457 4.258 20 5 HIBDMO C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000507121368 915878831 /nfs/dbraw/zinc/87/88/31/915878831.db2.gz OLANHVBZZQOAGK-UHFFFAOYSA-N 1 1 407.264 4.151 20 5 HIBDMO C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000507121368 915878839 /nfs/dbraw/zinc/87/88/39/915878839.db2.gz OLANHVBZZQOAGK-UHFFFAOYSA-N 1 1 407.264 4.151 20 5 HIBDMO COc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C)c(OC)c1 ZINC000507199851 915949654 /nfs/dbraw/zinc/94/96/54/915949654.db2.gz BJSIOSOFVVAAGE-UHFFFAOYSA-N 1 1 416.474 4.279 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C)c(OC)c1 ZINC000507199851 915949672 /nfs/dbraw/zinc/94/96/72/915949672.db2.gz BJSIOSOFVVAAGE-UHFFFAOYSA-N 1 1 416.474 4.279 20 5 HIBDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507245055 916005793 /nfs/dbraw/zinc/00/57/93/916005793.db2.gz WDWOONLGPWHHGD-GHMZBOCLSA-N 1 1 410.243 4.174 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000507248064 916008895 /nfs/dbraw/zinc/00/88/95/916008895.db2.gz SEYBYDOQMIRGMK-MNOVXSKESA-N 1 1 410.243 4.174 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)c1 ZINC000508042986 916870819 /nfs/dbraw/zinc/87/08/19/916870819.db2.gz SDMPOTINOOPNCX-KRWDZBQOSA-N 1 1 400.385 4.270 20 5 HIBDMO COc1ccc(-c2ccc(C[N@@H+](Cc3ccc(C(N)=O)cc3)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000508667783 917432459 /nfs/dbraw/zinc/43/24/59/917432459.db2.gz UPVUQGWYKHFMGD-UHFFFAOYSA-N 1 1 421.453 4.127 20 5 HIBDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000508783673 917537981 /nfs/dbraw/zinc/53/79/81/917537981.db2.gz DADQKOXPUPEYRK-UHFFFAOYSA-N 1 1 401.466 4.430 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC[C@H](CC)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000509574905 918225248 /nfs/dbraw/zinc/22/52/48/918225248.db2.gz KTWDBWAZWPMSRJ-SFHVURJKSA-N 1 1 416.522 4.199 20 5 HIBDMO NC(=O)[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000509585770 918234746 /nfs/dbraw/zinc/23/47/46/918234746.db2.gz VUVFIXQTLQIRQX-FQEVSTJZSA-N 1 1 411.845 4.357 20 5 HIBDMO COc1ccc(CNCC[N@@H+]2CCCC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509614640 918262427 /nfs/dbraw/zinc/26/24/27/918262427.db2.gz BYNYJLRSMXMRHW-GOSISDBHSA-N 1 1 413.518 4.146 20 5 HIBDMO COc1ccc(CNCC[N@H+]2CCCC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509614640 918262445 /nfs/dbraw/zinc/26/24/45/918262445.db2.gz BYNYJLRSMXMRHW-GOSISDBHSA-N 1 1 413.518 4.146 20 5 HIBDMO Cc1c(Br)cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000509698209 918328856 /nfs/dbraw/zinc/32/88/56/918328856.db2.gz KTNSXATWIRJMDE-CYBMUJFWSA-N 1 1 412.328 4.050 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000510025611 918601953 /nfs/dbraw/zinc/60/19/53/918601953.db2.gz HPUVVBOGBPGUMW-UHFFFAOYSA-N 1 1 416.909 4.421 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000510113458 918674891 /nfs/dbraw/zinc/67/48/91/918674891.db2.gz PNNVKDZDKLWSMG-UHFFFAOYSA-N 1 1 421.457 4.036 20 5 HIBDMO COc1cc(C[NH+]2CCC(OCC(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000510626864 919069272 /nfs/dbraw/zinc/06/92/72/919069272.db2.gz AKBDZQGWKFFRRY-UHFFFAOYSA-N 1 1 420.428 4.182 20 5 HIBDMO CCN1CC[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000510635400 919076586 /nfs/dbraw/zinc/07/65/86/919076586.db2.gz ZBPAQPXWCMJTAP-MJGOQNOKSA-N 1 1 415.362 4.215 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000510822337 919300973 /nfs/dbraw/zinc/30/09/73/919300973.db2.gz UPUXJAGMNHHAEB-LJQANCHMSA-N 1 1 424.545 4.211 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(-c2ccccc2Br)o1 ZINC000511057567 919652101 /nfs/dbraw/zinc/65/21/01/919652101.db2.gz BADLUZWZZMBTKL-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(-c2ccccc2Br)o1 ZINC000511057567 919652115 /nfs/dbraw/zinc/65/21/15/919652115.db2.gz BADLUZWZZMBTKL-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000511067027 919666770 /nfs/dbraw/zinc/66/67/70/919666770.db2.gz UBJBOCNGZUVUKL-UHFFFAOYSA-N 1 1 415.799 4.380 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000511067027 919666781 /nfs/dbraw/zinc/66/67/81/919666781.db2.gz UBJBOCNGZUVUKL-UHFFFAOYSA-N 1 1 415.799 4.380 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000511110874 919719477 /nfs/dbraw/zinc/71/94/77/919719477.db2.gz SHNWZCAEHNZPPC-UHFFFAOYSA-N 1 1 415.799 4.380 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000511110874 919719586 /nfs/dbraw/zinc/71/95/86/919719586.db2.gz SHNWZCAEHNZPPC-UHFFFAOYSA-N 1 1 415.799 4.380 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](Cc3ccco3)Cc3cccnc3)o2)c1 ZINC000511169105 919790064 /nfs/dbraw/zinc/79/00/64/919790064.db2.gz HTNJZTWPOQSFJI-UHFFFAOYSA-N 1 1 404.426 4.483 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](Cc3ccco3)Cc3cccnc3)o2)c1 ZINC000511169105 919790079 /nfs/dbraw/zinc/79/00/79/919790079.db2.gz HTNJZTWPOQSFJI-UHFFFAOYSA-N 1 1 404.426 4.483 20 5 HIBDMO COc1cc(C[N@@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000511648260 920314254 /nfs/dbraw/zinc/31/42/54/920314254.db2.gz OQYFMIBUFADORE-UHFFFAOYSA-N 1 1 410.392 4.144 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000511713201 920379187 /nfs/dbraw/zinc/37/91/87/920379187.db2.gz CZYKBFLVMUBCBH-FQEVSTJZSA-N 1 1 413.543 4.347 20 5 HIBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000511727215 920392711 /nfs/dbraw/zinc/39/27/11/920392711.db2.gz MJLGACDQYOFVKJ-HRAATJIYSA-N 1 1 413.493 4.254 20 5 HIBDMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000511727219 920393792 /nfs/dbraw/zinc/39/37/92/920393792.db2.gz MJLGACDQYOFVKJ-IIBYNOLFSA-N 1 1 413.493 4.254 20 5 HIBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000511802577 920498047 /nfs/dbraw/zinc/49/80/47/920498047.db2.gz QDOHNODQPRHQAR-VQTJNVASSA-N 1 1 407.495 4.054 20 5 HIBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000512078646 920843274 /nfs/dbraw/zinc/84/32/74/920843274.db2.gz UXIGOQYWFQSLQP-UWJYYQICSA-N 1 1 410.518 4.256 20 5 HIBDMO CC(=O)N(C)C1CC[NH+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000512291239 921046776 /nfs/dbraw/zinc/04/67/76/921046776.db2.gz GLSSTFNADGYPIS-UHFFFAOYSA-N 1 1 413.543 4.497 20 5 HIBDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000513473312 921832679 /nfs/dbraw/zinc/83/26/79/921832679.db2.gz VSPKXGFJSHKACP-ZDUSSCGKSA-N 1 1 410.417 4.276 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000514805649 922806874 /nfs/dbraw/zinc/80/68/74/922806874.db2.gz ZKXOPVUZNBHAGF-UHFFFAOYSA-N 1 1 423.513 4.183 20 5 HIBDMO O=[N+]([O-])c1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(-c2cccs2)c1 ZINC000516320654 923662184 /nfs/dbraw/zinc/66/21/84/923662184.db2.gz WKHAGRWIVDKQCR-IBGZPJMESA-N 1 1 410.495 4.121 20 5 HIBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000517600055 926709506 /nfs/dbraw/zinc/70/95/06/926709506.db2.gz MQVPSODFJBOOIW-IBGZPJMESA-N 1 1 416.909 4.102 20 5 HIBDMO COc1c(C)cnc(CN2CCC([N@@H+](C)C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000518440795 927273789 /nfs/dbraw/zinc/27/37/89/927273789.db2.gz ASONLCRGDRPXMW-VQHVLOKHSA-N 1 1 424.545 4.225 20 5 HIBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000518934104 927640628 /nfs/dbraw/zinc/64/06/28/927640628.db2.gz GEASTDIRPGPVBE-YQQQUEKLSA-N 1 1 404.470 4.002 20 5 HIBDMO CC[N@@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000519753843 928066102 /nfs/dbraw/zinc/06/61/02/928066102.db2.gz JLHSEEJOVPROIX-XJKSGUPXSA-N 1 1 423.420 4.264 20 5 HIBDMO CC[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000519753843 928066120 /nfs/dbraw/zinc/06/61/20/928066120.db2.gz JLHSEEJOVPROIX-XJKSGUPXSA-N 1 1 423.420 4.264 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000525292827 930135850 /nfs/dbraw/zinc/13/58/50/930135850.db2.gz IGIJBQIAWHQUHP-CQSZACIVSA-N 1 1 419.934 4.471 20 5 HIBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000532215442 931357206 /nfs/dbraw/zinc/35/72/06/931357206.db2.gz OQWCDBPGUOJQHN-IRXDYDNUSA-N 1 1 400.498 4.288 20 5 HIBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625855 931558820 /nfs/dbraw/zinc/55/88/20/931558820.db2.gz PZRLDQDSVDNQCO-KXBFYZLASA-N 1 1 422.510 4.189 20 5 HIBDMO O=C1[C@@H]([N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625855 931558827 /nfs/dbraw/zinc/55/88/27/931558827.db2.gz PZRLDQDSVDNQCO-KXBFYZLASA-N 1 1 422.510 4.189 20 5 HIBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000532692891 931589880 /nfs/dbraw/zinc/58/98/80/931589880.db2.gz MGBFAKPUSNAERG-CQSZACIVSA-N 1 1 420.872 4.421 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000532692891 931589892 /nfs/dbraw/zinc/58/98/92/931589892.db2.gz MGBFAKPUSNAERG-CQSZACIVSA-N 1 1 420.872 4.421 20 5 HIBDMO COc1ccc2cc(C[N@@H+](C)CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)ccc2c1 ZINC000532739000 931618565 /nfs/dbraw/zinc/61/85/65/931618565.db2.gz MCAAZDHGOXMFFZ-UHFFFAOYSA-N 1 1 421.453 4.187 20 5 HIBDMO COc1cc(C)cc(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000532783044 931630626 /nfs/dbraw/zinc/63/06/26/931630626.db2.gz NOGVYCDNZHVSJB-UHFFFAOYSA-N 1 1 414.380 4.151 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000532928960 931698352 /nfs/dbraw/zinc/69/83/52/931698352.db2.gz JDXNCSGROAHRLH-GFCCVEGCSA-N 1 1 411.380 4.254 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000532928960 931698363 /nfs/dbraw/zinc/69/83/63/931698363.db2.gz JDXNCSGROAHRLH-GFCCVEGCSA-N 1 1 411.380 4.254 20 5 HIBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000532968525 931719343 /nfs/dbraw/zinc/71/93/43/931719343.db2.gz JZFJIBIHPXDELH-CQSZACIVSA-N 1 1 420.307 4.167 20 5 HIBDMO Cc1ccccc1[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533251378 931819736 /nfs/dbraw/zinc/81/97/36/931819736.db2.gz NUBWHPUTKNXXOU-ZDUSSCGKSA-N 1 1 406.280 4.297 20 5 HIBDMO Cc1ccccc1[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533251378 931819737 /nfs/dbraw/zinc/81/97/37/931819737.db2.gz NUBWHPUTKNXXOU-ZDUSSCGKSA-N 1 1 406.280 4.297 20 5 HIBDMO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@H](CO)c3cnn(C)c3)cc2[N+](=O)[O-])c1 ZINC000534514828 932540676 /nfs/dbraw/zinc/54/06/76/932540676.db2.gz NFHVXTBOFJPWIN-HXUWFJFHSA-N 1 1 424.501 4.376 20 5 HIBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000534959412 932860243 /nfs/dbraw/zinc/86/02/43/932860243.db2.gz GZXBLSPGCLDZNT-NQIIRXRSSA-N 1 1 418.497 4.203 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000537632709 938341269 /nfs/dbraw/zinc/34/12/69/938341269.db2.gz MOKAVNGUNOUWQO-IEBWSBKVSA-N 1 1 408.545 4.111 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000537632709 938341272 /nfs/dbraw/zinc/34/12/72/938341272.db2.gz MOKAVNGUNOUWQO-IEBWSBKVSA-N 1 1 408.545 4.111 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@H](CO)C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537659765 938348244 /nfs/dbraw/zinc/34/82/44/938348244.db2.gz PUYSLXJSGMTQEC-OAQYLSRUSA-N 1 1 402.491 4.021 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000537661689 938349080 /nfs/dbraw/zinc/34/90/80/938349080.db2.gz MUUSEFNFISHAHP-OXQOHEQNSA-N 1 1 401.532 4.394 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000537661680 938349178 /nfs/dbraw/zinc/34/91/78/938349178.db2.gz MUUSEFNFISHAHP-JXFKEZNVSA-N 1 1 401.532 4.394 20 5 HIBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000538180017 938540183 /nfs/dbraw/zinc/54/01/83/938540183.db2.gz QGHPBZYRMDWLRX-INIZCTEOSA-N 1 1 403.438 4.115 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538720206 938690117 /nfs/dbraw/zinc/69/01/17/938690117.db2.gz MEKUMLOASOIZPJ-SFHVURJKSA-N 1 1 422.460 4.229 20 5 HIBDMO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538730853 938695018 /nfs/dbraw/zinc/69/50/18/938695018.db2.gz VUKLLBVNUHCHHO-QGZVFWFLSA-N 1 1 405.445 4.150 20 5 HIBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000538762643 938704095 /nfs/dbraw/zinc/70/40/95/938704095.db2.gz AHSDNWVFEIVPOV-IBGZPJMESA-N 1 1 400.475 4.041 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000538763018 938705019 /nfs/dbraw/zinc/70/50/19/938705019.db2.gz YUTKSYKKKFLHBX-CQSZACIVSA-N 1 1 417.531 4.327 20 5 HIBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000539120439 938805695 /nfs/dbraw/zinc/80/56/95/938805695.db2.gz MQCRPFQTGPPYGK-OAHLLOKOSA-N 1 1 401.467 4.180 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000539242599 938824507 /nfs/dbraw/zinc/82/45/07/938824507.db2.gz BKGHWXCHWGWUGT-VIFPVBQESA-N 1 1 416.236 4.339 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000539296545 938835625 /nfs/dbraw/zinc/83/56/25/938835625.db2.gz CFQAHTBIDOKNCH-QGZVFWFLSA-N 1 1 403.504 4.255 20 5 HIBDMO CN(C(=O)C[NH2+][C@@H](COCc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000539361322 938848387 /nfs/dbraw/zinc/84/83/87/938848387.db2.gz RNGLKYSPTPDRQO-QHCPKHFHSA-N 1 1 419.481 4.105 20 5 HIBDMO COc1ccc(C[NH2+][C@@H](C)c2ccccc2I)cc1[N+](=O)[O-] ZINC000540170017 939101822 /nfs/dbraw/zinc/10/18/22/939101822.db2.gz CDFGCMDTFOAJNC-NSHDSACASA-N 1 1 412.227 4.059 20 5 HIBDMO CC[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228033 939147434 /nfs/dbraw/zinc/14/74/34/939147434.db2.gz LLAQYGNOUJEFKW-TZIWHRDSSA-N 1 1 419.884 4.272 20 5 HIBDMO CC[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228033 939147439 /nfs/dbraw/zinc/14/74/39/939147439.db2.gz LLAQYGNOUJEFKW-TZIWHRDSSA-N 1 1 419.884 4.272 20 5 HIBDMO O=C(C[NH2+][C@H](COc1ccccc1F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000540367697 939212671 /nfs/dbraw/zinc/21/26/71/939212671.db2.gz GRFFZEDVOMHMJQ-LJQANCHMSA-N 1 1 409.417 4.082 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1OC ZINC000541056291 939444250 /nfs/dbraw/zinc/44/42/50/939444250.db2.gz HMMITGYICDSYBO-OKZBNKHCSA-N 1 1 406.523 4.277 20 5 HIBDMO CC(C)(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000541325256 939490990 /nfs/dbraw/zinc/49/09/90/939490990.db2.gz FAFPSUUMSTVPDT-SFHVURJKSA-N 1 1 412.458 4.024 20 5 HIBDMO CCc1ccc([C@H]([NH2+]C[C@H](O)COc2cccc(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547497 939550641 /nfs/dbraw/zinc/55/06/41/939550641.db2.gz YKKXOQNGYMNBIU-WMZHIEFXSA-N 1 1 410.470 4.178 20 5 HIBDMO C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541730510 939615828 /nfs/dbraw/zinc/61/58/28/939615828.db2.gz WKKMBXWZXMZDRI-HOTGVXAUSA-N 1 1 415.465 4.197 20 5 HIBDMO C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541730509 939615844 /nfs/dbraw/zinc/61/58/44/939615844.db2.gz WKKMBXWZXMZDRI-CVEARBPZSA-N 1 1 415.465 4.197 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000541985781 939670356 /nfs/dbraw/zinc/67/03/56/939670356.db2.gz NLGPISMRVYTUNZ-LNLFQRSKSA-N 1 1 407.555 4.333 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000542055041 939700681 /nfs/dbraw/zinc/70/06/81/939700681.db2.gz JYPGNADVSRWQSU-JOCHJYFZSA-N 1 1 411.502 4.068 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000542358888 939807104 /nfs/dbraw/zinc/80/71/04/939807104.db2.gz KBMOOGPWDLLOFS-UHFFFAOYSA-N 1 1 413.971 4.311 20 5 HIBDMO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542510599 939834815 /nfs/dbraw/zinc/83/48/15/939834815.db2.gz MAALXQQSRGDWLZ-AOIWGVFYSA-N 1 1 413.493 4.349 20 5 HIBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542618352 939849206 /nfs/dbraw/zinc/84/92/06/939849206.db2.gz FYRNYYATZXJSKF-INIZCTEOSA-N 1 1 403.548 4.091 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000542915966 939877085 /nfs/dbraw/zinc/87/70/85/939877085.db2.gz UCFOJNIYQUAYSY-HZPDHXFCSA-N 1 1 402.495 4.131 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]CCNC(=O)c2cccc(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543410561 940056601 /nfs/dbraw/zinc/05/66/01/940056601.db2.gz GONWQXPYZINWEA-QFIPXVFZSA-N 1 1 407.470 4.168 20 5 HIBDMO C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543537565 940097992 /nfs/dbraw/zinc/09/79/92/940097992.db2.gz AZGAEARMLFAUGM-IAGOWNOFSA-N 1 1 413.493 4.386 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000543646178 940148120 /nfs/dbraw/zinc/14/81/20/940148120.db2.gz MMFDCQPFNVBRTM-UHFFFAOYSA-N 1 1 408.433 4.237 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543980624 940282159 /nfs/dbraw/zinc/28/21/59/940282159.db2.gz JRUOKWKJANWFAR-NRFANRHFSA-N 1 1 424.888 4.464 20 5 HIBDMO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cccc(F)c2)no1 ZINC000544520623 940470425 /nfs/dbraw/zinc/47/04/25/940470425.db2.gz WHGDDLJLDBXDQA-ZDUSSCGKSA-N 1 1 423.404 4.332 20 5 HIBDMO CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545518741 940572836 /nfs/dbraw/zinc/57/28/36/940572836.db2.gz UUHIYDUJGZWHGQ-QFIPXVFZSA-N 1 1 406.486 4.346 20 5 HIBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546887643 940901321 /nfs/dbraw/zinc/90/13/21/940901321.db2.gz BYASTQODSPQUQI-KRWDZBQOSA-N 1 1 402.882 4.377 20 5 HIBDMO COc1cc(Br)c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000547284237 941051887 /nfs/dbraw/zinc/05/18/87/941051887.db2.gz PGVJUQVYOPHZIV-UHFFFAOYSA-N 1 1 409.280 4.399 20 5 HIBDMO COc1cccc([C@H]2[C@H](NCc3c(Cl)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549477252 941194633 /nfs/dbraw/zinc/19/46/33/941194633.db2.gz PZNKMHCPKKWVOL-CTNGQTDRSA-N 1 1 401.894 4.324 20 5 HIBDMO COc1cccc([C@H]2[C@H](NCc3c(Cl)cccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000549477252 941194634 /nfs/dbraw/zinc/19/46/34/941194634.db2.gz PZNKMHCPKKWVOL-CTNGQTDRSA-N 1 1 401.894 4.324 20 5 HIBDMO COc1cccc([C@H]2[C@H](NCc3c(Cl)cccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000549477252 941194635 /nfs/dbraw/zinc/19/46/35/941194635.db2.gz PZNKMHCPKKWVOL-CTNGQTDRSA-N 1 1 401.894 4.324 20 5 HIBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000551039937 941399227 /nfs/dbraw/zinc/39/92/27/941399227.db2.gz QIRVPZYWGODMCQ-BFYDXBDKSA-N 1 1 414.449 4.110 20 5 HIBDMO Cc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc(C)n1 ZINC000551268673 941439896 /nfs/dbraw/zinc/43/98/96/941439896.db2.gz JEYUAZRSHSLZQY-UHFFFAOYSA-N 1 1 417.263 4.314 20 5 HIBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)nc1 ZINC000551557702 941501166 /nfs/dbraw/zinc/50/11/66/941501166.db2.gz GYJHEKDMWFBPJL-HNNXBMFYSA-N 1 1 415.906 4.453 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000552040506 941571961 /nfs/dbraw/zinc/57/19/61/941571961.db2.gz UICCNAWACWQRDN-FQEVSTJZSA-N 1 1 419.510 4.374 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000552043414 941572643 /nfs/dbraw/zinc/57/26/43/941572643.db2.gz LWDLVOFMCMGGQP-GOSISDBHSA-N 1 1 415.291 4.013 20 5 HIBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000552064098 941577685 /nfs/dbraw/zinc/57/76/85/941577685.db2.gz XJSTXDYETYBYPJ-LIRRHRJNSA-N 1 1 400.866 4.128 20 5 HIBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)cn1 ZINC000552077083 941580610 /nfs/dbraw/zinc/58/06/10/941580610.db2.gz VXLPHSVUIZQHDX-QGZVFWFLSA-N 1 1 410.449 4.324 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552085101 941581554 /nfs/dbraw/zinc/58/15/54/941581554.db2.gz PGTCFKWFCOPJNR-QFIPXVFZSA-N 1 1 412.486 4.062 20 5 HIBDMO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552244155 941612821 /nfs/dbraw/zinc/61/28/21/941612821.db2.gz WEHVKCLPGLETHC-UGKGYDQZSA-N 1 1 423.492 4.124 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000552351550 941641601 /nfs/dbraw/zinc/64/16/01/941641601.db2.gz XYZDADCKIJXKCV-JOCHJYFZSA-N 1 1 411.527 4.055 20 5 HIBDMO CCC[N@@H+](C)[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553027138 941819473 /nfs/dbraw/zinc/81/94/73/941819473.db2.gz OPVPWGPQOVFWAY-QGZVFWFLSA-N 1 1 405.882 4.070 20 5 HIBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553543495 941905559 /nfs/dbraw/zinc/90/55/59/941905559.db2.gz ZMVUQCQYSURWND-YVEFUNNKSA-N 1 1 412.321 4.154 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)ccc1Oc1ccc(F)cc1 ZINC000553801457 941972605 /nfs/dbraw/zinc/97/26/05/941972605.db2.gz XESYOZNHTPPOPM-IBGZPJMESA-N 1 1 400.381 4.489 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000553929787 942001412 /nfs/dbraw/zinc/00/14/12/942001412.db2.gz PDBDNIAOFHAQLK-SFHVURJKSA-N 1 1 413.478 4.110 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000553929787 942001413 /nfs/dbraw/zinc/00/14/13/942001413.db2.gz PDBDNIAOFHAQLK-SFHVURJKSA-N 1 1 413.478 4.110 20 5 HIBDMO CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000554251710 942079097 /nfs/dbraw/zinc/07/90/97/942079097.db2.gz DFYSVKOTJLGTLM-DFNIBXOVSA-N 1 1 410.474 4.476 20 5 HIBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554303075 942095971 /nfs/dbraw/zinc/09/59/71/942095971.db2.gz NDYSRSYYYLWBRL-MOPGFXCFSA-N 1 1 408.458 4.323 20 5 HIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554303075 942095978 /nfs/dbraw/zinc/09/59/78/942095978.db2.gz NDYSRSYYYLWBRL-MOPGFXCFSA-N 1 1 408.458 4.323 20 5 HIBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554303077 942096516 /nfs/dbraw/zinc/09/65/16/942096516.db2.gz NDYSRSYYYLWBRL-RBUKOAKNSA-N 1 1 408.458 4.323 20 5 HIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554303077 942096520 /nfs/dbraw/zinc/09/65/20/942096520.db2.gz NDYSRSYYYLWBRL-RBUKOAKNSA-N 1 1 408.458 4.323 20 5 HIBDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000554788517 942238050 /nfs/dbraw/zinc/23/80/50/942238050.db2.gz FFEWCSYOKBHDEY-UHFFFAOYSA-N 1 1 417.469 4.414 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1F ZINC000555475017 942577094 /nfs/dbraw/zinc/57/70/94/942577094.db2.gz JYWFXSLFBDFOLY-UHFFFAOYSA-N 1 1 422.338 4.177 20 5 HIBDMO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000556474410 942879521 /nfs/dbraw/zinc/87/95/21/942879521.db2.gz IHLNDBZTYUYGIA-AWEZNQCLSA-N 1 1 409.408 4.254 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556857197 942940933 /nfs/dbraw/zinc/94/09/33/942940933.db2.gz MFNQAFMHMAPIMK-JOCHJYFZSA-N 1 1 407.518 4.048 20 5 HIBDMO COc1ccccc1C1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000556892977 942954607 /nfs/dbraw/zinc/95/46/07/942954607.db2.gz RFALNLMDNFEAJV-OAQYLSRUSA-N 1 1 406.486 4.138 20 5 HIBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)cc1 ZINC000556935132 942972513 /nfs/dbraw/zinc/97/25/13/942972513.db2.gz FDKZGOQSGVNSAX-UHFFFAOYSA-N 1 1 406.486 4.158 20 5 HIBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558027438 943360879 /nfs/dbraw/zinc/36/08/79/943360879.db2.gz XRKALXYKMQLZAI-SPEDKVCISA-N 1 1 422.529 4.009 20 5 HIBDMO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000558459525 943565077 /nfs/dbraw/zinc/56/50/77/943565077.db2.gz IVWICXQGUDTLFV-SECBINFHSA-N 1 1 418.181 4.328 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000558576483 943604540 /nfs/dbraw/zinc/60/45/40/943604540.db2.gz BNYGFURFHWMZJU-OAQYLSRUSA-N 1 1 422.485 4.134 20 5 HIBDMO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739061 943636069 /nfs/dbraw/zinc/63/60/69/943636069.db2.gz BNHGIVMXRQQLQX-INIZCTEOSA-N 1 1 416.547 4.280 20 5 HIBDMO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739061 943636073 /nfs/dbraw/zinc/63/60/73/943636073.db2.gz BNHGIVMXRQQLQX-INIZCTEOSA-N 1 1 416.547 4.280 20 5 HIBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)C1 ZINC000559049838 943815482 /nfs/dbraw/zinc/81/54/82/943815482.db2.gz ZWCZYHLGQBQHMF-CQSZACIVSA-N 1 1 413.440 4.084 20 5 HIBDMO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560531249 944244527 /nfs/dbraw/zinc/24/45/27/944244527.db2.gz ZGYGKHHEWGMTKL-HXUWFJFHSA-N 1 1 414.893 4.438 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000560546743 944250292 /nfs/dbraw/zinc/25/02/92/944250292.db2.gz YBGVJSCHUSJMMC-GOSISDBHSA-N 1 1 420.391 4.149 20 5 HIBDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000564311441 945511795 /nfs/dbraw/zinc/51/17/95/945511795.db2.gz XIBSKNWSZSBSGT-HXUWFJFHSA-N 1 1 422.485 4.047 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000564715556 945738581 /nfs/dbraw/zinc/73/85/81/945738581.db2.gz SPBAJLYFXVDHPG-UHFFFAOYSA-N 1 1 408.420 4.431 20 5 HIBDMO Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 ZINC000565331207 945812635 /nfs/dbraw/zinc/81/26/35/945812635.db2.gz GPNAWSHAMQBXPE-ZDUSSCGKSA-N 1 1 413.865 4.260 20 5 HIBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000566706253 946078190 /nfs/dbraw/zinc/07/81/90/946078190.db2.gz WIKZYPGPPORSKY-HSZRJFAPSA-N 1 1 414.502 4.167 20 5 HIBDMO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570328538 947205700 /nfs/dbraw/zinc/20/57/00/947205700.db2.gz NRZVHODJBBSXLT-QUCCMNQESA-N 1 1 410.518 4.257 20 5 HIBDMO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570328539 947206268 /nfs/dbraw/zinc/20/62/68/947206268.db2.gz NRZVHODJBBSXLT-UYAOXDASSA-N 1 1 410.518 4.257 20 5 HIBDMO Cc1cc(Cc2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)ccc1[N+](=O)[O-] ZINC000573644161 948264259 /nfs/dbraw/zinc/26/42/59/948264259.db2.gz RVCBASMTKPMDBY-UHFFFAOYSA-N 1 1 412.356 4.062 20 5 HIBDMO Cc1cccc(CC2(O)CC[NH+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)c1 ZINC000573811004 948300649 /nfs/dbraw/zinc/30/06/49/948300649.db2.gz FTUFRLXCIZZMAG-UHFFFAOYSA-N 1 1 408.420 4.492 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000573844647 948309313 /nfs/dbraw/zinc/30/93/13/948309313.db2.gz AZQBFAVAPSQOFP-NRFANRHFSA-N 1 1 418.877 4.422 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000573844647 948309323 /nfs/dbraw/zinc/30/93/23/948309323.db2.gz AZQBFAVAPSQOFP-NRFANRHFSA-N 1 1 418.877 4.422 20 5 HIBDMO COc1ccc(C[C@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000575914978 948781468 /nfs/dbraw/zinc/78/14/68/948781468.db2.gz ATURXCXJTMJICP-MRXNPFEDSA-N 1 1 417.893 4.150 20 5 HIBDMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000575914978 948781482 /nfs/dbraw/zinc/78/14/82/948781482.db2.gz ATURXCXJTMJICP-MRXNPFEDSA-N 1 1 417.893 4.150 20 5 HIBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967011 948804738 /nfs/dbraw/zinc/80/47/38/948804738.db2.gz NRHZUUXQKYJOOO-KSSFIOAISA-N 1 1 421.419 4.108 20 5 HIBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164619788 719069091 /nfs/dbraw/zinc/06/90/91/719069091.db2.gz COPRVYAQLBJOTO-UZLBHIALSA-N 1 1 423.904 4.292 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436246827 861556235 /nfs/dbraw/zinc/55/62/35/861556235.db2.gz QXYIDZRIUMERJJ-BBWFWOEESA-N 1 1 421.516 4.298 20 5 HIBDMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])ccc2c1 ZINC000007926691 845448313 /nfs/dbraw/zinc/44/83/13/845448313.db2.gz FVJOUBQUHKWMIJ-UHFFFAOYSA-N 1 1 413.861 4.481 20 5 HIBDMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])ccc2c1 ZINC000007926691 845448321 /nfs/dbraw/zinc/44/83/21/845448321.db2.gz FVJOUBQUHKWMIJ-UHFFFAOYSA-N 1 1 413.861 4.481 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000018941783 846347148 /nfs/dbraw/zinc/34/71/48/846347148.db2.gz UGEHGWGTSUJACU-AWEZNQCLSA-N 1 1 410.499 4.411 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000025697832 847021294 /nfs/dbraw/zinc/02/12/94/847021294.db2.gz PVSQXTBZSGCIKQ-FOIQADDNSA-N 1 1 416.524 4.105 20 5 HIBDMO CCOc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000028669848 847442567 /nfs/dbraw/zinc/44/25/67/847442567.db2.gz CHAWWRRDNLJHKR-UHFFFAOYSA-N 1 1 419.481 4.105 20 5 HIBDMO CN(C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000028966828 847485861 /nfs/dbraw/zinc/48/58/61/847485861.db2.gz VYACMLQRLGVJOA-UHFFFAOYSA-N 1 1 410.499 4.047 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)o2)cc1 ZINC000029825272 847627208 /nfs/dbraw/zinc/62/72/08/847627208.db2.gz IXZZJPLJYIBHRD-OAHLLOKOSA-N 1 1 405.414 4.166 20 5 HIBDMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029936408 847653406 /nfs/dbraw/zinc/65/34/06/847653406.db2.gz FVOFSEQJABQYJX-OAQYLSRUSA-N 1 1 411.458 4.064 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133714 849435834 /nfs/dbraw/zinc/43/58/34/849435834.db2.gz LDXXQMSAIPFYAA-AUSIDOKSSA-N 1 1 411.502 4.332 20 5 HIBDMO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000052451004 849583463 /nfs/dbraw/zinc/58/34/63/849583463.db2.gz SFDYWURAIROLIF-UHFFFAOYSA-N 1 1 402.838 4.199 20 5 HIBDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000052451004 849583472 /nfs/dbraw/zinc/58/34/72/849583472.db2.gz SFDYWURAIROLIF-UHFFFAOYSA-N 1 1 402.838 4.199 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053112567 849668600 /nfs/dbraw/zinc/66/86/00/849668600.db2.gz NYWUUPKQWWYFTK-UHFFFAOYSA-N 1 1 411.380 4.083 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000055855490 850181136 /nfs/dbraw/zinc/18/11/36/850181136.db2.gz JQWIWIQQSISWIL-QFIPXVFZSA-N 1 1 409.417 4.060 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000058952493 850966585 /nfs/dbraw/zinc/96/65/85/850966585.db2.gz VQMWTXUTCHZASM-QGZVFWFLSA-N 1 1 413.543 4.378 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CCc3ccncc3)CC2)s1 ZINC000061310650 851344845 /nfs/dbraw/zinc/34/48/45/851344845.db2.gz FGHZZMZETKPZPY-UHFFFAOYSA-N 1 1 408.527 4.079 20 5 HIBDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000063483082 851700974 /nfs/dbraw/zinc/70/09/74/851700974.db2.gz QBZMWKYCFJFMRL-FQEVSTJZSA-N 1 1 413.474 4.086 20 5 HIBDMO CC1CCN(c2ccc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000063758169 851755588 /nfs/dbraw/zinc/75/55/88/851755588.db2.gz VBCOZZSNUBGVOT-IBGZPJMESA-N 1 1 416.566 4.216 20 5 HIBDMO CCc1cc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905082 852017391 /nfs/dbraw/zinc/01/73/91/852017391.db2.gz NVWWOPZGJHHXNX-NRFANRHFSA-N 1 1 403.486 4.107 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000065867800 852290785 /nfs/dbraw/zinc/29/07/85/852290785.db2.gz KESCGGLUZWGSHL-GOSISDBHSA-N 1 1 420.513 4.098 20 5 HIBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000071892185 852426489 /nfs/dbraw/zinc/42/64/89/852426489.db2.gz PJIRNEZQEGCSLI-SFHVURJKSA-N 1 1 408.285 4.469 20 5 HIBDMO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)c2c1 ZINC000108972160 852902165 /nfs/dbraw/zinc/90/21/65/852902165.db2.gz IVTGQORNNONEJY-UHFFFAOYSA-N 1 1 422.485 4.211 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000109871560 853027209 /nfs/dbraw/zinc/02/72/09/853027209.db2.gz XHXIVTYOWVNEJF-MRXNPFEDSA-N 1 1 406.486 4.238 20 5 HIBDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000110298605 853085332 /nfs/dbraw/zinc/08/53/32/853085332.db2.gz QEBHWWDFMCDSKH-UHFFFAOYSA-N 1 1 419.441 4.364 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000110298605 853085334 /nfs/dbraw/zinc/08/53/34/853085334.db2.gz QEBHWWDFMCDSKH-UHFFFAOYSA-N 1 1 419.441 4.364 20 5 HIBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000115859976 853267896 /nfs/dbraw/zinc/26/78/96/853267896.db2.gz NWTSFECTOOSTRO-CALCHBBNSA-N 1 1 411.502 4.011 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139818561 853422469 /nfs/dbraw/zinc/42/24/69/853422469.db2.gz HILPBXGCYLZCCE-KRWDZBQOSA-N 1 1 417.897 4.162 20 5 HIBDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000150214626 853640247 /nfs/dbraw/zinc/64/02/47/853640247.db2.gz XSIZMDVRRACRJE-HXUWFJFHSA-N 1 1 413.474 4.086 20 5 HIBDMO C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000195542716 853674501 /nfs/dbraw/zinc/67/45/01/853674501.db2.gz GPRRXCHQJUCLQX-UHFFFAOYSA-N 1 1 403.482 4.323 20 5 HIBDMO C[NH+](C)C1(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOCC1 ZINC000237085626 853962175 /nfs/dbraw/zinc/96/21/75/853962175.db2.gz RYGVDIYLTNZCDW-UHFFFAOYSA-N 1 1 419.909 4.241 20 5 HIBDMO COCC[NH+]1CCC(NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000237124940 853967898 /nfs/dbraw/zinc/96/78/98/853967898.db2.gz QYIQZDZJYUAKCE-UHFFFAOYSA-N 1 1 415.559 4.255 20 5 HIBDMO COCCOc1ncccc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237133745 853969785 /nfs/dbraw/zinc/96/97/85/853969785.db2.gz GCTUEDKDECSLCT-UHFFFAOYSA-N 1 1 417.849 4.218 20 5 HIBDMO COc1cc(C[NH2+]Cc2cn3ccccc3n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237294769 854000174 /nfs/dbraw/zinc/00/01/74/854000174.db2.gz XECMVWFGLVADQO-UHFFFAOYSA-N 1 1 418.453 4.120 20 5 HIBDMO C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[N@@H+](C)C1CC1 ZINC000237579712 854057677 /nfs/dbraw/zinc/05/76/77/854057677.db2.gz YIUQVNRBZMNQEB-GFCCVEGCSA-N 1 1 408.296 4.190 20 5 HIBDMO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)N(C)C1CC1 ZINC000237579712 854057680 /nfs/dbraw/zinc/05/76/80/854057680.db2.gz YIUQVNRBZMNQEB-GFCCVEGCSA-N 1 1 408.296 4.190 20 5 HIBDMO O=C1CCCN1C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000237695146 854077630 /nfs/dbraw/zinc/07/76/30/854077630.db2.gz YTWQCSXCKSUGHH-SFHVURJKSA-N 1 1 407.392 4.067 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437279818 862530306 /nfs/dbraw/zinc/53/03/06/862530306.db2.gz FOWXSMTUBZGDLL-GJZGRUSLSA-N 1 1 413.440 4.340 20 5 HIBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000255959728 854231814 /nfs/dbraw/zinc/23/18/14/854231814.db2.gz HCVOOTJMEZWNQQ-RDTXWAMCSA-N 1 1 412.408 4.436 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@H]1c1cccs1 ZINC000301449144 854397764 /nfs/dbraw/zinc/39/77/64/854397764.db2.gz WROXVCAMOGKOQZ-LIRRHRJNSA-N 1 1 416.503 4.108 20 5 HIBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@H+]1Cc1ccccc1 ZINC000301547988 854417822 /nfs/dbraw/zinc/41/78/22/854417822.db2.gz PTCYFLGNHCPGGI-FUHWJXTLSA-N 1 1 410.474 4.016 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1 ZINC000301737769 854455436 /nfs/dbraw/zinc/45/54/36/854455436.db2.gz IQEUFBWUMOUAAW-CQSZACIVSA-N 1 1 405.458 4.154 20 5 HIBDMO O=[N+]([O-])c1cncc(Br)c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000301892414 854486521 /nfs/dbraw/zinc/48/65/21/854486521.db2.gz ONVBSJQMUFWOFJ-MQVJKMGUSA-N 1 1 417.307 4.360 20 5 HIBDMO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccc(Cl)cc2)C1 ZINC000301898086 854488428 /nfs/dbraw/zinc/48/84/28/854488428.db2.gz RVEBKCDWYJUUGW-NHCUHLMSSA-N 1 1 412.877 4.280 20 5 HIBDMO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccc(Cl)cc2)C1 ZINC000301898086 854488430 /nfs/dbraw/zinc/48/84/30/854488430.db2.gz RVEBKCDWYJUUGW-NHCUHLMSSA-N 1 1 412.877 4.280 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301935732 854497892 /nfs/dbraw/zinc/49/78/92/854497892.db2.gz RCTBBRIKHMTWBT-CQSZACIVSA-N 1 1 411.344 4.233 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000303746242 855168394 /nfs/dbraw/zinc/16/83/94/855168394.db2.gz KBNFZHCDCMAABJ-WMZHIEFXSA-N 1 1 424.545 4.298 20 5 HIBDMO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000324109262 855397497 /nfs/dbraw/zinc/39/74/97/855397497.db2.gz FVZAGFZIAZDHDL-OAHLLOKOSA-N 1 1 404.308 4.316 20 5 HIBDMO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000324109261 855397629 /nfs/dbraw/zinc/39/76/29/855397629.db2.gz FVZAGFZIAZDHDL-HNNXBMFYSA-N 1 1 404.308 4.316 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000410365647 855954233 /nfs/dbraw/zinc/95/42/33/855954233.db2.gz FDNBJJBHNUVGRD-MRXNPFEDSA-N 1 1 412.490 4.157 20 5 HIBDMO CC[C@]1(CO)CCC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000428451566 857207385 /nfs/dbraw/zinc/20/73/85/857207385.db2.gz CLDSPGJVQLAXAR-QHCPKHFHSA-N 1 1 414.502 4.167 20 5 HIBDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000428451566 857207402 /nfs/dbraw/zinc/20/74/02/857207402.db2.gz CLDSPGJVQLAXAR-QHCPKHFHSA-N 1 1 414.502 4.167 20 5 HIBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428471686 857212466 /nfs/dbraw/zinc/21/24/66/857212466.db2.gz BZRJCOJUHOXQPP-XMMPIXPASA-N 1 1 420.513 4.432 20 5 HIBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000428716248 857308163 /nfs/dbraw/zinc/30/81/63/857308163.db2.gz IIHKGNLEFPOSAF-UWJYYQICSA-N 1 1 411.527 4.302 20 5 HIBDMO CC(C)([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000429227856 857564120 /nfs/dbraw/zinc/56/41/20/857564120.db2.gz AKHNUZKMDSWYBX-UHFFFAOYSA-N 1 1 410.301 4.085 20 5 HIBDMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429259420 857579433 /nfs/dbraw/zinc/57/94/33/857579433.db2.gz YAXVZDXSEZDPRE-FQEVSTJZSA-N 1 1 411.502 4.182 20 5 HIBDMO CC(C)([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccccc1[N+](=O)[O-] ZINC000429275811 857586710 /nfs/dbraw/zinc/58/67/10/857586710.db2.gz QZVJEDSTJDIBHF-UHFFFAOYSA-N 1 1 418.497 4.217 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000429716072 857846956 /nfs/dbraw/zinc/84/69/56/857846956.db2.gz JRKVJNDTIDXBTF-UHFFFAOYSA-N 1 1 415.465 4.052 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000430211362 858083267 /nfs/dbraw/zinc/08/32/67/858083267.db2.gz IOSYAJLICWJSBK-LBPRGKRZSA-N 1 1 401.410 4.458 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430769523 858297868 /nfs/dbraw/zinc/29/78/68/858297868.db2.gz WCJHESZNLBTAEF-WHSLLNHNSA-N 1 1 402.516 4.482 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430823559 858318209 /nfs/dbraw/zinc/31/82/09/858318209.db2.gz ODIMGCHELQXKAE-UTKZUKDTSA-N 1 1 421.501 4.130 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431682651 858737142 /nfs/dbraw/zinc/73/71/42/858737142.db2.gz UGSZYNGKTQWZMI-DYESRHJHSA-N 1 1 410.518 4.040 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431682654 858737694 /nfs/dbraw/zinc/73/76/94/858737694.db2.gz UGSZYNGKTQWZMI-UWJYYQICSA-N 1 1 410.518 4.040 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302342 859625849 /nfs/dbraw/zinc/62/58/49/859625849.db2.gz IUJDXMCFJLXNNO-HNNXBMFYSA-N 1 1 403.866 4.075 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(n3ccc(C)n3)CC2)cc1OC ZINC000434492479 860371743 /nfs/dbraw/zinc/37/17/43/860371743.db2.gz HHJVHSWAKZSPFP-MRXNPFEDSA-N 1 1 416.522 4.370 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000435298850 860725955 /nfs/dbraw/zinc/72/59/55/860725955.db2.gz OOKZPAXRJGUASN-OAQYLSRUSA-N 1 1 404.438 4.115 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998592 863361379 /nfs/dbraw/zinc/36/13/79/863361379.db2.gz JBSKRVGPGWMUQX-YLJYHZDGSA-N 1 1 408.502 4.104 20 5 HIBDMO COc1cc(C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)c([N+](=O)[O-])cc1OC ZINC000438338296 863812076 /nfs/dbraw/zinc/81/20/76/863812076.db2.gz JJFKGCIWDSXBKG-UHFFFAOYSA-N 1 1 411.458 4.441 20 5 HIBDMO Cc1ccc(Sc2ccc(C[N@@H+](CCO)C3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000438344481 863814732 /nfs/dbraw/zinc/81/47/32/863814732.db2.gz YHPVGKROYYSPSF-UHFFFAOYSA-N 1 1 402.516 4.028 20 5 HIBDMO CC[C@](C)(O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000439254801 864671226 /nfs/dbraw/zinc/67/12/26/864671226.db2.gz DWKPUPGQNLDVBG-QHCPKHFHSA-N 1 1 409.486 4.456 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000439898992 865211254 /nfs/dbraw/zinc/21/12/54/865211254.db2.gz JCGFEVGYQBDKGD-LPHOPBHVSA-N 1 1 412.490 4.026 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000440531594 865806167 /nfs/dbraw/zinc/80/61/67/865806167.db2.gz JUQGQWCVOSTKRT-SFHVURJKSA-N 1 1 407.470 4.325 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000440546582 865814355 /nfs/dbraw/zinc/81/43/55/865814355.db2.gz XZVYIHSJQQSXQT-SFHVURJKSA-N 1 1 413.543 4.301 20 5 HIBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441265801 866340692 /nfs/dbraw/zinc/34/06/92/866340692.db2.gz UKIPWWWNEVZQQX-KPZWWZAWSA-N 1 1 407.392 4.296 20 5 HIBDMO CC1CCC([N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2CCCO2)CC1 ZINC000441442336 866519109 /nfs/dbraw/zinc/51/91/09/866519109.db2.gz BDYWQQBJTCYTBV-GXOAENINSA-N 1 1 400.479 4.205 20 5 HIBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442673209 867608238 /nfs/dbraw/zinc/60/82/38/867608238.db2.gz QPMZFEJCJQRQIA-KRWDZBQOSA-N 1 1 413.543 4.454 20 5 HIBDMO O=C1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C1CCCCC1 ZINC000442990689 867781224 /nfs/dbraw/zinc/78/12/24/867781224.db2.gz KGCQMVAMFFZDBN-IBGZPJMESA-N 1 1 414.531 4.132 20 5 HIBDMO CO[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000443076553 867813437 /nfs/dbraw/zinc/81/34/37/867813437.db2.gz YAWXNHFZUVZTJH-VGSWGCGISA-N 1 1 406.486 4.447 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443639587 868224659 /nfs/dbraw/zinc/22/46/59/868224659.db2.gz LIANEBLNZPMVNV-OAHLLOKOSA-N 1 1 403.866 4.039 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443639586 868225627 /nfs/dbraw/zinc/22/56/27/868225627.db2.gz LIANEBLNZPMVNV-HNNXBMFYSA-N 1 1 403.866 4.039 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 ZINC000443644612 868233373 /nfs/dbraw/zinc/23/33/73/868233373.db2.gz FYDLXOVGQFEXAW-CQSZACIVSA-N 1 1 423.404 4.305 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000444175541 868649290 /nfs/dbraw/zinc/64/92/90/868649290.db2.gz KRIGBKZGVAEEIO-AUUYWEPGSA-N 1 1 401.438 4.154 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCCO)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000444658122 868934858 /nfs/dbraw/zinc/93/48/58/868934858.db2.gz AKBNQBAKYLTDSK-UHFFFAOYSA-N 1 1 416.481 4.445 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCO)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000444658122 868934863 /nfs/dbraw/zinc/93/48/63/868934863.db2.gz AKBNQBAKYLTDSK-UHFFFAOYSA-N 1 1 416.481 4.445 20 5 HIBDMO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F ZINC000444683600 868958886 /nfs/dbraw/zinc/95/88/86/868958886.db2.gz YOBAZFIINHKWBI-JTQLQIEISA-N 1 1 423.807 4.282 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000444895228 869083407 /nfs/dbraw/zinc/08/34/07/869083407.db2.gz KAVZBRBWXHHHFS-SJLPKXTDSA-N 1 1 412.490 4.120 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000444903309 869090964 /nfs/dbraw/zinc/09/09/64/869090964.db2.gz XSEKTGKAYOHQLA-GHTZIAJQSA-N 1 1 424.501 4.122 20 5 HIBDMO C[C@@H](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@@H+](C)Cc1ccccc1 ZINC000444995113 869150728 /nfs/dbraw/zinc/15/07/28/869150728.db2.gz GJYSSVIIZSFPMO-SFHVURJKSA-N 1 1 413.521 4.322 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445001584 869156418 /nfs/dbraw/zinc/15/64/18/869156418.db2.gz VLVSVDOGNUDRRP-RBUKOAKNSA-N 1 1 417.553 4.408 20 5 HIBDMO C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000445165167 869253316 /nfs/dbraw/zinc/25/33/16/869253316.db2.gz YQXQWDAYVFSJIN-DLBZAZTESA-N 1 1 403.526 4.064 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000446977768 870875526 /nfs/dbraw/zinc/87/55/26/870875526.db2.gz RIRYBXGMWBZFHV-PXAZEXFGSA-N 1 1 400.422 4.459 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[NH+](Cc2cccs2)CC1 ZINC000447686603 871619478 /nfs/dbraw/zinc/61/94/78/871619478.db2.gz RGQUHCOHCVNFCX-UHFFFAOYSA-N 1 1 422.379 4.028 20 5 HIBDMO Cc1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000447692056 871628062 /nfs/dbraw/zinc/62/80/62/871628062.db2.gz YGNWCYYEOMJWFW-UHFFFAOYSA-N 1 1 405.458 4.111 20 5 HIBDMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448444074 872385824 /nfs/dbraw/zinc/38/58/24/872385824.db2.gz APCKJFQKXPPQRN-XMSQKQJNSA-N 1 1 420.513 4.427 20 5 HIBDMO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000468878402 882914721 /nfs/dbraw/zinc/91/47/21/882914721.db2.gz HQNSKCCTTCAUGV-NSHDSACASA-N 1 1 423.263 4.083 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000462489549 875600665 /nfs/dbraw/zinc/60/06/65/875600665.db2.gz KZIMTYKRPHBINJ-GOSISDBHSA-N 1 1 413.543 4.351 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000462983979 875996757 /nfs/dbraw/zinc/99/67/57/875996757.db2.gz BFJCSJYPYOYHFM-GGAORHGYSA-N 1 1 424.545 4.072 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000463281623 876338264 /nfs/dbraw/zinc/33/82/64/876338264.db2.gz VWTBFIOKUQATMD-GCJKJVERSA-N 1 1 410.518 4.035 20 5 HIBDMO COc1cc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000464593136 877820229 /nfs/dbraw/zinc/82/02/29/877820229.db2.gz LPNSULVMFQJBFZ-UHFFFAOYSA-N 1 1 400.475 4.054 20 5 HIBDMO COc1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])cc1F ZINC000464685249 877899629 /nfs/dbraw/zinc/89/96/29/877899629.db2.gz AFDDLDGUEZZHPV-UHFFFAOYSA-N 1 1 413.493 4.231 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464833961 878092301 /nfs/dbraw/zinc/09/23/01/878092301.db2.gz OSGQSIUOLUYONV-KBXCAEBGSA-N 1 1 401.463 4.307 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464845242 878118394 /nfs/dbraw/zinc/11/83/94/878118394.db2.gz LWNHUXKSEGFCSK-MSOLQXFVSA-N 1 1 421.501 4.302 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)C1 ZINC000465181266 878570410 /nfs/dbraw/zinc/57/04/10/878570410.db2.gz CPYZQQQVCNKXLO-HNNXBMFYSA-N 1 1 408.458 4.049 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000465189189 878584681 /nfs/dbraw/zinc/58/46/81/878584681.db2.gz WSLWRPYSCLEZGH-MRXNPFEDSA-N 1 1 415.515 4.046 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000465640177 879154262 /nfs/dbraw/zinc/15/42/62/879154262.db2.gz QQODVLLBQCJBOT-ICSRJNTNSA-N 1 1 410.518 4.209 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1Br ZINC000467039866 880836355 /nfs/dbraw/zinc/83/63/55/880836355.db2.gz DKTWDYQPEWTSFG-UHFFFAOYSA-N 1 1 412.671 4.325 20 5 HIBDMO C[N@H+](CC[C@H]1CCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467153356 880889291 /nfs/dbraw/zinc/88/92/91/880889291.db2.gz AYQSFVLCBFJEQZ-XLIONFOSSA-N 1 1 417.893 4.429 20 5 HIBDMO C[N@@H+](CC[C@H]1CCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467153356 880889305 /nfs/dbraw/zinc/88/93/05/880889305.db2.gz AYQSFVLCBFJEQZ-XLIONFOSSA-N 1 1 417.893 4.429 20 5 HIBDMO CCS(=O)(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000467417434 881204773 /nfs/dbraw/zinc/20/47/73/881204773.db2.gz JUPAIGIREVCSDP-QFIPXVFZSA-N 1 1 410.495 4.268 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000470176131 884459379 /nfs/dbraw/zinc/45/93/79/884459379.db2.gz ILBLIIAEYVVVPR-GHRIWEEISA-N 1 1 413.905 4.500 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000470176131 884459387 /nfs/dbraw/zinc/45/93/87/884459387.db2.gz ILBLIIAEYVVVPR-GHRIWEEISA-N 1 1 413.905 4.500 20 5 HIBDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470181166 884469125 /nfs/dbraw/zinc/46/91/25/884469125.db2.gz ZEOXCDXESIPSID-GUOCTKQSSA-N 1 1 409.486 4.418 20 5 HIBDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470181166 884469133 /nfs/dbraw/zinc/46/91/33/884469133.db2.gz ZEOXCDXESIPSID-GUOCTKQSSA-N 1 1 409.486 4.418 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000470832764 885323996 /nfs/dbraw/zinc/32/39/96/885323996.db2.gz SVOAFJHXPZJTFR-KRWDZBQOSA-N 1 1 411.502 4.298 20 5 HIBDMO CCc1ccc(C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000471910970 886695850 /nfs/dbraw/zinc/69/58/50/886695850.db2.gz KMYZDJCUXQHAPU-UHFFFAOYSA-N 1 1 424.501 4.142 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000474362700 889240396 /nfs/dbraw/zinc/24/03/96/889240396.db2.gz KFMGYQVHGGDHPM-QHCPKHFHSA-N 1 1 424.428 4.165 20 5 HIBDMO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000504561047 913333490 /nfs/dbraw/zinc/33/34/90/913333490.db2.gz NEPRLLIIFVAYLS-CBGDNZLLSA-N 1 1 410.449 4.101 20 5 HIBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000475565788 890496090 /nfs/dbraw/zinc/49/60/90/890496090.db2.gz MYCPTZROHFILIC-OAHLLOKOSA-N 1 1 412.442 4.476 20 5 HIBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000475628181 890567272 /nfs/dbraw/zinc/56/72/72/890567272.db2.gz ZUHWENRATKTREY-FOIQADDNSA-N 1 1 406.866 4.278 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475711179 890650064 /nfs/dbraw/zinc/65/00/64/890650064.db2.gz VDZXZIDLTQTESK-QGZVFWFLSA-N 1 1 402.447 4.165 20 5 HIBDMO C[N@@H+](Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000477445943 892396346 /nfs/dbraw/zinc/39/63/46/892396346.db2.gz SNWCCRVOYFMOOO-UHFFFAOYSA-N 1 1 413.493 4.357 20 5 HIBDMO COc1ccc(NC(=O)C[N@H+](C)C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])c1 ZINC000477749332 892842559 /nfs/dbraw/zinc/84/25/59/892842559.db2.gz VNNRPBPVRLVAPT-UHFFFAOYSA-N 1 1 403.438 4.244 20 5 HIBDMO COc1ccc(NC(=O)C[N@@H+](C)C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])c1 ZINC000477749332 892842560 /nfs/dbraw/zinc/84/25/60/892842560.db2.gz VNNRPBPVRLVAPT-UHFFFAOYSA-N 1 1 403.438 4.244 20 5 HIBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCSc2ccc(Br)cc21 ZINC000478006083 893111236 /nfs/dbraw/zinc/11/12/36/893111236.db2.gz XYUTXZIEPYBHAK-AWEZNQCLSA-N 1 1 411.325 4.113 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000478043976 893184085 /nfs/dbraw/zinc/18/40/85/893184085.db2.gz XNRQUCKJXNVBLT-UHFFFAOYSA-N 1 1 412.671 4.325 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053969 893206502 /nfs/dbraw/zinc/20/65/02/893206502.db2.gz NWNQVNOGZZVEFC-HKUYNNGSSA-N 1 1 416.566 4.207 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000479444828 894761090 /nfs/dbraw/zinc/76/10/90/894761090.db2.gz KEKACVXXTHBHEK-UHFFFAOYSA-N 1 1 401.894 4.205 20 5 HIBDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481180278 896518098 /nfs/dbraw/zinc/51/80/98/896518098.db2.gz WSTSITMPYDJRMM-ZDUSSCGKSA-N 1 1 401.417 4.023 20 5 HIBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481893021 897270308 /nfs/dbraw/zinc/27/03/08/897270308.db2.gz SHPGTWRCIYFYSB-GMAHTHKFSA-N 1 1 407.514 4.041 20 5 HIBDMO CO[C@]1(C)CCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037882 898705288 /nfs/dbraw/zinc/70/52/88/898705288.db2.gz FGJJLQKKJDBDPA-FYYLOGMGSA-N 1 1 411.502 4.474 20 5 HIBDMO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483593692 899244628 /nfs/dbraw/zinc/24/46/28/899244628.db2.gz ONFNTPJPEBBQAU-REWPJTCUSA-N 1 1 421.541 4.386 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000505752454 914426125 /nfs/dbraw/zinc/42/61/25/914426125.db2.gz FIPKMWFBFONOOA-UHFFFAOYSA-N 1 1 413.543 4.445 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484945799 900314677 /nfs/dbraw/zinc/31/46/77/900314677.db2.gz CXJFIJCVKAMHQO-ZWKOTPCHSA-N 1 1 413.905 4.151 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1SC ZINC000484985325 900340861 /nfs/dbraw/zinc/34/08/61/900340861.db2.gz QHKLXHXOCKSIGP-INIZCTEOSA-N 1 1 423.922 4.011 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000485004953 900355814 /nfs/dbraw/zinc/35/58/14/900355814.db2.gz LTTJLNDPLKLIQL-GOSISDBHSA-N 1 1 413.543 4.001 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[N@H+]1C ZINC000485385051 900680399 /nfs/dbraw/zinc/68/03/99/900680399.db2.gz RPKBNFRIRRDSOX-GOEBONIOSA-N 1 1 416.909 4.073 20 5 HIBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486704566 901804119 /nfs/dbraw/zinc/80/41/19/901804119.db2.gz GKCWMPJHCQCLBP-KRWDZBQOSA-N 1 1 421.419 4.142 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000486753921 901830726 /nfs/dbraw/zinc/83/07/26/901830726.db2.gz QVELKXWTNAWHMR-IRXDYDNUSA-N 1 1 405.564 4.433 20 5 HIBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486820621 901874399 /nfs/dbraw/zinc/87/43/99/901874399.db2.gz GIOOKZZZKPZQFZ-YBOAYWMSSA-N 1 1 405.458 4.155 20 5 HIBDMO CCOc1ccc(-c2nc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cs2)cc1 ZINC000488787931 903001889 /nfs/dbraw/zinc/00/18/89/903001889.db2.gz RZXUTUTYLKGAAO-UHFFFAOYSA-N 1 1 413.503 4.151 20 5 HIBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1 ZINC000489755997 903582533 /nfs/dbraw/zinc/58/25/33/903582533.db2.gz RAIMSMBINVBHQK-UHFFFAOYSA-N 1 1 413.474 4.174 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489867464 903640308 /nfs/dbraw/zinc/64/03/08/903640308.db2.gz AFSIWBRVLOPEQR-KRWDZBQOSA-N 1 1 413.543 4.443 20 5 HIBDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000490196747 903822039 /nfs/dbraw/zinc/82/20/39/903822039.db2.gz LJHURUPTFQLBMU-ICSRJNTNSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000490196747 903822044 /nfs/dbraw/zinc/82/20/44/903822044.db2.gz LJHURUPTFQLBMU-ICSRJNTNSA-N 1 1 403.429 4.135 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490289785 903879142 /nfs/dbraw/zinc/87/91/42/903879142.db2.gz QXJJEBJSZBKJQE-UNMCSNQZSA-N 1 1 417.456 4.146 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490289785 903879143 /nfs/dbraw/zinc/87/91/43/903879143.db2.gz QXJJEBJSZBKJQE-UNMCSNQZSA-N 1 1 417.456 4.146 20 5 HIBDMO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)N(Cc1ccccc1)C1CC1 ZINC000490397460 903983172 /nfs/dbraw/zinc/98/31/72/903983172.db2.gz GWLORMHRDJOJCW-UHFFFAOYSA-N 1 1 411.477 4.137 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000491025842 904377364 /nfs/dbraw/zinc/37/73/64/904377364.db2.gz DHVNAAKRKMOWDF-SFHVURJKSA-N 1 1 413.543 4.301 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000491052526 904397080 /nfs/dbraw/zinc/39/70/80/904397080.db2.gz RDFCTGJPTZZNNG-HXUWFJFHSA-N 1 1 409.530 4.243 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491132533 904446185 /nfs/dbraw/zinc/44/61/85/904446185.db2.gz IURQEIIMCHAVOX-ZDUSSCGKSA-N 1 1 410.417 4.016 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000491142563 904453329 /nfs/dbraw/zinc/45/33/29/904453329.db2.gz ZOYXLFOQRKDOLI-QGZVFWFLSA-N 1 1 405.564 4.147 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc5ccccn54)C3)o2)c1 ZINC000506152337 914825763 /nfs/dbraw/zinc/82/57/63/914825763.db2.gz DNFQBCYBFYCSOW-KRWDZBQOSA-N 1 1 403.442 4.277 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000492265261 904826055 /nfs/dbraw/zinc/82/60/55/904826055.db2.gz DGIWKEQIACLOOV-PKOBYXMFSA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000492265261 904826063 /nfs/dbraw/zinc/82/60/63/904826063.db2.gz DGIWKEQIACLOOV-PKOBYXMFSA-N 1 1 401.894 4.087 20 5 HIBDMO C[C@@H]1[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@H+]1Cc1ccccc1 ZINC000494059023 905397437 /nfs/dbraw/zinc/39/74/37/905397437.db2.gz HOOHEEWNTOWCOQ-VGSWGCGISA-N 1 1 411.505 4.074 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000494110705 905458161 /nfs/dbraw/zinc/45/81/61/905458161.db2.gz UPBYUVVKKDQYDY-OXJNMPFZSA-N 1 1 417.575 4.432 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000494115366 905459912 /nfs/dbraw/zinc/45/99/12/905459912.db2.gz GHGXHYBNWAQZKV-SFHVURJKSA-N 1 1 411.502 4.055 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494445458 905729609 /nfs/dbraw/zinc/72/96/09/905729609.db2.gz JIXDQAWVNXSVAK-FDDCHVKYSA-N 1 1 422.529 4.179 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494445464 905731579 /nfs/dbraw/zinc/73/15/79/905731579.db2.gz JIXDQAWVNXSVAK-WZONZLPQSA-N 1 1 422.529 4.179 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000494495740 905783549 /nfs/dbraw/zinc/78/35/49/905783549.db2.gz OGSOBPCVDZGYDI-AEFFLSMTSA-N 1 1 418.812 4.057 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1Cc1ccccc1 ZINC000512546412 921227485 /nfs/dbraw/zinc/22/74/85/921227485.db2.gz VDAOPYHQIXXLRN-AEFFLSMTSA-N 1 1 406.486 4.107 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@H+]1Cc1ccccc1 ZINC000512551200 921230984 /nfs/dbraw/zinc/23/09/84/921230984.db2.gz RWCBPOMMJZWKAO-FUHWJXTLSA-N 1 1 406.486 4.107 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512800655 921314243 /nfs/dbraw/zinc/31/42/43/921314243.db2.gz FVTJMOAWRPXHCS-HNAYVOBHSA-N 1 1 419.428 4.144 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512800655 921314244 /nfs/dbraw/zinc/31/42/44/921314244.db2.gz FVTJMOAWRPXHCS-HNAYVOBHSA-N 1 1 419.428 4.144 20 5 HIBDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-])C2 ZINC000512812573 921317284 /nfs/dbraw/zinc/31/72/84/921317284.db2.gz WBWLAXFWRIRBIF-GENZYMQKSA-N 1 1 406.523 4.419 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C2CC2)c1 ZINC000498386714 907873626 /nfs/dbraw/zinc/87/36/26/907873626.db2.gz KCIUNURHVNAQMK-TZIWHRDSSA-N 1 1 410.474 4.011 20 5 HIBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000500279769 909757995 /nfs/dbraw/zinc/75/79/95/909757995.db2.gz GLOIVQUWWRXJJS-UHFFFAOYSA-N 1 1 403.866 4.207 20 5 HIBDMO O=C(CC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501012700 910233933 /nfs/dbraw/zinc/23/39/33/910233933.db2.gz WNAYPINONCJQRM-OAHLLOKOSA-N 1 1 407.392 4.432 20 5 HIBDMO O=C(CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1)Nc1ccccc1[N+](=O)[O-] ZINC000501114160 910301370 /nfs/dbraw/zinc/30/13/70/910301370.db2.gz CATUZICESPHIHS-LJQANCHMSA-N 1 1 421.457 4.201 20 5 HIBDMO O=C(CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1)Nc1ccccc1[N+](=O)[O-] ZINC000501114160 910301391 /nfs/dbraw/zinc/30/13/91/910301391.db2.gz CATUZICESPHIHS-LJQANCHMSA-N 1 1 421.457 4.201 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000513120961 921566001 /nfs/dbraw/zinc/56/60/01/921566001.db2.gz WEVZOXUGIDTDRO-HXUWFJFHSA-N 1 1 406.486 4.107 20 5 HIBDMO COc1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c([N+](=O)[O-])cc1F ZINC000501520492 910630321 /nfs/dbraw/zinc/63/03/21/910630321.db2.gz FHVQAHSSUHSKKF-CQSZACIVSA-N 1 1 411.227 4.118 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1 ZINC000501732785 910793749 /nfs/dbraw/zinc/79/37/49/910793749.db2.gz QPFYNMSZNYRLNC-KRWDZBQOSA-N 1 1 423.448 4.089 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1 ZINC000501732785 910793768 /nfs/dbraw/zinc/79/37/68/910793768.db2.gz QPFYNMSZNYRLNC-KRWDZBQOSA-N 1 1 423.448 4.089 20 5 HIBDMO Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn2cc[nH+]c12 ZINC000502895133 911889610 /nfs/dbraw/zinc/88/96/10/911889610.db2.gz FPIWIWPOBQSMSR-UHFFFAOYSA-N 1 1 404.376 4.168 20 5 HIBDMO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502939344 911925672 /nfs/dbraw/zinc/92/56/72/911925672.db2.gz LSIJNYVHNXJULV-INIZCTEOSA-N 1 1 423.473 4.274 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506470773 915068791 /nfs/dbraw/zinc/06/87/91/915068791.db2.gz NPECMWCJJICGJD-IKGGRYGDSA-N 1 1 422.957 4.162 20 5 HIBDMO CCOC[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000506487569 915094810 /nfs/dbraw/zinc/09/48/10/915094810.db2.gz PCRFZULGSQOASF-AVRDEDQJSA-N 1 1 411.502 4.332 20 5 HIBDMO CCOC[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000506487569 915094832 /nfs/dbraw/zinc/09/48/32/915094832.db2.gz PCRFZULGSQOASF-AVRDEDQJSA-N 1 1 411.502 4.332 20 5 HIBDMO COc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506552826 915199320 /nfs/dbraw/zinc/19/93/20/915199320.db2.gz OWKYCZZEOXEDKW-IBGZPJMESA-N 1 1 412.486 4.183 20 5 HIBDMO COc1ccc([C@@H](NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)cc1 ZINC000513392761 921762771 /nfs/dbraw/zinc/76/27/71/921762771.db2.gz XICFVFYKPOXWFX-QHCPKHFHSA-N 1 1 411.502 4.081 20 5 HIBDMO COc1ccc([C@@H](NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)cc1 ZINC000513392761 921762788 /nfs/dbraw/zinc/76/27/88/921762788.db2.gz XICFVFYKPOXWFX-QHCPKHFHSA-N 1 1 411.502 4.081 20 5 HIBDMO Cn1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506742500 915431991 /nfs/dbraw/zinc/43/19/91/915431991.db2.gz GZQSBFCKUMZCNW-IBGZPJMESA-N 1 1 412.515 4.238 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507177833 915922953 /nfs/dbraw/zinc/92/29/53/915922953.db2.gz HEAQVOVKTVMODI-MRXNPFEDSA-N 1 1 408.458 4.141 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507181821 915929406 /nfs/dbraw/zinc/92/94/06/915929406.db2.gz RTTKPDLYVOMRSE-UHFFFAOYSA-N 1 1 408.458 4.061 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507181821 915929422 /nfs/dbraw/zinc/92/94/22/915929422.db2.gz RTTKPDLYVOMRSE-UHFFFAOYSA-N 1 1 408.458 4.061 20 5 HIBDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000507197177 915945828 /nfs/dbraw/zinc/94/58/28/915945828.db2.gz PDBAHYZGHACFLO-UHFFFAOYSA-N 1 1 419.441 4.364 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000507197177 915945839 /nfs/dbraw/zinc/94/58/39/915945839.db2.gz PDBAHYZGHACFLO-UHFFFAOYSA-N 1 1 419.441 4.364 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000507238488 915997685 /nfs/dbraw/zinc/99/76/85/915997685.db2.gz RZDBTCVTWTUDKC-QFIPXVFZSA-N 1 1 419.485 4.186 20 5 HIBDMO COc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OCC(C)C ZINC000507894390 916750163 /nfs/dbraw/zinc/75/01/63/916750163.db2.gz IOVRDTXPBXDHNP-OAHLLOKOSA-N 1 1 416.474 4.356 20 5 HIBDMO O=C(C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)Nc1cccc(F)c1 ZINC000507930469 916804141 /nfs/dbraw/zinc/80/41/41/916804141.db2.gz LVDAFAVGLHIXCP-UHFFFAOYSA-N 1 1 413.380 4.394 20 5 HIBDMO COc1ccc(CNCC[N@@H+]2CCC[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508105520 916920631 /nfs/dbraw/zinc/92/06/31/916920631.db2.gz URGLWYZJSBPGDD-GOSISDBHSA-N 1 1 413.518 4.004 20 5 HIBDMO COc1ccc(CNCC[N@H+]2CCC[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508105520 916920636 /nfs/dbraw/zinc/92/06/36/916920636.db2.gz URGLWYZJSBPGDD-GOSISDBHSA-N 1 1 413.518 4.004 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000508533074 917314451 /nfs/dbraw/zinc/31/44/51/917314451.db2.gz UQJQBPUHLOSOIC-UHFFFAOYSA-N 1 1 405.454 4.488 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000509347959 918012687 /nfs/dbraw/zinc/01/26/87/918012687.db2.gz HRYJGAKRWXERNK-CYBMUJFWSA-N 1 1 418.375 4.442 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000509347959 918012699 /nfs/dbraw/zinc/01/26/99/918012699.db2.gz HRYJGAKRWXERNK-CYBMUJFWSA-N 1 1 418.375 4.442 20 5 HIBDMO Cc1c(Br)cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000509698210 918328933 /nfs/dbraw/zinc/32/89/33/918328933.db2.gz KTNSXATWIRJMDE-ZDUSSCGKSA-N 1 1 412.328 4.050 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000509763165 918376583 /nfs/dbraw/zinc/37/65/83/918376583.db2.gz QISNAHJCHUEFRH-NQIIRXRSSA-N 1 1 410.518 4.350 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000510239407 918777411 /nfs/dbraw/zinc/77/74/11/918777411.db2.gz BOTIXIDBRLOGQB-FUHWJXTLSA-N 1 1 406.486 4.107 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](n4ncc5ccccc54)C3)o2)c1 ZINC000510436229 918895741 /nfs/dbraw/zinc/89/57/41/918895741.db2.gz YTKHQJXSWBKHOL-LJQANCHMSA-N 1 1 403.442 4.089 20 5 HIBDMO COc1cc(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000510450341 918907155 /nfs/dbraw/zinc/90/71/55/918907155.db2.gz UCBUAKHDFPHIPS-IJEWVQPXSA-N 1 1 413.465 4.042 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000510456725 918911803 /nfs/dbraw/zinc/91/18/03/918911803.db2.gz PDXSASBQCJIAPX-OAHLLOKOSA-N 1 1 418.400 4.002 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000510456725 918911819 /nfs/dbraw/zinc/91/18/19/918911819.db2.gz PDXSASBQCJIAPX-OAHLLOKOSA-N 1 1 418.400 4.002 20 5 HIBDMO C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510800368 919269000 /nfs/dbraw/zinc/26/90/00/919269000.db2.gz QEAYRMDUZUYWRU-GDBMZVCRSA-N 1 1 414.531 4.101 20 5 HIBDMO CN(C(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000511083364 919686598 /nfs/dbraw/zinc/68/65/98/919686598.db2.gz YLMUIIOZGPVRIA-OAQYLSRUSA-N 1 1 403.429 4.120 20 5 HIBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496257 920105665 /nfs/dbraw/zinc/10/56/65/920105665.db2.gz UGRDPPXTAOTBAF-NVXWUHKLSA-N 1 1 416.547 4.235 20 5 HIBDMO COc1cc(C[N@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000511639466 920302870 /nfs/dbraw/zinc/30/28/70/920302870.db2.gz GSJBBHOXGVTKFG-LJQANCHMSA-N 1 1 400.475 4.183 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000511639466 920302896 /nfs/dbraw/zinc/30/28/96/920302896.db2.gz GSJBBHOXGVTKFG-LJQANCHMSA-N 1 1 400.475 4.183 20 5 HIBDMO C[C@@H]1C[C@@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@H+]1Cc1ccccc1 ZINC000511642884 920308202 /nfs/dbraw/zinc/30/82/02/920308202.db2.gz KNESGAHHTBJAHX-SJLPKXTDSA-N 1 1 408.502 4.192 20 5 HIBDMO Cc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000511752135 920430656 /nfs/dbraw/zinc/43/06/56/920430656.db2.gz IVZAIASLJOUHPE-XZOQPEGZSA-N 1 1 415.493 4.301 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000511760186 920440781 /nfs/dbraw/zinc/44/07/81/920440781.db2.gz WFWOAVIZTIROFH-LJQANCHMSA-N 1 1 401.894 4.279 20 5 HIBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511772070 920460644 /nfs/dbraw/zinc/46/06/44/920460644.db2.gz SBYTZZCYQBELEB-NRFANRHFSA-N 1 1 411.502 4.024 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)co2)cc1 ZINC000512295162 921050653 /nfs/dbraw/zinc/05/06/53/921050653.db2.gz SCYLLSSYFLQADM-XMMPIXPASA-N 1 1 418.497 4.348 20 5 HIBDMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000515072686 922894023 /nfs/dbraw/zinc/89/40/23/922894023.db2.gz SQZXUJBZYRLUDZ-CQSZACIVSA-N 1 1 400.866 4.458 20 5 HIBDMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000515072686 922894028 /nfs/dbraw/zinc/89/40/28/922894028.db2.gz SQZXUJBZYRLUDZ-CQSZACIVSA-N 1 1 400.866 4.458 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000515756607 923329211 /nfs/dbraw/zinc/32/92/11/923329211.db2.gz OTRPQBGVOBRMOA-HKUYNNGSSA-N 1 1 424.545 4.394 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000515756607 923329223 /nfs/dbraw/zinc/32/92/23/923329223.db2.gz OTRPQBGVOBRMOA-HKUYNNGSSA-N 1 1 424.545 4.394 20 5 HIBDMO CC(C)c1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)cc1[N+](=O)[O-] ZINC000517187656 924044034 /nfs/dbraw/zinc/04/40/34/924044034.db2.gz SUPAWLFVGUVYTH-OAQYLSRUSA-N 1 1 424.545 4.497 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000517537238 924251756 /nfs/dbraw/zinc/25/17/56/924251756.db2.gz MOTLWDPFSUDSQP-DHIUTWEWSA-N 1 1 417.513 4.164 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1 ZINC000517537238 924251766 /nfs/dbraw/zinc/25/17/66/924251766.db2.gz MOTLWDPFSUDSQP-DHIUTWEWSA-N 1 1 417.513 4.164 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[NH2+]CC2(N3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000517546092 924257330 /nfs/dbraw/zinc/25/73/30/924257330.db2.gz RDUXKCYPNNXQGU-UHFFFAOYSA-N 1 1 424.545 4.097 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCC[NH+]2CCCCC2)cc1 ZINC000520954811 928888407 /nfs/dbraw/zinc/88/84/07/928888407.db2.gz OWTCIBUOGLDARY-UHFFFAOYSA-N 1 1 405.502 4.023 20 5 HIBDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520964857 928893039 /nfs/dbraw/zinc/89/30/39/928893039.db2.gz APWWUBVILAJKKQ-CYBMUJFWSA-N 1 1 410.312 4.437 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)cc2)C1 ZINC000521064269 928969702 /nfs/dbraw/zinc/96/97/02/928969702.db2.gz BWJHLEDTWKDZOC-OAHLLOKOSA-N 1 1 420.469 4.333 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CCc3ccccn3)CC2)s1 ZINC000524547833 929678142 /nfs/dbraw/zinc/67/81/42/929678142.db2.gz PDSNOCLTFYRXNI-UHFFFAOYSA-N 1 1 408.527 4.079 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524653288 929765759 /nfs/dbraw/zinc/76/57/59/929765759.db2.gz SGBJYTIRPWHCDU-CZUORRHYSA-N 1 1 403.866 4.253 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000525057927 930009219 /nfs/dbraw/zinc/00/92/19/930009219.db2.gz YYRSBWDUSGEVPG-KKSFZXQISA-N 1 1 416.547 4.048 20 5 HIBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000525358286 930194479 /nfs/dbraw/zinc/19/44/79/930194479.db2.gz JRNFIYQYSZMYFQ-PXNSSMCTSA-N 1 1 410.518 4.465 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccs1 ZINC000525556058 930323886 /nfs/dbraw/zinc/32/38/86/930323886.db2.gz QBSJAFBOUZTOGO-IFXJQAMLSA-N 1 1 407.923 4.052 20 5 HIBDMO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n[nH]1 ZINC000532015696 931284919 /nfs/dbraw/zinc/28/49/19/931284919.db2.gz QDRAMJNJJYFCBC-NSHDSACASA-N 1 1 419.279 4.370 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000532651283 931569304 /nfs/dbraw/zinc/56/93/04/931569304.db2.gz QDFRNQQJIOYSNW-CTNGQTDRSA-N 1 1 424.545 4.217 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] ZINC000532690954 931586885 /nfs/dbraw/zinc/58/68/85/931586885.db2.gz LKUPERZWQHTRQC-INIZCTEOSA-N 1 1 412.421 4.172 20 5 HIBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000532693979 931589218 /nfs/dbraw/zinc/58/92/18/931589218.db2.gz DVZAHYVLUJGIGN-HOTGVXAUSA-N 1 1 400.454 4.329 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c2c(c1)COCO2 ZINC000532780109 931629407 /nfs/dbraw/zinc/62/94/07/931629407.db2.gz WMUMHTNKPLVLIA-CYBMUJFWSA-N 1 1 413.405 4.121 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000532904132 931686355 /nfs/dbraw/zinc/68/63/55/931686355.db2.gz FDFQYGUUKDCVTN-INIZCTEOSA-N 1 1 424.482 4.340 20 5 HIBDMO COc1ccccc1CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000532942995 931705599 /nfs/dbraw/zinc/70/55/99/931705599.db2.gz QFKHHTFBQITTNI-UHFFFAOYSA-N 1 1 408.458 4.108 20 5 HIBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000533024891 931742121 /nfs/dbraw/zinc/74/21/21/931742121.db2.gz IZVVVTLWWFLHOD-MRXNPFEDSA-N 1 1 415.490 4.236 20 5 HIBDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533033081 931747224 /nfs/dbraw/zinc/74/72/24/931747224.db2.gz UTTAJVKARGXCNH-ZDUSSCGKSA-N 1 1 412.471 4.196 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000533078251 931765185 /nfs/dbraw/zinc/76/51/85/931765185.db2.gz LGFSHWJRYLVMKQ-INIZCTEOSA-N 1 1 407.417 4.281 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000533078251 931765192 /nfs/dbraw/zinc/76/51/92/931765192.db2.gz LGFSHWJRYLVMKQ-INIZCTEOSA-N 1 1 407.417 4.281 20 5 HIBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000533369211 931850878 /nfs/dbraw/zinc/85/08/78/931850878.db2.gz BUDGLRLDAUUQTF-INIZCTEOSA-N 1 1 412.421 4.042 20 5 HIBDMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000533385334 931854632 /nfs/dbraw/zinc/85/46/32/931854632.db2.gz DGCRAXOTNJXXSC-JOCHJYFZSA-N 1 1 407.445 4.444 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000533385334 931854633 /nfs/dbraw/zinc/85/46/33/931854633.db2.gz DGCRAXOTNJXXSC-JOCHJYFZSA-N 1 1 407.445 4.444 20 5 HIBDMO Cn1cc([C@@H](CO)[NH2+]Cc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cn1 ZINC000533854524 932063181 /nfs/dbraw/zinc/06/31/81/932063181.db2.gz ZHXITWDXZAVTHX-HXUWFJFHSA-N 1 1 424.501 4.241 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534129283 932294062 /nfs/dbraw/zinc/29/40/62/932294062.db2.gz MWHBRYXQLHRLGJ-AEFFLSMTSA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534129283 932294074 /nfs/dbraw/zinc/29/40/74/932294074.db2.gz MWHBRYXQLHRLGJ-AEFFLSMTSA-N 1 1 405.907 4.145 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534228267 932348293 /nfs/dbraw/zinc/34/82/93/932348293.db2.gz HMHKBGXPMWOZGO-KUHUBIRLSA-N 1 1 405.857 4.119 20 5 HIBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000534245918 932363088 /nfs/dbraw/zinc/36/30/88/932363088.db2.gz UFCFAUXWNMPECF-UHFFFAOYSA-N 1 1 412.877 4.078 20 5 HIBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000534245918 932363095 /nfs/dbraw/zinc/36/30/95/932363095.db2.gz UFCFAUXWNMPECF-UHFFFAOYSA-N 1 1 412.877 4.078 20 5 HIBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@H](c1cccs1)c1ccccc1 ZINC000534509909 932539605 /nfs/dbraw/zinc/53/96/05/932539605.db2.gz PENLHCLVVXYTGR-QHCPKHFHSA-N 1 1 421.522 4.310 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@H+]1Cc1ccccc1 ZINC000534995800 932881118 /nfs/dbraw/zinc/88/11/18/932881118.db2.gz DGQOJPKQCKSIJD-SJLPKXTDSA-N 1 1 406.486 4.107 20 5 HIBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)nc2c1 ZINC000535665702 933310620 /nfs/dbraw/zinc/31/06/20/933310620.db2.gz LPCHLTMHNRIESJ-INIZCTEOSA-N 1 1 418.457 4.209 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)[nH]c2c1 ZINC000535665702 933310634 /nfs/dbraw/zinc/31/06/34/933310634.db2.gz LPCHLTMHNRIESJ-INIZCTEOSA-N 1 1 418.457 4.209 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)[nH]c2c1 ZINC000535665702 933310647 /nfs/dbraw/zinc/31/06/47/933310647.db2.gz LPCHLTMHNRIESJ-INIZCTEOSA-N 1 1 418.457 4.209 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000536009712 933567876 /nfs/dbraw/zinc/56/78/76/933567876.db2.gz KRTKZXBWZGSJQM-SFHVURJKSA-N 1 1 422.529 4.095 20 5 HIBDMO O=C1CCCN1C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000562509646 945095691 /nfs/dbraw/zinc/09/56/91/945095691.db2.gz CQBMCOZXUHSJEA-SFHVURJKSA-N 1 1 407.392 4.067 20 5 HIBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000537631463 938341290 /nfs/dbraw/zinc/34/12/90/938341290.db2.gz MXCALUMZEUDQHW-XLIONFOSSA-N 1 1 413.518 4.097 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)o2)c(Br)c1 ZINC000537647451 938345490 /nfs/dbraw/zinc/34/54/90/938345490.db2.gz QJCRFJCVTYNCQL-KGLIPLIRSA-N 1 1 421.291 4.476 20 5 HIBDMO CC[N@@H+](CCC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537848820 938389286 /nfs/dbraw/zinc/38/92/86/938389286.db2.gz AWINCPSDGJXKTM-UHFFFAOYSA-N 1 1 422.957 4.021 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000538149043 938521290 /nfs/dbraw/zinc/52/12/90/938521290.db2.gz GNXINERREZUQKB-OAHLLOKOSA-N 1 1 403.504 4.116 20 5 HIBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000538166653 938532752 /nfs/dbraw/zinc/53/27/52/938532752.db2.gz CCGRWSWLGABFOI-CQSZACIVSA-N 1 1 409.417 4.476 20 5 HIBDMO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)[NH+](C)C ZINC000538250881 938574425 /nfs/dbraw/zinc/57/44/25/938574425.db2.gz WWDGXZWBAGCWBG-GOSISDBHSA-N 1 1 417.531 4.137 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538720205 938689942 /nfs/dbraw/zinc/68/99/42/938689942.db2.gz MEKUMLOASOIZPJ-GOSISDBHSA-N 1 1 422.460 4.229 20 5 HIBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000538722188 938691178 /nfs/dbraw/zinc/69/11/78/938691178.db2.gz AYXXOFNPOOLHMR-OAHLLOKOSA-N 1 1 403.866 4.128 20 5 HIBDMO COc1cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538750460 938701679 /nfs/dbraw/zinc/70/16/79/938701679.db2.gz CPDMCVHPNSEJQM-DYVFJYSZSA-N 1 1 420.453 4.405 20 5 HIBDMO COc1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538750460 938701683 /nfs/dbraw/zinc/70/16/83/938701683.db2.gz CPDMCVHPNSEJQM-DYVFJYSZSA-N 1 1 420.453 4.405 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000538915900 938737481 /nfs/dbraw/zinc/73/74/81/938737481.db2.gz ANBLNVCDHGLQOC-KRWDZBQOSA-N 1 1 419.591 4.436 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000539276175 938831732 /nfs/dbraw/zinc/83/17/32/938831732.db2.gz DQDYCANKQPPZAV-CYBMUJFWSA-N 1 1 414.462 4.071 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000539376540 938851175 /nfs/dbraw/zinc/85/11/75/938851175.db2.gz JDMGQUJWLXECGP-NSHDSACASA-N 1 1 421.379 4.088 20 5 HIBDMO CCOc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539828498 938949324 /nfs/dbraw/zinc/94/93/24/938949324.db2.gz APNYOIXKNBRHFU-LPHOPBHVSA-N 1 1 416.522 4.198 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540343311 939200661 /nfs/dbraw/zinc/20/06/61/939200661.db2.gz ZXQVQAKLLZGTEA-SECBINFHSA-N 1 1 416.236 4.339 20 5 HIBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541696459 939607569 /nfs/dbraw/zinc/60/75/69/939607569.db2.gz JHPPYLCHVHJMCM-KXBFYZLASA-N 1 1 421.856 4.178 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1OC ZINC000541983888 939670214 /nfs/dbraw/zinc/67/02/14/939670214.db2.gz KVAMHDHCCMYXEF-OAHLLOKOSA-N 1 1 402.495 4.131 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730453 945269946 /nfs/dbraw/zinc/26/99/46/945269946.db2.gz HROSFGPRVWZTRL-YADHBBJMSA-N 1 1 411.502 4.330 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730453 945269989 /nfs/dbraw/zinc/26/99/89/945269989.db2.gz HROSFGPRVWZTRL-YADHBBJMSA-N 1 1 411.502 4.330 20 5 HIBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000542463668 939827610 /nfs/dbraw/zinc/82/76/10/939827610.db2.gz IKMOZRIWLIKHMK-UHFFFAOYSA-N 1 1 405.882 4.387 20 5 HIBDMO C[C@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000542529845 939838112 /nfs/dbraw/zinc/83/81/12/939838112.db2.gz VGMGPIFBJDTBHM-DVSDUFGPSA-N 1 1 413.493 4.110 20 5 HIBDMO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000542590702 939846877 /nfs/dbraw/zinc/84/68/77/939846877.db2.gz SRMRWVYPHWSJMW-KBXCAEBGSA-N 1 1 408.483 4.174 20 5 HIBDMO C[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542613328 939848510 /nfs/dbraw/zinc/84/85/10/939848510.db2.gz SVGQJGPUHYSRGX-IRXDYDNUSA-N 1 1 413.493 4.386 20 5 HIBDMO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000542962448 939887003 /nfs/dbraw/zinc/88/70/03/939887003.db2.gz QJNMSYOOXYDCDJ-QFBILLFUSA-N 1 1 412.490 4.120 20 5 HIBDMO CCc1ccc([C@@H](NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422833 940060175 /nfs/dbraw/zinc/06/01/75/940060175.db2.gz NOWLQDYXOXYJKH-IXFSTUDKSA-N 1 1 415.534 4.319 20 5 HIBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560274 940108408 /nfs/dbraw/zinc/10/84/08/940108408.db2.gz ZRBRHENBKUAAMQ-MJGOQNOKSA-N 1 1 412.421 4.136 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000543642588 940147075 /nfs/dbraw/zinc/14/70/75/940147075.db2.gz SIBVYYMVVRUZJO-WBVHZDCISA-N 1 1 400.454 4.156 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1OC ZINC000543813531 940194780 /nfs/dbraw/zinc/19/47/80/940194780.db2.gz GPXBXTNFUMKAGU-APWZRJJASA-N 1 1 406.523 4.419 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000544106532 940327855 /nfs/dbraw/zinc/32/78/55/940327855.db2.gz OZTOVTQZSYHSKN-YWZLYKJASA-N 1 1 413.474 4.024 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000544106532 940327859 /nfs/dbraw/zinc/32/78/59/940327859.db2.gz OZTOVTQZSYHSKN-YWZLYKJASA-N 1 1 413.474 4.024 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]CCOc2cccc(NC(C)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544379392 940407292 /nfs/dbraw/zinc/40/72/92/940407292.db2.gz CNCHVTXANYZBGM-QHCPKHFHSA-N 1 1 423.469 4.467 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)cc1F ZINC000544410420 940416151 /nfs/dbraw/zinc/41/61/51/940416151.db2.gz NZQVDIYULYWWOD-UHFFFAOYSA-N 1 1 420.242 4.306 20 5 HIBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544551471 940477670 /nfs/dbraw/zinc/47/76/70/940477670.db2.gz ASGOQSCKELDABM-RQUSPXKASA-N 1 1 405.857 4.052 20 5 HIBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544551471 940477671 /nfs/dbraw/zinc/47/76/71/940477671.db2.gz ASGOQSCKELDABM-RQUSPXKASA-N 1 1 405.857 4.052 20 5 HIBDMO CC[C@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000544760544 940511378 /nfs/dbraw/zinc/51/13/78/940511378.db2.gz AHGXZAVHFDYQHC-PXNSSMCTSA-N 1 1 421.501 4.302 20 5 HIBDMO C[N@H+]1CCCN(c2ccc(-c3noc(-c4ccccc4[N+](=O)[O-])n3)cc2Cl)CC1 ZINC000547189042 941025645 /nfs/dbraw/zinc/02/56/45/941025645.db2.gz PDAMWECCJJDKSW-UHFFFAOYSA-N 1 1 413.865 4.107 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000548960425 941134460 /nfs/dbraw/zinc/13/44/60/941134460.db2.gz FTKNLFUGVFIIRT-FQEVSTJZSA-N 1 1 417.893 4.214 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000548974385 941136924 /nfs/dbraw/zinc/13/69/24/941136924.db2.gz KCYCCUMVLWWFHN-QGZVFWFLSA-N 1 1 411.502 4.155 20 5 HIBDMO Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549171871 941168158 /nfs/dbraw/zinc/16/81/58/941168158.db2.gz NUPQFLHBMQZDAJ-MRXNPFEDSA-N 1 1 409.408 4.101 20 5 HIBDMO COc1ccc(OCc2ccccn2)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549808353 941207909 /nfs/dbraw/zinc/20/79/09/941207909.db2.gz NBIGIQMUFIMZDU-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000550970522 941388305 /nfs/dbraw/zinc/38/83/05/941388305.db2.gz MPIUOFPRSVZEAP-QUCCMNQESA-N 1 1 409.530 4.384 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000551822263 941553218 /nfs/dbraw/zinc/55/32/18/941553218.db2.gz BBJPDPCRBWKZJM-INTAXFPDSA-N 1 1 422.529 4.276 20 5 HIBDMO Cn1ccnc1[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068045 941578393 /nfs/dbraw/zinc/57/83/93/941578393.db2.gz GLHCUOGRIVDVRT-VWNXMTODSA-N 1 1 419.529 4.062 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552066555 941578473 /nfs/dbraw/zinc/57/84/73/941578473.db2.gz NTHQXBZOAGUXSL-BHIFYINESA-N 1 1 420.513 4.391 20 5 HIBDMO CC(C)(C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000552110484 941587016 /nfs/dbraw/zinc/58/70/16/941587016.db2.gz POGFJRQEAHKYEU-LJQANCHMSA-N 1 1 407.470 4.113 20 5 HIBDMO CCc1oc2ccccc2c1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000552501707 941689307 /nfs/dbraw/zinc/68/93/07/941689307.db2.gz FWXJQQMRSUTQME-UHFFFAOYSA-N 1 1 411.458 4.373 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000553313648 941865967 /nfs/dbraw/zinc/86/59/67/941865967.db2.gz UDCBTRDAZSYPGY-OAQYLSRUSA-N 1 1 419.481 4.389 20 5 HIBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000554740983 942216925 /nfs/dbraw/zinc/21/69/25/942216925.db2.gz FQGYWQRQQWNRPP-IBGZPJMESA-N 1 1 401.463 4.024 20 5 HIBDMO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000554969834 942337509 /nfs/dbraw/zinc/33/75/09/942337509.db2.gz YMUQUYJPCIAXAH-ZUZCIYMTSA-N 1 1 412.227 4.206 20 5 HIBDMO CC(C)(C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000557460099 943140483 /nfs/dbraw/zinc/14/04/83/943140483.db2.gz UKSDUAGYVKNNIH-HXUWFJFHSA-N 1 1 407.470 4.113 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000557837534 943309390 /nfs/dbraw/zinc/30/93/90/943309390.db2.gz OMDPULRUNVWTGK-INIZCTEOSA-N 1 1 405.564 4.289 20 5 HIBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000558040244 943364021 /nfs/dbraw/zinc/36/40/21/943364021.db2.gz NMPZVWTVAURURO-JOCHJYFZSA-N 1 1 424.545 4.079 20 5 HIBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000559395946 943931553 /nfs/dbraw/zinc/93/15/53/943931553.db2.gz XOHLGOLIYANSOL-LJQANCHMSA-N 1 1 421.501 4.055 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559824164 944060853 /nfs/dbraw/zinc/06/08/53/944060853.db2.gz HRNQFGRTRQMZSB-GJZGRUSLSA-N 1 1 413.440 4.340 20 5 HIBDMO CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000560045679 944138780 /nfs/dbraw/zinc/13/87/80/944138780.db2.gz DOGHRZMJCPZWHI-INIZCTEOSA-N 1 1 421.419 4.350 20 5 HIBDMO CCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000560553888 944252194 /nfs/dbraw/zinc/25/21/94/944252194.db2.gz NQBLRODCKCWFTN-XWIAVFTESA-N 1 1 414.449 4.230 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](O)C23CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560570022 944258192 /nfs/dbraw/zinc/25/81/92/944258192.db2.gz ZXCQUTIJRRLVEA-JOCHJYFZSA-N 1 1 412.486 4.062 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CO)CC3)o2)c(Br)c1 ZINC000560628896 944279875 /nfs/dbraw/zinc/27/98/75/944279875.db2.gz JBRJVQVLGKJCNN-CYBMUJFWSA-N 1 1 409.280 4.212 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)c1 ZINC000561110245 944459221 /nfs/dbraw/zinc/45/92/21/944459221.db2.gz SERHNCPRVUKOAR-UHFFFAOYSA-N 1 1 418.453 4.204 20 5 HIBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCC(CO)CC1 ZINC000564325694 945516504 /nfs/dbraw/zinc/51/65/04/945516504.db2.gz OIOKHQFSPMGNKQ-UHFFFAOYSA-N 1 1 420.513 4.430 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000570067568 947083811 /nfs/dbraw/zinc/08/38/11/947083811.db2.gz WWXVLQODKNLVKO-SESVDKBCSA-N 1 1 410.449 4.067 20 5 HIBDMO O=[N+]([O-])c1cccc(Oc2ccc(-c3noc([C@H]4CCc5[nH+]ccn5C4)n3)cc2)c1 ZINC000571225237 947553343 /nfs/dbraw/zinc/55/33/43/947553343.db2.gz CDNOYOSXJQBTHZ-HNNXBMFYSA-N 1 1 403.398 4.364 20 5 HIBDMO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000571870337 947806572 /nfs/dbraw/zinc/80/65/72/947806572.db2.gz HCEQKIROFMVTSX-GFCCVEGCSA-N 1 1 411.243 4.178 20 5 HIBDMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000571870337 947806573 /nfs/dbraw/zinc/80/65/73/947806573.db2.gz HCEQKIROFMVTSX-GFCCVEGCSA-N 1 1 411.243 4.178 20 5 HIBDMO COc1ccc(C(C)(C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000572229195 947867998 /nfs/dbraw/zinc/86/79/98/947867998.db2.gz NXDKALFMCLHUCM-NRFANRHFSA-N 1 1 424.501 4.002 20 5 HIBDMO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000573633072 948259295 /nfs/dbraw/zinc/25/92/95/948259295.db2.gz XXFWSMPUKFPWHF-JZWVFAODSA-N 1 1 419.529 4.060 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000574243675 948397008 /nfs/dbraw/zinc/39/70/08/948397008.db2.gz RZBQDIUNPWWHKJ-RBUKOAKNSA-N 1 1 422.407 4.358 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000574243675 948397012 /nfs/dbraw/zinc/39/70/12/948397012.db2.gz RZBQDIUNPWWHKJ-RBUKOAKNSA-N 1 1 422.407 4.358 20 5 HIBDMO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574438216 948441901 /nfs/dbraw/zinc/44/19/01/948441901.db2.gz GPMCJXCPMFGEBE-ZBFHGGJFSA-N 1 1 421.419 4.254 20 5 HIBDMO C[C@@H]1CN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC001164635847 719255563 /nfs/dbraw/zinc/25/55/63/719255563.db2.gz QRZQFPUQEZCMLE-SJORKVTESA-N 1 1 406.486 4.251 20 5 HIBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164634598 719257572 /nfs/dbraw/zinc/25/75/72/719257572.db2.gz NGRNHEQUVPNOMA-QWHCGFSZSA-N 1 1 410.852 4.384 20 5 HIBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164634598 719257577 /nfs/dbraw/zinc/25/75/77/719257577.db2.gz NGRNHEQUVPNOMA-QWHCGFSZSA-N 1 1 410.852 4.384 20 5 HIBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)ccc21 ZINC001164722524 720398739 /nfs/dbraw/zinc/39/87/39/720398739.db2.gz DDIFCVWQTLNANX-RTBURBONSA-N 1 1 409.877 4.045 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731091 720479842 /nfs/dbraw/zinc/47/98/42/720479842.db2.gz VPVAABMCAAKCTL-PMACEKPBSA-N 1 1 419.460 4.044 20 5 HIBDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436091168 861370578 /nfs/dbraw/zinc/37/05/78/861370578.db2.gz UBIGPFYNXUUJLS-HXUWFJFHSA-N 1 1 411.505 4.076 20 5 HIBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436091168 861370583 /nfs/dbraw/zinc/37/05/83/861370583.db2.gz UBIGPFYNXUUJLS-HXUWFJFHSA-N 1 1 411.505 4.076 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000003541905 845036171 /nfs/dbraw/zinc/03/61/71/845036171.db2.gz QYGHEDOINFQYGM-LLVKDONJSA-N 1 1 412.273 4.369 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000003541905 845036178 /nfs/dbraw/zinc/03/61/78/845036178.db2.gz QYGHEDOINFQYGM-LLVKDONJSA-N 1 1 412.273 4.369 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436246098 861556588 /nfs/dbraw/zinc/55/65/88/861556588.db2.gz JFLCQPGTDSGJFP-SCTDSRPQSA-N 1 1 403.526 4.159 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000015504608 846055194 /nfs/dbraw/zinc/05/51/94/846055194.db2.gz QGNYQRNVQFETDO-INIZCTEOSA-N 1 1 412.490 4.279 20 5 HIBDMO Cc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000017356533 846249453 /nfs/dbraw/zinc/24/94/53/846249453.db2.gz JCRIYJGUAJXZEC-UHFFFAOYSA-N 1 1 415.493 4.451 20 5 HIBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000027388674 847294337 /nfs/dbraw/zinc/29/43/37/847294337.db2.gz GJHGZJWXJNIYHL-UHFFFAOYSA-N 1 1 409.511 4.466 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000029829418 847628254 /nfs/dbraw/zinc/62/82/54/847628254.db2.gz OSXSQVIVLVVSQU-JKSUJKDBSA-N 1 1 408.458 4.251 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000029829418 847628260 /nfs/dbraw/zinc/62/82/60/847628260.db2.gz OSXSQVIVLVVSQU-JKSUJKDBSA-N 1 1 408.458 4.251 20 5 HIBDMO CC[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000029909773 847648004 /nfs/dbraw/zinc/64/80/04/847648004.db2.gz NAXHKGRLIPXNMR-VQIMIIECSA-N 1 1 413.543 4.029 20 5 HIBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132242 849434511 /nfs/dbraw/zinc/43/45/11/849434511.db2.gz CURUIXZJRQGJKN-WIYYLYMNSA-N 1 1 408.458 4.245 20 5 HIBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133551 849436084 /nfs/dbraw/zinc/43/60/84/849436084.db2.gz PGXWCHJGIYSUNC-GHTZIAJQSA-N 1 1 408.458 4.245 20 5 HIBDMO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000052310078 849569886 /nfs/dbraw/zinc/56/98/86/849569886.db2.gz VSOZZZPHPJXLEU-UHFFFAOYSA-N 1 1 412.273 4.241 20 5 HIBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000052310078 849569893 /nfs/dbraw/zinc/56/98/93/849569893.db2.gz VSOZZZPHPJXLEU-UHFFFAOYSA-N 1 1 412.273 4.241 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000052611812 849601225 /nfs/dbraw/zinc/60/12/25/849601225.db2.gz WFDIWLDVQNYLEZ-HNNXBMFYSA-N 1 1 405.414 4.166 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C2CC2)cc1 ZINC000052867107 849636260 /nfs/dbraw/zinc/63/62/60/849636260.db2.gz JLMVANCUJMJFKS-HNNXBMFYSA-N 1 1 408.458 4.454 20 5 HIBDMO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000055941515 850210334 /nfs/dbraw/zinc/21/03/34/850210334.db2.gz IHPSGIVCYGDKNH-OPAMFIHVSA-N 1 1 405.454 4.310 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000060269511 851057205 /nfs/dbraw/zinc/05/72/05/851057205.db2.gz NXIWYVBVHHHKNJ-HXUWFJFHSA-N 1 1 415.465 4.052 20 5 HIBDMO C[C@H]1CCCN(c2ccc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000060691633 851192125 /nfs/dbraw/zinc/19/21/25/851192125.db2.gz OQHBCGZRMZWKGT-OALUTQOASA-N 1 1 416.566 4.216 20 5 HIBDMO CCCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000061556328 851403451 /nfs/dbraw/zinc/40/34/51/851403451.db2.gz ODJWBTLQYGRQOO-UHFFFAOYSA-N 1 1 419.529 4.412 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000437046556 862239793 /nfs/dbraw/zinc/23/97/93/862239793.db2.gz NPDBNQWSFHBNPW-KBXCAEBGSA-N 1 1 421.419 4.397 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065101917 852063588 /nfs/dbraw/zinc/06/35/88/852063588.db2.gz KSQVBCHQAFOHHW-HNNXBMFYSA-N 1 1 402.520 4.103 20 5 HIBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000065115470 852068217 /nfs/dbraw/zinc/06/82/17/852068217.db2.gz XNMVRFXGXJWQQV-UHFFFAOYSA-N 1 1 410.499 4.100 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)C[C@H](C)O1 ZINC000071952669 852443884 /nfs/dbraw/zinc/44/38/84/852443884.db2.gz XFKOAZHYGRMTNE-CALCHBBNSA-N 1 1 406.486 4.364 20 5 HIBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc2ccccc2c2cccnc12 ZINC000108641096 852867102 /nfs/dbraw/zinc/86/71/02/852867102.db2.gz BGHCKUVXXHVEOT-UHFFFAOYSA-N 1 1 411.505 4.150 20 5 HIBDMO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000108971726 852901365 /nfs/dbraw/zinc/90/13/65/852901365.db2.gz RVAJOKULMFJADT-OAHLLOKOSA-N 1 1 422.485 4.291 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000109305974 852949552 /nfs/dbraw/zinc/94/95/52/852949552.db2.gz VUDMXOBTTRFDKP-IEBWSBKVSA-N 1 1 413.543 4.104 20 5 HIBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110478368 853105534 /nfs/dbraw/zinc/10/55/34/853105534.db2.gz WFBDVOZZKULIMK-MRXNPFEDSA-N 1 1 412.421 4.042 20 5 HIBDMO C[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000110695617 853139325 /nfs/dbraw/zinc/13/93/25/853139325.db2.gz GICYKXZAAPYSPP-CQSZACIVSA-N 1 1 416.909 4.073 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000138450606 853386075 /nfs/dbraw/zinc/38/60/75/853386075.db2.gz SIQCRQLMZVUJMG-HNNXBMFYSA-N 1 1 419.909 4.172 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000217230519 853861370 /nfs/dbraw/zinc/86/13/70/853861370.db2.gz HZWBXDMDQKMWMX-DYVFJYSZSA-N 1 1 411.380 4.020 20 5 HIBDMO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000236807416 853925571 /nfs/dbraw/zinc/92/55/71/853925571.db2.gz QUCMWAZRYJYMFI-UHFFFAOYSA-N 1 1 408.401 4.441 20 5 HIBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000236981042 853946554 /nfs/dbraw/zinc/94/65/54/853946554.db2.gz NGESWLUIWPVPAX-QGZVFWFLSA-N 1 1 400.498 4.035 20 5 HIBDMO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236983949 853947549 /nfs/dbraw/zinc/94/75/49/853947549.db2.gz FWKRTXSUKIGWBF-NWDGAFQWSA-N 1 1 424.295 4.010 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000237194473 853979509 /nfs/dbraw/zinc/97/95/09/853979509.db2.gz KFKYEWOAOJFVBC-SFHVURJKSA-N 1 1 406.866 4.104 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000237199241 853979532 /nfs/dbraw/zinc/97/95/32/853979532.db2.gz SWZMMFMFVCCYRA-UHFFFAOYSA-N 1 1 414.893 4.408 20 5 HIBDMO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1nnnn1-c1ccccc1 ZINC000237435052 854032462 /nfs/dbraw/zinc/03/24/62/854032462.db2.gz CDHMTVQIFQUEKK-CQSZACIVSA-N 1 1 406.471 4.150 20 5 HIBDMO O=C1CCCN1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000237694953 854077059 /nfs/dbraw/zinc/07/70/59/854077059.db2.gz FIPLDASPKHKAGK-SFHVURJKSA-N 1 1 407.392 4.067 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437279822 862529196 /nfs/dbraw/zinc/52/91/96/862529196.db2.gz FOWXSMTUBZGDLL-LSDHHAIUSA-N 1 1 413.440 4.340 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccc(Cn4ccnc4)cc3)cs2)c1 ZINC000238008746 854132515 /nfs/dbraw/zinc/13/25/15/854132515.db2.gz NULXLJHGXFBCJK-UHFFFAOYSA-N 1 1 405.483 4.253 20 5 HIBDMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000437288230 862542012 /nfs/dbraw/zinc/54/20/12/862542012.db2.gz MMFHUBDZQRBHCX-MRXNPFEDSA-N 1 1 405.376 4.238 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)C1 ZINC000301083194 854290819 /nfs/dbraw/zinc/29/08/19/854290819.db2.gz GTVLEIYOPBINHP-HNNXBMFYSA-N 1 1 407.474 4.088 20 5 HIBDMO C[N@@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301856412 854477440 /nfs/dbraw/zinc/47/74/40/854477440.db2.gz RKSONMWRNZVUQG-QRWLVFNGSA-N 1 1 418.856 4.129 20 5 HIBDMO C[N@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301856412 854477443 /nfs/dbraw/zinc/47/74/43/854477443.db2.gz RKSONMWRNZVUQG-QRWLVFNGSA-N 1 1 418.856 4.129 20 5 HIBDMO Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c2cccc([N+](=O)[O-])c2n1 ZINC000302882210 854666387 /nfs/dbraw/zinc/66/63/87/854666387.db2.gz JREKACPLIGHOBC-IBGZPJMESA-N 1 1 406.486 4.020 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303068822 854746573 /nfs/dbraw/zinc/74/65/73/854746573.db2.gz OAVYGDDTWHMIAC-OAQYLSRUSA-N 1 1 421.522 4.494 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303068822 854746581 /nfs/dbraw/zinc/74/65/81/854746581.db2.gz OAVYGDDTWHMIAC-OAQYLSRUSA-N 1 1 421.522 4.494 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303539584 855024955 /nfs/dbraw/zinc/02/49/55/855024955.db2.gz HPPAFGWVMVQIJK-MRXNPFEDSA-N 1 1 422.407 4.318 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000303594565 855067531 /nfs/dbraw/zinc/06/75/31/855067531.db2.gz WDDLYHBOLCGGJB-OAHLLOKOSA-N 1 1 410.946 4.019 20 5 HIBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000426733556 856442119 /nfs/dbraw/zinc/44/21/19/856442119.db2.gz YNVCRYCJKCSWIH-LLVKDONJSA-N 1 1 403.287 4.026 20 5 HIBDMO C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000437464968 862828190 /nfs/dbraw/zinc/82/81/90/862828190.db2.gz ZBFFUMQAJOXCBS-HNNXBMFYSA-N 1 1 421.419 4.350 20 5 HIBDMO C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000437464971 862828262 /nfs/dbraw/zinc/82/82/62/862828262.db2.gz ZBFFUMQAJOXCBS-OAHLLOKOSA-N 1 1 421.419 4.350 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)C[C@H](C)O1 ZINC000427594742 856882282 /nfs/dbraw/zinc/88/22/82/856882282.db2.gz RGIBUTVSKIQCLX-HDICACEKSA-N 1 1 423.513 4.009 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)C[C@H](C)O1 ZINC000427594742 856882287 /nfs/dbraw/zinc/88/22/87/856882287.db2.gz RGIBUTVSKIQCLX-HDICACEKSA-N 1 1 423.513 4.009 20 5 HIBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000428533639 857247028 /nfs/dbraw/zinc/24/70/28/857247028.db2.gz DOCYYVMGYLKMKN-UHFFFAOYSA-N 1 1 420.874 4.202 20 5 HIBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437585368 862899253 /nfs/dbraw/zinc/89/92/53/862899253.db2.gz WBBDXNCMYXJOCE-INIZCTEOSA-N 1 1 402.882 4.234 20 5 HIBDMO CC(C)([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000429258097 857578770 /nfs/dbraw/zinc/57/87/70/857578770.db2.gz VELJVAMVACCPPJ-UHFFFAOYSA-N 1 1 413.808 4.313 20 5 HIBDMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429259421 857579719 /nfs/dbraw/zinc/57/97/19/857579719.db2.gz YAXVZDXSEZDPRE-HXUWFJFHSA-N 1 1 411.502 4.182 20 5 HIBDMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430228808 858089793 /nfs/dbraw/zinc/08/97/93/858089793.db2.gz VUSLLHSRSGGRFV-UHFFFAOYSA-N 1 1 417.531 4.182 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)O[C@@]4(CCO[C@H](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430765694 858296351 /nfs/dbraw/zinc/29/63/51/858296351.db2.gz GGEKLFBBSPZTOV-ZMPRRUGASA-N 1 1 416.474 4.022 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1Cl ZINC000437699442 863034670 /nfs/dbraw/zinc/03/46/70/863034670.db2.gz KVOMCVIDQXWNKW-FQEVSTJZSA-N 1 1 416.909 4.225 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431682653 858737480 /nfs/dbraw/zinc/73/74/80/858737480.db2.gz UGSZYNGKTQWZMI-UTKZUKDTSA-N 1 1 410.518 4.040 20 5 HIBDMO CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000431692905 858743170 /nfs/dbraw/zinc/74/31/70/858743170.db2.gz QUYIMEANFUOTLL-WEYGHZABSA-N 1 1 410.518 4.398 20 5 HIBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000431781476 858808490 /nfs/dbraw/zinc/80/84/90/858808490.db2.gz ALADMGXPTNKRHU-UHFFFAOYSA-N 1 1 424.339 4.086 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000432003495 858918121 /nfs/dbraw/zinc/91/81/21/858918121.db2.gz QXJFYGZREYAIPB-CQSZACIVSA-N 1 1 405.458 4.154 20 5 HIBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000434316634 860276996 /nfs/dbraw/zinc/27/69/96/860276996.db2.gz NFTYMRIVXKEUNX-FQEVSTJZSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000434845870 860519455 /nfs/dbraw/zinc/51/94/55/860519455.db2.gz JNWBLUJIURCZAZ-INIZCTEOSA-N 1 1 423.473 4.078 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000434845870 860519459 /nfs/dbraw/zinc/51/94/59/860519459.db2.gz JNWBLUJIURCZAZ-INIZCTEOSA-N 1 1 423.473 4.078 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437999007 863361193 /nfs/dbraw/zinc/36/11/93/863361193.db2.gz NSKMAJRXMMMBOC-PGRDOPGGSA-N 1 1 422.529 4.179 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437999003 863361461 /nfs/dbraw/zinc/36/14/61/863361461.db2.gz NSKMAJRXMMMBOC-AVRDEDQJSA-N 1 1 422.529 4.179 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438320108 863798912 /nfs/dbraw/zinc/79/89/12/863798912.db2.gz BULWUUUAXDAVTR-HXUWFJFHSA-N 1 1 400.523 4.066 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000440925099 866021912 /nfs/dbraw/zinc/02/19/12/866021912.db2.gz KXPCHTBPXJWUHQ-BBRMVZONSA-N 1 1 415.877 4.396 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@]3(CO)CCOc4ccccc43)o2)c(Cl)c1 ZINC000441357838 866426087 /nfs/dbraw/zinc/42/60/87/866426087.db2.gz NDQSUCBZGMLCAY-OAQYLSRUSA-N 1 1 414.845 4.268 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1Br ZINC000468185764 882061904 /nfs/dbraw/zinc/06/19/04/882061904.db2.gz HTHGEHBGIUYFKW-UHFFFAOYSA-N 1 1 424.320 4.150 20 5 HIBDMO O=C1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C1CCCCC1 ZINC000442990691 867780949 /nfs/dbraw/zinc/78/09/49/867780949.db2.gz KGCQMVAMFFZDBN-LJQANCHMSA-N 1 1 414.531 4.132 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638460 868221780 /nfs/dbraw/zinc/22/17/80/868221780.db2.gz INDBJJITDKOWCT-AWEZNQCLSA-N 1 1 412.421 4.002 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638460 868221799 /nfs/dbraw/zinc/22/17/99/868221799.db2.gz INDBJJITDKOWCT-AWEZNQCLSA-N 1 1 412.421 4.002 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)n2)c1 ZINC000443641478 868224474 /nfs/dbraw/zinc/22/44/74/868224474.db2.gz PTVIFCASXZHSTH-AWEZNQCLSA-N 1 1 423.404 4.305 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)n2)c1 ZINC000443641478 868224488 /nfs/dbraw/zinc/22/44/88/868224488.db2.gz PTVIFCASXZHSTH-AWEZNQCLSA-N 1 1 423.404 4.305 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443946469 868482565 /nfs/dbraw/zinc/48/25/65/868482565.db2.gz MKPCUJWFXNVZKE-LJQANCHMSA-N 1 1 411.506 4.125 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000443961508 868495162 /nfs/dbraw/zinc/49/51/62/868495162.db2.gz PWTXYUNEIGCWNZ-KXBFYZLASA-N 1 1 402.520 4.478 20 5 HIBDMO Cc1ccc(C)c([C@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[C@@H](C)CO2)c1 ZINC000444199767 868661494 /nfs/dbraw/zinc/66/14/94/868661494.db2.gz SAGKRHIJXQMVLK-HTAPYJJXSA-N 1 1 411.502 4.311 20 5 HIBDMO Cc1ccc(C)c([C@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[C@@H](C)CO2)c1 ZINC000444199767 868661500 /nfs/dbraw/zinc/66/15/00/868661500.db2.gz SAGKRHIJXQMVLK-HTAPYJJXSA-N 1 1 411.502 4.311 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000444600274 868897930 /nfs/dbraw/zinc/89/79/30/868897930.db2.gz SZHXRZAPFGQXPT-HNNXBMFYSA-N 1 1 407.474 4.384 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000444656934 868934969 /nfs/dbraw/zinc/93/49/69/868934969.db2.gz IVIVBEOFMLZCRA-NWDGAFQWSA-N 1 1 403.389 4.017 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000444661047 868938716 /nfs/dbraw/zinc/93/87/16/868938716.db2.gz HDOWYZFWASVODY-CHWSQXEVSA-N 1 1 417.416 4.326 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444664603 868943946 /nfs/dbraw/zinc/94/39/46/868943946.db2.gz MSZCIRWKUSYZMX-NWDGAFQWSA-N 1 1 403.389 4.017 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000444803071 869017448 /nfs/dbraw/zinc/01/74/48/869017448.db2.gz NCVADBZIVTYYBG-DLBZAZTESA-N 1 1 416.522 4.141 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000444911449 869099064 /nfs/dbraw/zinc/09/90/64/869099064.db2.gz ZPGFCVKFIGYUNC-INIZCTEOSA-N 1 1 404.511 4.112 20 5 HIBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(Cl)cc2I)c1 ZINC000446836851 870755082 /nfs/dbraw/zinc/75/50/82/870755082.db2.gz TUMBIUABAGLRSL-UHFFFAOYSA-N 1 1 402.619 4.143 20 5 HIBDMO O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000447378054 871285169 /nfs/dbraw/zinc/28/51/69/871285169.db2.gz ZKRRTEHQAUHMFA-LBPRGKRZSA-N 1 1 422.304 4.044 20 5 HIBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448362029 872311210 /nfs/dbraw/zinc/31/12/10/872311210.db2.gz ZDBNQPSUNPFFIA-LAUBAEHRSA-N 1 1 414.502 4.308 20 5 HIBDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000468855824 882892265 /nfs/dbraw/zinc/89/22/65/882892265.db2.gz GLHYAWQUEIFHOS-AWEZNQCLSA-N 1 1 410.499 4.319 20 5 HIBDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000468855824 882892267 /nfs/dbraw/zinc/89/22/67/882892267.db2.gz GLHYAWQUEIFHOS-AWEZNQCLSA-N 1 1 410.499 4.319 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462614411 875726615 /nfs/dbraw/zinc/72/66/15/875726615.db2.gz MCCJQOCRAMPOKF-QIJUGHKUSA-N 1 1 409.530 4.190 20 5 HIBDMO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885775 875913506 /nfs/dbraw/zinc/91/35/06/875913506.db2.gz UGCPYMKMWWTVBR-UWJYYQICSA-N 1 1 423.542 4.339 20 5 HIBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC000462945374 875966593 /nfs/dbraw/zinc/96/65/93/875966593.db2.gz OTAIJYVHJUCSLI-GOSISDBHSA-N 1 1 410.518 4.324 20 5 HIBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000463197909 876258734 /nfs/dbraw/zinc/25/87/34/876258734.db2.gz KIGDQUICCLSKAO-RCOXNQKVSA-N 1 1 413.518 4.444 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)o2)c1 ZINC000463448954 876507965 /nfs/dbraw/zinc/50/79/65/876507965.db2.gz INIWTKFXELLFLJ-XMMPIXPASA-N 1 1 421.497 4.110 20 5 HIBDMO COc1ccc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000464593511 877819938 /nfs/dbraw/zinc/81/99/38/877819938.db2.gz CLJBUWVZUMZXQS-UHFFFAOYSA-N 1 1 400.475 4.054 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464833964 878093735 /nfs/dbraw/zinc/09/37/35/878093735.db2.gz OSGQSIUOLUYONV-RDTXWAMCSA-N 1 1 401.463 4.307 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464952417 878289969 /nfs/dbraw/zinc/28/99/69/878289969.db2.gz NKKVHUCKMDDWAM-KRWDZBQOSA-N 1 1 401.894 4.232 20 5 HIBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000465977716 879648745 /nfs/dbraw/zinc/64/87/45/879648745.db2.gz HUKZDDDWPKIVGP-QFIPXVFZSA-N 1 1 424.545 4.081 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccncc3OCC(F)(F)F)o2)cc1 ZINC000466413303 880181419 /nfs/dbraw/zinc/18/14/19/880181419.db2.gz GJGUCCHCWCJDDS-UHFFFAOYSA-N 1 1 407.348 4.481 20 5 HIBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000466812799 880587682 /nfs/dbraw/zinc/58/76/82/880587682.db2.gz LZCUJUBEGMCZPV-ZDUSSCGKSA-N 1 1 405.907 4.081 20 5 HIBDMO C[N@H+](CC[C@H]1CCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467153357 880889560 /nfs/dbraw/zinc/88/95/60/880889560.db2.gz AYQSFVLCBFJEQZ-YLJYHZDGSA-N 1 1 417.893 4.429 20 5 HIBDMO C[N@@H+](CC[C@H]1CCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467153357 880889562 /nfs/dbraw/zinc/88/95/62/880889562.db2.gz AYQSFVLCBFJEQZ-YLJYHZDGSA-N 1 1 417.893 4.429 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469459954 883669630 /nfs/dbraw/zinc/66/96/30/883669630.db2.gz ZXIVGTSCKBRIPM-GXTWGEPZSA-N 1 1 400.385 4.474 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469459954 883669639 /nfs/dbraw/zinc/66/96/39/883669639.db2.gz ZXIVGTSCKBRIPM-GXTWGEPZSA-N 1 1 400.385 4.474 20 5 HIBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470171140 884449764 /nfs/dbraw/zinc/44/97/64/884449764.db2.gz GBJOFKIDVYMCNF-MJSCBBHESA-N 1 1 413.440 4.121 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000471988155 886815061 /nfs/dbraw/zinc/81/50/61/886815061.db2.gz HIGFNPTUFQAJAJ-KNQAVFIVSA-N 1 1 424.501 4.320 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473178861 887958254 /nfs/dbraw/zinc/95/82/54/887958254.db2.gz SBXAPPJOOWRRPA-UHFFFAOYSA-N 1 1 401.413 4.299 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473437525 888159168 /nfs/dbraw/zinc/15/91/68/888159168.db2.gz YIEDVNFTERVQHA-QHCPKHFHSA-N 1 1 424.501 4.123 20 5 HIBDMO C[C@H](NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000473953373 888825829 /nfs/dbraw/zinc/82/58/29/888825829.db2.gz SVZSMPKXNXYSLU-RQXXJAGISA-N 1 1 410.518 4.112 20 5 HIBDMO CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475170952 890038494 /nfs/dbraw/zinc/03/84/94/890038494.db2.gz BLSQQRLFQXDVPJ-WIYYLYMNSA-N 1 1 410.518 4.270 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475276208 890172003 /nfs/dbraw/zinc/17/20/03/890172003.db2.gz OLSKEXBYIJABOF-NRFANRHFSA-N 1 1 424.476 4.316 20 5 HIBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293380 890196835 /nfs/dbraw/zinc/19/68/35/890196835.db2.gz WJHXVBIXYMVXPB-BTYIYWSLSA-N 1 1 418.877 4.420 20 5 HIBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293380 890196857 /nfs/dbraw/zinc/19/68/57/890196857.db2.gz WJHXVBIXYMVXPB-BTYIYWSLSA-N 1 1 418.877 4.420 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@](C)(OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475292591 890197147 /nfs/dbraw/zinc/19/71/47/890197147.db2.gz TXZPBUJWCPMHEF-JOCHJYFZSA-N 1 1 400.475 4.183 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000475571496 890503213 /nfs/dbraw/zinc/50/32/13/890503213.db2.gz GAXHAHCFFVPILG-UHFFFAOYSA-N 1 1 413.257 4.085 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000475571496 890503214 /nfs/dbraw/zinc/50/32/14/890503214.db2.gz GAXHAHCFFVPILG-UHFFFAOYSA-N 1 1 413.257 4.085 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000475644231 890587086 /nfs/dbraw/zinc/58/70/86/890587086.db2.gz YZIDLRYVCFJKNR-BEFAXECRSA-N 1 1 402.520 4.478 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC000475644755 890587249 /nfs/dbraw/zinc/58/72/49/890587249.db2.gz YAESRBHOMIFHNU-OAHLLOKOSA-N 1 1 419.197 4.199 20 5 HIBDMO CCOc1ccc([C@H](C)[NH2+][C@H](CCSC)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000504912197 913646598 /nfs/dbraw/zinc/64/65/98/913646598.db2.gz RXFHHWSFSLBPKI-GOEBONIOSA-N 1 1 415.519 4.181 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000477378596 892339104 /nfs/dbraw/zinc/33/91/04/892339104.db2.gz OCPSNPWRWNTVGX-KRWDZBQOSA-N 1 1 401.894 4.151 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000478300822 893517816 /nfs/dbraw/zinc/51/78/16/893517816.db2.gz UXCXZHQTNACJFN-AWEZNQCLSA-N 1 1 418.444 4.298 20 5 HIBDMO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000478563252 893850752 /nfs/dbraw/zinc/85/07/52/893850752.db2.gz QNRSGNAJBQLEGB-IRLDBZIGSA-N 1 1 421.541 4.386 20 5 HIBDMO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000478671244 893921062 /nfs/dbraw/zinc/92/10/62/893921062.db2.gz TZXDWIYOKZYVBE-QZTJIDSGSA-N 1 1 410.518 4.200 20 5 HIBDMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000479416105 894726530 /nfs/dbraw/zinc/72/65/30/894726530.db2.gz HLUGRQRASVRRLJ-INIZCTEOSA-N 1 1 414.483 4.115 20 5 HIBDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000480533240 895895899 /nfs/dbraw/zinc/89/58/99/895895899.db2.gz ARQFPLNJGWZFIN-XLIONFOSSA-N 1 1 416.591 4.246 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481872886 897244153 /nfs/dbraw/zinc/24/41/53/897244153.db2.gz JFTBAAAYFVJLLT-GHTZIAJQSA-N 1 1 419.481 4.468 20 5 HIBDMO CCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481875676 897247394 /nfs/dbraw/zinc/24/73/94/897247394.db2.gz QGJPRVHTKZIRAT-FCHUYYIVSA-N 1 1 407.514 4.284 20 5 HIBDMO CCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481874353 897247986 /nfs/dbraw/zinc/24/79/86/897247986.db2.gz LTBCTRLHGNNWAQ-NHCUHLMSSA-N 1 1 423.513 4.120 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000482471358 898046095 /nfs/dbraw/zinc/04/60/95/898046095.db2.gz TXVBYIWZOJKFQB-LJQANCHMSA-N 1 1 421.419 4.254 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000482661628 898265575 /nfs/dbraw/zinc/26/55/75/898265575.db2.gz IXWDANRZSATRRZ-ZDUSSCGKSA-N 1 1 406.483 4.220 20 5 HIBDMO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482793293 898400919 /nfs/dbraw/zinc/40/09/19/898400919.db2.gz RIDUBTYREWYOIY-TZIWHRDSSA-N 1 1 408.502 4.422 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482803012 898412684 /nfs/dbraw/zinc/41/26/84/898412684.db2.gz XBVSLLDGSWILFY-UGKGYDQZSA-N 1 1 408.502 4.422 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)nc2c1 ZINC000483471113 899114523 /nfs/dbraw/zinc/11/45/23/899114523.db2.gz QDOQHTAWLOIYGI-NQIIRXRSSA-N 1 1 406.486 4.223 20 5 HIBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000483648301 899304410 /nfs/dbraw/zinc/30/44/10/899304410.db2.gz VAYRADCKUHQBNF-LSDHHAIUSA-N 1 1 423.473 4.275 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000484902405 900281716 /nfs/dbraw/zinc/28/17/16/900281716.db2.gz XUOWBUYIJXIFIR-LJQANCHMSA-N 1 1 411.502 4.026 20 5 HIBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000484916435 900293692 /nfs/dbraw/zinc/29/36/92/900293692.db2.gz DRMSXPODTPMHHO-GOSISDBHSA-N 1 1 415.921 4.209 20 5 HIBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000485346776 900638255 /nfs/dbraw/zinc/63/82/55/900638255.db2.gz FLOICPCDILRTKC-UHFFFAOYSA-N 1 1 410.499 4.461 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000485720517 900970711 /nfs/dbraw/zinc/97/07/11/900970711.db2.gz OEYAPOAQDQAADR-JOCHJYFZSA-N 1 1 404.470 4.058 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000485720517 900970717 /nfs/dbraw/zinc/97/07/17/900970717.db2.gz OEYAPOAQDQAADR-JOCHJYFZSA-N 1 1 404.470 4.058 20 5 HIBDMO CSc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000486213634 901397174 /nfs/dbraw/zinc/39/71/74/901397174.db2.gz KKYLFEVNJWXSLA-AYHJJNSGSA-N 1 1 411.527 4.242 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 ZINC000486440955 901600143 /nfs/dbraw/zinc/60/01/43/901600143.db2.gz XNYMPLXXPRWSHT-LJQANCHMSA-N 1 1 411.483 4.372 20 5 HIBDMO CSc1cccc(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000486559761 901705817 /nfs/dbraw/zinc/70/58/17/901705817.db2.gz UIGVEJMFIQKFJM-GOSISDBHSA-N 1 1 401.532 4.203 20 5 HIBDMO CSc1cccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000486703925 901803932 /nfs/dbraw/zinc/80/39/32/901803932.db2.gz SQRJDKFPKZAJEY-HNNXBMFYSA-N 1 1 415.515 4.290 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)c([N+](=O)[O-])cc1OC ZINC000486791639 901856052 /nfs/dbraw/zinc/85/60/52/901856052.db2.gz OAJOREKABXIDLU-UHFFFAOYSA-N 1 1 413.405 4.228 20 5 HIBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000487468568 902220634 /nfs/dbraw/zinc/22/06/34/902220634.db2.gz QRZZXVGLIOUCKF-UHFFFAOYSA-N 1 1 418.497 4.073 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487516293 902231447 /nfs/dbraw/zinc/23/14/47/902231447.db2.gz HTXZIRGUGZEBRG-KSSFIOAISA-N 1 1 402.882 4.280 20 5 HIBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@@H]21 ZINC000488467210 902839630 /nfs/dbraw/zinc/83/96/30/902839630.db2.gz WWQUQOPGZOORRB-UWJYYQICSA-N 1 1 411.527 4.302 20 5 HIBDMO CC(C)(NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000488510237 902863167 /nfs/dbraw/zinc/86/31/67/902863167.db2.gz WQWHEWMPEAIQNL-INIZCTEOSA-N 1 1 416.547 4.103 20 5 HIBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)n1 ZINC000489006792 903117422 /nfs/dbraw/zinc/11/74/22/903117422.db2.gz FWZRIWBSIHJPAB-UHFFFAOYSA-N 1 1 421.379 4.302 20 5 HIBDMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489020199 903126111 /nfs/dbraw/zinc/12/61/11/903126111.db2.gz XKFRAHFXRPZPOD-CYBMUJFWSA-N 1 1 401.854 4.498 20 5 HIBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(-c4c(F)cccc4F)cs3)CC2)n1 ZINC000489029708 903134348 /nfs/dbraw/zinc/13/43/48/903134348.db2.gz UHDHNRHMMYTILB-UHFFFAOYSA-N 1 1 405.430 4.030 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000489319518 903329374 /nfs/dbraw/zinc/32/93/74/903329374.db2.gz GZFOQGHJUSYSFE-BEFAXECRSA-N 1 1 416.547 4.274 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000489319521 903329833 /nfs/dbraw/zinc/32/98/33/903329833.db2.gz GZFOQGHJUSYSFE-KXBFYZLASA-N 1 1 416.547 4.274 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000489673753 903536369 /nfs/dbraw/zinc/53/63/69/903536369.db2.gz BIUILYQWLCTUPH-IBGZPJMESA-N 1 1 424.545 4.074 20 5 HIBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490014872 903724798 /nfs/dbraw/zinc/72/47/98/903724798.db2.gz RFARZFZFUUPOGM-GJZGRUSLSA-N 1 1 401.429 4.087 20 5 HIBDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490093385 903767188 /nfs/dbraw/zinc/76/71/88/903767188.db2.gz TWUGJKZPVNIJJZ-LJQANCHMSA-N 1 1 405.882 4.205 20 5 HIBDMO C[C@H]1CN(c2ccc(C[NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000490172235 903809107 /nfs/dbraw/zinc/80/91/07/903809107.db2.gz MEOWRFFYFUMVQP-MHECFPHRSA-N 1 1 418.497 4.094 20 5 HIBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490188000 903816076 /nfs/dbraw/zinc/81/60/76/903816076.db2.gz PFEFJIASJHFADY-NRFANRHFSA-N 1 1 421.501 4.439 20 5 HIBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccccc2N2CCOCC2)c2ccccc2)c1 ZINC000490190123 903817088 /nfs/dbraw/zinc/81/70/88/903817088.db2.gz GBNODUPRLCTFNU-DEOSSOPVSA-N 1 1 403.482 4.311 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490252056 903855712 /nfs/dbraw/zinc/85/57/12/903855712.db2.gz UHCCBLRKYHFJMA-UXHICEINSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490252056 903855715 /nfs/dbraw/zinc/85/57/15/903855715.db2.gz UHCCBLRKYHFJMA-UXHICEINSA-N 1 1 403.429 4.135 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506099426 914803108 /nfs/dbraw/zinc/80/31/08/914803108.db2.gz QIAXEKQQHDEGLH-FQEVSTJZSA-N 1 1 420.469 4.104 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491132528 904446094 /nfs/dbraw/zinc/44/60/94/904446094.db2.gz IURQEIIMCHAVOX-CYBMUJFWSA-N 1 1 410.417 4.016 20 5 HIBDMO COc1cc(C[NH+]2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491239359 904495784 /nfs/dbraw/zinc/49/57/84/904495784.db2.gz KZECHKIWRABALK-UHFFFAOYSA-N 1 1 414.449 4.171 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC4(CC3)OCCc3ccsc34)co2)cc1 ZINC000492466851 904853768 /nfs/dbraw/zinc/85/37/68/904853768.db2.gz QNTIDQCZYPCBDL-UHFFFAOYSA-N 1 1 411.483 4.375 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493001382 904980196 /nfs/dbraw/zinc/98/01/96/904980196.db2.gz FIVGMWJSRMTGQD-CYBMUJFWSA-N 1 1 421.847 4.261 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493001382 904980209 /nfs/dbraw/zinc/98/02/09/904980209.db2.gz FIVGMWJSRMTGQD-CYBMUJFWSA-N 1 1 421.847 4.261 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000493307833 905081170 /nfs/dbraw/zinc/08/11/70/905081170.db2.gz BESBVFSBQVSTKU-MOPGFXCFSA-N 1 1 410.518 4.270 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493312354 905085939 /nfs/dbraw/zinc/08/59/39/905085939.db2.gz XMVXBKOGRPLMST-FQEVSTJZSA-N 1 1 424.545 4.314 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345118 905092185 /nfs/dbraw/zinc/09/21/85/905092185.db2.gz VVWXZARUMMHFDQ-OXJNMPFZSA-N 1 1 411.527 4.221 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c([N+](=O)[O-])c2)cc1 ZINC000493637053 905176885 /nfs/dbraw/zinc/17/68/85/905176885.db2.gz URSBYVKULOKETB-UYAOXDASSA-N 1 1 408.502 4.076 20 5 HIBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512408117 921140711 /nfs/dbraw/zinc/14/07/11/921140711.db2.gz ASWPSZQLYBTBDG-FQEVSTJZSA-N 1 1 424.545 4.491 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)o2)cc1 ZINC000494501191 905792379 /nfs/dbraw/zinc/79/23/79/905792379.db2.gz CDCAMNQJEISVNL-WMZOPIPTSA-N 1 1 418.812 4.057 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494717568 905920060 /nfs/dbraw/zinc/92/00/60/905920060.db2.gz DZZHJSPGMXFBAB-AWEZNQCLSA-N 1 1 416.444 4.067 20 5 HIBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000495039081 906194504 /nfs/dbraw/zinc/19/45/04/906194504.db2.gz HNKIWDZRORHGJV-HNNXBMFYSA-N 1 1 416.909 4.027 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000496519633 906700827 /nfs/dbraw/zinc/70/08/27/906700827.db2.gz KZAXOCRCMODKOE-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO Cc1csc(Sc2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000499184738 908539998 /nfs/dbraw/zinc/53/99/98/908539998.db2.gz UMTCQXSANAACBM-AWEZNQCLSA-N 1 1 420.560 4.115 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c2cccnc21 ZINC000499656354 908866716 /nfs/dbraw/zinc/86/67/16/908866716.db2.gz AESCVLMIDZOKMU-UHFFFAOYSA-N 1 1 416.403 4.484 20 5 HIBDMO C[C@H](c1ccccc1Br)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501040456 910254405 /nfs/dbraw/zinc/25/44/05/910254405.db2.gz ZYKADJOVJHMFPT-CYBMUJFWSA-N 1 1 406.280 4.379 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513123081 921566973 /nfs/dbraw/zinc/56/69/73/921566973.db2.gz RMGONDXDPIKGSF-FQEVSTJZSA-N 1 1 420.469 4.104 20 5 HIBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000501848679 910882630 /nfs/dbraw/zinc/88/26/30/910882630.db2.gz JRDCETTZAVLHAI-IBGZPJMESA-N 1 1 408.454 4.259 20 5 HIBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000501848679 910882639 /nfs/dbraw/zinc/88/26/39/910882639.db2.gz JRDCETTZAVLHAI-IBGZPJMESA-N 1 1 408.454 4.259 20 5 HIBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502178585 911103853 /nfs/dbraw/zinc/10/38/53/911103853.db2.gz DWVLXZJKKIQADP-UHFFFAOYSA-N 1 1 417.440 4.262 20 5 HIBDMO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502918547 911904267 /nfs/dbraw/zinc/90/42/67/911904267.db2.gz JNOSOEWVTMSOIZ-MRXNPFEDSA-N 1 1 423.473 4.274 20 5 HIBDMO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502929264 911915232 /nfs/dbraw/zinc/91/52/32/911915232.db2.gz AZOGRLQEYLMWHN-INIZCTEOSA-N 1 1 423.473 4.274 20 5 HIBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502970098 911951664 /nfs/dbraw/zinc/95/16/64/911951664.db2.gz HKHCCJVKYQZNAQ-INIZCTEOSA-N 1 1 413.474 4.091 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000502998249 911974439 /nfs/dbraw/zinc/97/44/39/911974439.db2.gz KHANVVLFDOGJIQ-BGYRXZFFSA-N 1 1 416.569 4.019 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506294828 914889508 /nfs/dbraw/zinc/88/95/08/914889508.db2.gz LHRWXYSQLIRCEY-HIFRSBDPSA-N 1 1 420.416 4.153 20 5 HIBDMO O=C(NC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1)C1CC1 ZINC000506648346 915319485 /nfs/dbraw/zinc/31/94/85/915319485.db2.gz LIKHHFKUMZLUAN-UHFFFAOYSA-N 1 1 413.449 4.017 20 5 HIBDMO Cc1nc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)oc1C ZINC000513412210 921779788 /nfs/dbraw/zinc/77/97/88/921779788.db2.gz WNACXUGNTGXKPN-UHFFFAOYSA-N 1 1 412.515 4.246 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000508369854 917169461 /nfs/dbraw/zinc/16/94/61/917169461.db2.gz MKGZTPHCVAMDGH-UHFFFAOYSA-N 1 1 409.364 4.001 20 5 HIBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000509208295 917909931 /nfs/dbraw/zinc/90/99/31/917909931.db2.gz DCRZYWTXHPSNPJ-UHFFFAOYSA-N 1 1 417.535 4.258 20 5 HIBDMO CC[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000509296942 917976738 /nfs/dbraw/zinc/97/67/38/917976738.db2.gz RINGTHIWEIQPTC-QFIPXVFZSA-N 1 1 424.545 4.352 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000509531305 918179498 /nfs/dbraw/zinc/17/94/98/918179498.db2.gz CKFOBBXLOUTAJN-NRFANRHFSA-N 1 1 408.502 4.192 20 5 HIBDMO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000509965141 918556168 /nfs/dbraw/zinc/55/61/68/918556168.db2.gz YWRAFAGNWJBRTC-KRWDZBQOSA-N 1 1 423.498 4.114 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CCc3cccnc3)CC2)s1 ZINC000510248746 918784964 /nfs/dbraw/zinc/78/49/64/918784964.db2.gz HHWYVYOJLBPNEX-UHFFFAOYSA-N 1 1 408.527 4.079 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000510647907 919089025 /nfs/dbraw/zinc/08/90/25/919089025.db2.gz UMTGORYFVRTBLH-FGZHOGPDSA-N 1 1 404.470 4.201 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000510647907 919089048 /nfs/dbraw/zinc/08/90/48/919089048.db2.gz UMTGORYFVRTBLH-FGZHOGPDSA-N 1 1 404.470 4.201 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510869534 919361411 /nfs/dbraw/zinc/36/14/11/919361411.db2.gz PORXHKNZKKZWDA-UHFFFAOYSA-N 1 1 422.432 4.358 20 5 HIBDMO COC(=O)c1ccc(-c2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000511109581 919719834 /nfs/dbraw/zinc/71/98/34/919719834.db2.gz OPTACHPHGXELBJ-UHFFFAOYSA-N 1 1 411.483 4.179 20 5 HIBDMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000511109581 919719839 /nfs/dbraw/zinc/71/98/39/919719839.db2.gz OPTACHPHGXELBJ-UHFFFAOYSA-N 1 1 411.483 4.179 20 5 HIBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000511740582 920416550 /nfs/dbraw/zinc/41/65/50/920416550.db2.gz GAYCKVSZMFSHHQ-RBUKOAKNSA-N 1 1 407.495 4.054 20 5 HIBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1nc(-c2ccccc2)no1 ZINC000512202412 920947222 /nfs/dbraw/zinc/94/72/22/920947222.db2.gz KBQNEFLICRNRAH-UHFFFAOYSA-N 1 1 419.441 4.017 20 5 HIBDMO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000512359183 921101686 /nfs/dbraw/zinc/10/16/86/921101686.db2.gz CCAGPMHQMVFQRH-HKUYNNGSSA-N 1 1 413.503 4.116 20 5 HIBDMO CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513483465 921838507 /nfs/dbraw/zinc/83/85/07/921838507.db2.gz DFSVOMLAAOOBIZ-SFHVURJKSA-N 1 1 423.307 4.008 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513702145 922022742 /nfs/dbraw/zinc/02/27/42/922022742.db2.gz FEZWQDJQDKIHAC-SFHVURJKSA-N 1 1 420.391 4.149 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000515756609 923328664 /nfs/dbraw/zinc/32/86/64/923328664.db2.gz OTRPQBGVOBRMOA-MJGOQNOKSA-N 1 1 424.545 4.394 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000515756609 923328681 /nfs/dbraw/zinc/32/86/81/923328681.db2.gz OTRPQBGVOBRMOA-MJGOQNOKSA-N 1 1 424.545 4.394 20 5 HIBDMO CC[NH+](CC)Cc1cccc(CN[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000515761945 923334001 /nfs/dbraw/zinc/33/40/01/923334001.db2.gz IJHZXZPWZQYYRM-HNNXBMFYSA-N 1 1 418.925 4.207 20 5 HIBDMO CC(C)c1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)cc1[N+](=O)[O-] ZINC000517187655 924043857 /nfs/dbraw/zinc/04/38/57/924043857.db2.gz SUPAWLFVGUVYTH-NRFANRHFSA-N 1 1 424.545 4.497 20 5 HIBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000518328954 927193101 /nfs/dbraw/zinc/19/31/01/927193101.db2.gz NCNOZZLTQJJGMX-UHFFFAOYSA-N 1 1 414.481 4.011 20 5 HIBDMO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000521142445 929020988 /nfs/dbraw/zinc/02/09/88/929020988.db2.gz QIYDWLOKIIZIAY-ROUUACIJSA-N 1 1 416.566 4.024 20 5 HIBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000524892775 929875981 /nfs/dbraw/zinc/87/59/81/929875981.db2.gz MQYAEHCNPGRRFD-WOJBJXKFSA-N 1 1 404.507 4.411 20 5 HIBDMO C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@H+]1C ZINC000525195139 930082653 /nfs/dbraw/zinc/08/26/53/930082653.db2.gz XSHOQUNHGZOBKB-OLZOCXBDSA-N 1 1 408.296 4.190 20 5 HIBDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCN1C ZINC000525195139 930082667 /nfs/dbraw/zinc/08/26/67/930082667.db2.gz XSHOQUNHGZOBKB-OLZOCXBDSA-N 1 1 408.296 4.190 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525271934 930122828 /nfs/dbraw/zinc/12/28/28/930122828.db2.gz VPQIXCVZLCZLPU-MRXNPFEDSA-N 1 1 422.428 4.244 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000525555009 930323372 /nfs/dbraw/zinc/32/33/72/930323372.db2.gz ZXLARKHYQSMNCV-YZVOILCLSA-N 1 1 419.572 4.336 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](OCCO)C2)ccc1Oc1ccccc1Cl ZINC000527362963 930648242 /nfs/dbraw/zinc/64/82/42/930648242.db2.gz GZJDDOFOJMQLMG-MRXNPFEDSA-N 1 1 406.866 4.014 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)ccc1Oc1ccccc1Cl ZINC000527362963 930648252 /nfs/dbraw/zinc/64/82/52/930648252.db2.gz GZJDDOFOJMQLMG-MRXNPFEDSA-N 1 1 406.866 4.014 20 5 HIBDMO COc1cc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000530926962 930860552 /nfs/dbraw/zinc/86/05/52/930860552.db2.gz SMIMXTKOQGDBIR-QGZVFWFLSA-N 1 1 422.428 4.077 20 5 HIBDMO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1ccccc1OC ZINC000532490186 931459062 /nfs/dbraw/zinc/45/90/62/931459062.db2.gz GDEHCMBNQGGMJQ-OAHLLOKOSA-N 1 1 401.463 4.024 20 5 HIBDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1ccccc1OC ZINC000532490186 931459065 /nfs/dbraw/zinc/45/90/65/931459065.db2.gz GDEHCMBNQGGMJQ-OAHLLOKOSA-N 1 1 401.463 4.024 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000532580730 931538802 /nfs/dbraw/zinc/53/88/02/931538802.db2.gz RODNXRRTJZOXHD-DZGCQCFKSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000532580730 931538815 /nfs/dbraw/zinc/53/88/15/931538815.db2.gz RODNXRRTJZOXHD-DZGCQCFKSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000532580756 931539337 /nfs/dbraw/zinc/53/93/37/931539337.db2.gz RODNXRRTJZOXHD-ZFWWWQNUSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000532580756 931539347 /nfs/dbraw/zinc/53/93/47/931539347.db2.gz RODNXRRTJZOXHD-ZFWWWQNUSA-N 1 1 403.866 4.073 20 5 HIBDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893995 931682837 /nfs/dbraw/zinc/68/28/37/931682837.db2.gz ULXJSQPGAUUHIK-KBXCAEBGSA-N 1 1 411.458 4.274 20 5 HIBDMO C[N@@H+](CCOc1cccc(Cl)c1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532896959 931683781 /nfs/dbraw/zinc/68/37/81/931683781.db2.gz QPSRGTUUHAHECQ-UHFFFAOYSA-N 1 1 401.850 4.457 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000533027302 931744155 /nfs/dbraw/zinc/74/41/55/931744155.db2.gz HAMQTNZDXWPOMF-UHFFFAOYSA-N 1 1 401.438 4.126 20 5 HIBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533250515 931818725 /nfs/dbraw/zinc/81/87/25/931818725.db2.gz RZOIHPFFNMRGAO-CYBMUJFWSA-N 1 1 407.392 4.196 20 5 HIBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533250515 931818726 /nfs/dbraw/zinc/81/87/26/931818726.db2.gz RZOIHPFFNMRGAO-CYBMUJFWSA-N 1 1 407.392 4.196 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000533251887 931819815 /nfs/dbraw/zinc/81/98/15/931819815.db2.gz ZTMLCKIYYSBRBG-AWEZNQCLSA-N 1 1 400.410 4.246 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000533251887 931819817 /nfs/dbraw/zinc/81/98/17/931819817.db2.gz ZTMLCKIYYSBRBG-AWEZNQCLSA-N 1 1 400.410 4.246 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533346231 931843691 /nfs/dbraw/zinc/84/36/91/931843691.db2.gz MROFSGODDIIIET-LSDHHAIUSA-N 1 1 416.478 4.150 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533346231 931843694 /nfs/dbraw/zinc/84/36/94/931843694.db2.gz MROFSGODDIIIET-LSDHHAIUSA-N 1 1 416.478 4.150 20 5 HIBDMO O=C(C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000533829073 932049692 /nfs/dbraw/zinc/04/96/92/932049692.db2.gz ZCTNWMXCMDBMDC-UHFFFAOYSA-N 1 1 402.454 4.260 20 5 HIBDMO O=C(C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000533829073 932049699 /nfs/dbraw/zinc/04/96/99/932049699.db2.gz ZCTNWMXCMDBMDC-UHFFFAOYSA-N 1 1 402.454 4.260 20 5 HIBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534242206 932361178 /nfs/dbraw/zinc/36/11/78/932361178.db2.gz IILAWEZDOIDQRY-ACJLOTCBSA-N 1 1 406.845 4.202 20 5 HIBDMO Cc1c(CC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962367 932862408 /nfs/dbraw/zinc/86/24/08/932862408.db2.gz CTYJOCOAZCGKKT-HRAATJIYSA-N 1 1 419.884 4.047 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@H+]1Cc1ccccc1 ZINC000534995799 932880967 /nfs/dbraw/zinc/88/09/67/932880967.db2.gz DGQOJPKQCKSIJD-FUHWJXTLSA-N 1 1 406.486 4.107 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](Cc2ccnc(OC(C)C)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000535293708 933055805 /nfs/dbraw/zinc/05/58/05/933055805.db2.gz LCDJYFIFFSQWIR-UHFFFAOYSA-N 1 1 412.490 4.079 20 5 HIBDMO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000535367932 933096584 /nfs/dbraw/zinc/09/65/84/933096584.db2.gz GEFXRQPUGMQNHB-UWJYYQICSA-N 1 1 420.513 4.303 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000535397832 933114637 /nfs/dbraw/zinc/11/46/37/933114637.db2.gz PEHXEVHVZMVUOE-XLIONFOSSA-N 1 1 420.513 4.130 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000535522835 933213909 /nfs/dbraw/zinc/21/39/09/933213909.db2.gz BPQIUIJDOGDUSN-IBGZPJMESA-N 1 1 407.426 4.358 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000535522835 933213919 /nfs/dbraw/zinc/21/39/19/933213919.db2.gz BPQIUIJDOGDUSN-IBGZPJMESA-N 1 1 407.426 4.358 20 5 HIBDMO CC(=O)N(c1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1)c1ccc(C)cc1 ZINC000537307361 933707894 /nfs/dbraw/zinc/70/78/94/933707894.db2.gz ZHIFWMOJDUHPMU-UHFFFAOYSA-N 1 1 410.499 4.377 20 5 HIBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537375467 933743546 /nfs/dbraw/zinc/74/35/46/933743546.db2.gz SKYQHBUPEMJGMK-ROUUACIJSA-N 1 1 421.419 4.481 20 5 HIBDMO CCOc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537620724 938336308 /nfs/dbraw/zinc/33/63/08/938336308.db2.gz WTSSMAFRZJUNSS-SJORKVTESA-N 1 1 416.522 4.198 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000537632708 938341540 /nfs/dbraw/zinc/34/15/40/938341540.db2.gz MOKAVNGUNOUWQO-HKUYNNGSSA-N 1 1 408.545 4.111 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000537632708 938341542 /nfs/dbraw/zinc/34/15/42/938341542.db2.gz MOKAVNGUNOUWQO-HKUYNNGSSA-N 1 1 408.545 4.111 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537648641 938345770 /nfs/dbraw/zinc/34/57/70/938345770.db2.gz WXWZCKJSXIHTBF-VQTJNVASSA-N 1 1 412.486 4.041 20 5 HIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@@H]1O ZINC000537689051 938355260 /nfs/dbraw/zinc/35/52/60/938355260.db2.gz YRTXISKCRATGEC-GCJKJVERSA-N 1 1 406.486 4.040 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538602826 938659685 /nfs/dbraw/zinc/65/96/85/938659685.db2.gz ZRBVCSKLHYCIAW-PZJWPPBQSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538602826 938659687 /nfs/dbraw/zinc/65/96/87/938659687.db2.gz ZRBVCSKLHYCIAW-PZJWPPBQSA-N 1 1 419.884 4.270 20 5 HIBDMO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716847 938689237 /nfs/dbraw/zinc/68/92/37/938689237.db2.gz GENYNJFXKYEMJO-DYESRHJHSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716847 938689239 /nfs/dbraw/zinc/68/92/39/938689239.db2.gz GENYNJFXKYEMJO-DYESRHJHSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716847 938689241 /nfs/dbraw/zinc/68/92/41/938689241.db2.gz GENYNJFXKYEMJO-DYESRHJHSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@@H+](C)CCc2nccs2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538724850 938692530 /nfs/dbraw/zinc/69/25/30/938692530.db2.gz FRLMHKSBDWPJQO-UHFFFAOYSA-N 1 1 413.499 4.313 20 5 HIBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538726470 938693519 /nfs/dbraw/zinc/69/35/19/938693519.db2.gz UDJOTCIMDSLKQF-VGOFRKELSA-N 1 1 406.486 4.183 20 5 HIBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538726469 938693607 /nfs/dbraw/zinc/69/36/07/938693607.db2.gz UDJOTCIMDSLKQF-JTSKRJEESA-N 1 1 406.486 4.183 20 5 HIBDMO CCn1cc(C[N@H+](C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cn1 ZINC000538727900 938693847 /nfs/dbraw/zinc/69/38/47/938693847.db2.gz HGIWSDUHOVEZAO-UHFFFAOYSA-N 1 1 410.474 4.031 20 5 HIBDMO CCn1cc(C[N@@H+](C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cn1 ZINC000538727900 938693852 /nfs/dbraw/zinc/69/38/52/938693852.db2.gz HGIWSDUHOVEZAO-UHFFFAOYSA-N 1 1 410.474 4.031 20 5 HIBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000538762644 938704264 /nfs/dbraw/zinc/70/42/64/938704264.db2.gz AHSDNWVFEIVPOV-LJQANCHMSA-N 1 1 400.475 4.041 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539262914 938829572 /nfs/dbraw/zinc/82/95/72/938829572.db2.gz OMEUOOYDLPYIFH-GJZGRUSLSA-N 1 1 404.430 4.242 20 5 HIBDMO Cc1c(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)cccc1[N+](=O)[O-] ZINC000539278458 938832217 /nfs/dbraw/zinc/83/22/17/938832217.db2.gz PQIKXEFNDBDCLZ-LBPRGKRZSA-N 1 1 407.264 4.288 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000539326505 938842079 /nfs/dbraw/zinc/84/20/79/938842079.db2.gz OJYMAVZLESGYHR-FQEVSTJZSA-N 1 1 407.417 4.197 20 5 HIBDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([S@@](C)=O)cc1 ZINC000539529887 938873895 /nfs/dbraw/zinc/87/38/95/938873895.db2.gz FIERJQICHSXNTR-PFUSGODGSA-N 1 1 401.513 4.307 20 5 HIBDMO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000539708272 938907832 /nfs/dbraw/zinc/90/78/32/938907832.db2.gz KWNADUZOJHYHDS-CQSZACIVSA-N 1 1 420.498 4.365 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000539829654 938950036 /nfs/dbraw/zinc/95/00/36/938950036.db2.gz SUYGJIHXOLXMQU-IBGZPJMESA-N 1 1 405.502 4.161 20 5 HIBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000539893898 938969685 /nfs/dbraw/zinc/96/96/85/938969685.db2.gz BQWBKJDTWRJWGB-KRWDZBQOSA-N 1 1 417.893 4.341 20 5 HIBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000539893899 938969961 /nfs/dbraw/zinc/96/99/61/938969961.db2.gz BQWBKJDTWRJWGB-QGZVFWFLSA-N 1 1 417.893 4.341 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000539936007 938979252 /nfs/dbraw/zinc/97/92/52/938979252.db2.gz RTQBHXIQXCCIQQ-IBGZPJMESA-N 1 1 424.888 4.343 20 5 HIBDMO COc1ccccc1[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000540162166 939097482 /nfs/dbraw/zinc/09/74/82/939097482.db2.gz HTOGUKCZFIEKLS-NYHFZMIOSA-N 1 1 409.442 4.293 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000540480066 939269240 /nfs/dbraw/zinc/26/92/40/939269240.db2.gz GEBQXMHWFPLSES-HNAYVOBHSA-N 1 1 422.441 4.118 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540798948 939376161 /nfs/dbraw/zinc/37/61/61/939376161.db2.gz PZLYLPMYXUCBDW-RXVVDRJESA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540798948 939376163 /nfs/dbraw/zinc/37/61/63/939376163.db2.gz PZLYLPMYXUCBDW-RXVVDRJESA-N 1 1 419.884 4.270 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000541718733 939613887 /nfs/dbraw/zinc/61/38/87/939613887.db2.gz NZMNEFDFJAUPLD-PGRDOPGGSA-N 1 1 423.513 4.474 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000541771390 939626487 /nfs/dbraw/zinc/62/64/87/939626487.db2.gz NBLVOXQXCRMXAB-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000541771390 939626494 /nfs/dbraw/zinc/62/64/94/939626494.db2.gz NBLVOXQXCRMXAB-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO C[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542613329 939848576 /nfs/dbraw/zinc/84/85/76/939848576.db2.gz SVGQJGPUHYSRGX-SJORKVTESA-N 1 1 413.493 4.386 20 5 HIBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000542692044 939854607 /nfs/dbraw/zinc/85/46/07/939854607.db2.gz QRZVAXWKRJRACY-UHFFFAOYSA-N 1 1 420.874 4.072 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542928481 939879978 /nfs/dbraw/zinc/87/99/78/939879978.db2.gz RATXDSFUSGXVTR-CYBMUJFWSA-N 1 1 409.273 4.147 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542928481 939879979 /nfs/dbraw/zinc/87/99/79/939879979.db2.gz RATXDSFUSGXVTR-CYBMUJFWSA-N 1 1 409.273 4.147 20 5 HIBDMO O=C1NCCc2ccc(C[NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc21 ZINC000543620944 940136508 /nfs/dbraw/zinc/13/65/08/940136508.db2.gz XDXWKGONPWYCNE-UHFFFAOYSA-N 1 1 411.845 4.084 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543642623 940147192 /nfs/dbraw/zinc/14/71/92/940147192.db2.gz XHMXQMVMKMGLPB-KRWDZBQOSA-N 1 1 400.454 4.110 20 5 HIBDMO O=[N+]([O-])c1cccc([C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2)c1 ZINC000543777449 940183332 /nfs/dbraw/zinc/18/33/32/940183332.db2.gz WHAZSGJUWVFDLA-DQEYMECFSA-N 1 1 417.509 4.041 20 5 HIBDMO NC(=O)c1ccc(NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000544126058 940333205 /nfs/dbraw/zinc/33/32/05/940333205.db2.gz XRNHNKOTEOFAHO-UHFFFAOYSA-N 1 1 423.300 4.077 20 5 HIBDMO CCc1ccc([C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544364774 940402598 /nfs/dbraw/zinc/40/25/98/940402598.db2.gz XWWHBFKEKOIOFZ-XMMPIXPASA-N 1 1 420.513 4.489 20 5 HIBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000544621765 940492385 /nfs/dbraw/zinc/49/23/85/940492385.db2.gz KCHITRZOPUIORJ-MAUKXSAKSA-N 1 1 400.454 4.423 20 5 HIBDMO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000545148832 940551248 /nfs/dbraw/zinc/55/12/48/940551248.db2.gz VENFFSDDVIYOBL-QGZVFWFLSA-N 1 1 413.493 4.135 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000546534545 940846543 /nfs/dbraw/zinc/84/65/43/940846543.db2.gz VTBCNTYQUFLBLU-WMZOPIPTSA-N 1 1 413.493 4.181 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(Cc4ccncc4)CC3)o2)c(Cl)c1 ZINC000546905120 940907956 /nfs/dbraw/zinc/90/79/56/940907956.db2.gz KFMRXMMVMZFUAB-UHFFFAOYSA-N 1 1 412.877 4.221 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547245187 941042159 /nfs/dbraw/zinc/04/21/59/941042159.db2.gz GTYGYDDCYQMRPB-KKSFZXQISA-N 1 1 413.493 4.038 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1)CC1CC1 ZINC000547256174 941045243 /nfs/dbraw/zinc/04/52/43/941045243.db2.gz KDEDYDJZJXMQNC-UHFFFAOYSA-N 1 1 419.541 4.372 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 ZINC000548039038 941083959 /nfs/dbraw/zinc/08/39/59/941083959.db2.gz BRJQJTDDBCHEDZ-JOCHJYFZSA-N 1 1 419.912 4.367 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000549060251 941150726 /nfs/dbraw/zinc/15/07/26/941150726.db2.gz NCSVRWZNKMBRRC-UHFFFAOYSA-N 1 1 423.469 4.149 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000549060251 941150727 /nfs/dbraw/zinc/15/07/27/941150727.db2.gz NCSVRWZNKMBRRC-UHFFFAOYSA-N 1 1 423.469 4.149 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000549298939 941178035 /nfs/dbraw/zinc/17/80/35/941178035.db2.gz DLROCKNTEKQFQS-PKOBYXMFSA-N 1 1 411.502 4.119 20 5 HIBDMO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000549723272 941205691 /nfs/dbraw/zinc/20/56/91/941205691.db2.gz VCWZUHXHQXXZJF-MRXNPFEDSA-N 1 1 421.419 4.180 20 5 HIBDMO C[N@@H+](CCN1CCCC1=O)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000552242507 941611623 /nfs/dbraw/zinc/61/16/23/941611623.db2.gz RASMDJQCSHUKGG-UHFFFAOYSA-N 1 1 403.866 4.095 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccccc3Cn3ccnc3)cs2)c1 ZINC000553576022 941912557 /nfs/dbraw/zinc/91/25/57/941912557.db2.gz VVQFSTUGSQQILZ-UHFFFAOYSA-N 1 1 405.483 4.253 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000553595638 941917169 /nfs/dbraw/zinc/91/71/69/941917169.db2.gz CHPVTTHYHDAMLX-HNNXBMFYSA-N 1 1 410.499 4.413 20 5 HIBDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000553991133 942014812 /nfs/dbraw/zinc/01/48/12/942014812.db2.gz MRVRKSCYQXWCJP-GOSISDBHSA-N 1 1 401.463 4.024 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000554104543 942036984 /nfs/dbraw/zinc/03/69/84/942036984.db2.gz IGWCOQHMXFEVEP-NRFANRHFSA-N 1 1 421.501 4.346 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000554834746 942273392 /nfs/dbraw/zinc/27/33/92/942273392.db2.gz KHUGEXUGQMWTFQ-CQSZACIVSA-N 1 1 420.307 4.167 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000554834746 942273401 /nfs/dbraw/zinc/27/34/01/942273401.db2.gz KHUGEXUGQMWTFQ-CQSZACIVSA-N 1 1 420.307 4.167 20 5 HIBDMO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[NH+]2CCCC2)o1 ZINC000555708514 942707632 /nfs/dbraw/zinc/70/76/32/942707632.db2.gz PXULROASCAXOIE-INIZCTEOSA-N 1 1 411.380 4.082 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556857138 942940704 /nfs/dbraw/zinc/94/07/04/942940704.db2.gz AGJVUEBXEFUHFI-QFIPXVFZSA-N 1 1 407.518 4.048 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+][C@H](c3cccnc3)C(C)(C)CO)o2)c([N+](=O)[O-])c1 ZINC000556927790 942970346 /nfs/dbraw/zinc/97/03/46/942970346.db2.gz WMKHYEPNTSGNJP-OAQYLSRUSA-N 1 1 411.458 4.108 20 5 HIBDMO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000557039054 943001708 /nfs/dbraw/zinc/00/17/08/943001708.db2.gz UQASVWHTPXQKGL-ACJLOTCBSA-N 1 1 407.392 4.006 20 5 HIBDMO C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000557460013 943140581 /nfs/dbraw/zinc/14/05/81/943140581.db2.gz SBGPNTBAZHVEJX-QRWLVFNGSA-N 1 1 411.433 4.078 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000558180169 943413448 /nfs/dbraw/zinc/41/34/48/943413448.db2.gz FCHVIMAEQRMWGA-AWEZNQCLSA-N 1 1 410.449 4.422 20 5 HIBDMO C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558489385 943574091 /nfs/dbraw/zinc/57/40/91/943574091.db2.gz ZDXUHRKOJNAAOC-YWZLYKJASA-N 1 1 420.469 4.390 20 5 HIBDMO COc1cc(C[NH2+]Cc2cnc3n2CCCC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000560070625 944148571 /nfs/dbraw/zinc/14/85/71/944148571.db2.gz NKOLVWWGERPUPM-UHFFFAOYSA-N 1 1 422.485 4.005 20 5 HIBDMO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000560537563 944246475 /nfs/dbraw/zinc/24/64/75/944246475.db2.gz BPGXTZMODPQLFU-MISYRCLQSA-N 1 1 408.458 4.086 20 5 HIBDMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000561423235 944590392 /nfs/dbraw/zinc/59/03/92/944590392.db2.gz PRUUHVRUNHJDIG-GQWAEJPESA-N 1 1 419.884 4.300 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCO[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000566753696 946086860 /nfs/dbraw/zinc/08/68/60/946086860.db2.gz XEIUYOHUPZNINV-XZOQPEGZSA-N 1 1 420.513 4.492 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000567762599 946403736 /nfs/dbraw/zinc/40/37/36/946403736.db2.gz SKQBCPDSCJHANQ-MRXNPFEDSA-N 1 1 413.440 4.388 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000567936491 946427876 /nfs/dbraw/zinc/42/78/76/946427876.db2.gz ZUYPBJWWCYJFIE-IBGZPJMESA-N 1 1 424.545 4.353 20 5 HIBDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000568684022 946654673 /nfs/dbraw/zinc/65/46/73/946654673.db2.gz GWQIOUJVDDDVNB-IBGZPJMESA-N 1 1 410.518 4.101 20 5 HIBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000568816934 946714407 /nfs/dbraw/zinc/71/44/07/946714407.db2.gz VXDRMQWDDZPJSA-UHFFFAOYSA-N 1 1 410.202 4.209 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c2c(c1)COCO2 ZINC000569954046 947052173 /nfs/dbraw/zinc/05/21/73/947052173.db2.gz LMYVYDAEPFMNKQ-UHFFFAOYSA-N 1 1 405.454 4.101 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c2c(c1)COCO2 ZINC000569954046 947052183 /nfs/dbraw/zinc/05/21/83/947052183.db2.gz LMYVYDAEPFMNKQ-UHFFFAOYSA-N 1 1 405.454 4.101 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000570719223 947333793 /nfs/dbraw/zinc/33/37/93/947333793.db2.gz OGSPOKXIGYDBFB-INIZCTEOSA-N 1 1 422.403 4.143 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000571063910 947457430 /nfs/dbraw/zinc/45/74/30/947457430.db2.gz VAAKRZJGKJBDKG-QGZVFWFLSA-N 1 1 417.456 4.214 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571587626 947718086 /nfs/dbraw/zinc/71/80/86/947718086.db2.gz WEWVPVOHHUOBBM-SFTDATJTSA-N 1 1 412.486 4.326 20 5 HIBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000572619676 947957521 /nfs/dbraw/zinc/95/75/21/947957521.db2.gz GIHYZZSOTHLIBV-UHFFFAOYSA-N 1 1 415.799 4.380 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000572619676 947957532 /nfs/dbraw/zinc/95/75/32/947957532.db2.gz GIHYZZSOTHLIBV-UHFFFAOYSA-N 1 1 415.799 4.380 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000573983625 948341196 /nfs/dbraw/zinc/34/11/96/948341196.db2.gz ORMILCOMJOWIJR-VWLOTQADSA-N 1 1 401.315 4.184 20 5 HIBDMO CC(C)c1ccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574046474 948353360 /nfs/dbraw/zinc/35/33/60/948353360.db2.gz KUPRIEBQFJIOCE-DEOSSOPVSA-N 1 1 407.514 4.456 20 5 HIBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164622867 719071270 /nfs/dbraw/zinc/07/12/70/719071270.db2.gz JDTQNUOPAJUXBS-MAUKXSAKSA-N 1 1 422.863 4.289 20 5 HIBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164622869 719071349 /nfs/dbraw/zinc/07/13/49/719071349.db2.gz JDTQNUOPAJUXBS-QAPCUYQASA-N 1 1 422.863 4.289 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1 ZINC001164629060 719096137 /nfs/dbraw/zinc/09/61/37/719096137.db2.gz QPUUKHWHGQFKBL-REWPJTCUSA-N 1 1 415.497 4.153 20 5 HIBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164646507 719308753 /nfs/dbraw/zinc/30/87/53/719308753.db2.gz FIBVJSZRUUYYRT-UHFFFAOYSA-N 1 1 400.530 4.185 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266969 845299031 /nfs/dbraw/zinc/29/90/31/845299031.db2.gz CKHZQGDSVYKCMV-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266969 845299039 /nfs/dbraw/zinc/29/90/39/845299039.db2.gz CKHZQGDSVYKCMV-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261404 845501669 /nfs/dbraw/zinc/50/16/69/845501669.db2.gz XWESWZQGKUDAAJ-GJZGRUSLSA-N 1 1 410.499 4.411 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261404 845501676 /nfs/dbraw/zinc/50/16/76/845501676.db2.gz XWESWZQGKUDAAJ-GJZGRUSLSA-N 1 1 410.499 4.411 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3cc(C(F)(F)F)ncc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000436312585 861618315 /nfs/dbraw/zinc/61/83/15/861618315.db2.gz NNSMKEDGOLGCLB-OKILXGFUSA-N 1 1 424.423 4.230 20 5 HIBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000015787758 846090784 /nfs/dbraw/zinc/09/07/84/846090784.db2.gz FPHFRVDVCNLIGG-IBGZPJMESA-N 1 1 419.934 4.294 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000021935523 846512811 /nfs/dbraw/zinc/51/28/11/846512811.db2.gz LBRKUZRPFYICRH-UHFFFAOYSA-N 1 1 409.873 4.359 20 5 HIBDMO CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000025536035 846995053 /nfs/dbraw/zinc/99/50/53/846995053.db2.gz SZCOIJUGTFLJAX-FQEVSTJZSA-N 1 1 401.894 4.061 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(Br)s1 ZINC000026250988 847112416 /nfs/dbraw/zinc/11/24/16/847112416.db2.gz WHAWDASLHVBGBL-UHFFFAOYSA-N 1 1 412.309 4.188 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000027535675 847315948 /nfs/dbraw/zinc/31/59/48/847315948.db2.gz VNLZDCWBDMGFPJ-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000027535675 847315951 /nfs/dbraw/zinc/31/59/51/847315951.db2.gz VNLZDCWBDMGFPJ-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1Cl ZINC000029049558 847497511 /nfs/dbraw/zinc/49/75/11/847497511.db2.gz UKIIVTYORPPDGY-MRXNPFEDSA-N 1 1 403.891 4.496 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029828886 847627113 /nfs/dbraw/zinc/62/71/13/847627113.db2.gz QQNFSJCRSJEBPT-INIZCTEOSA-N 1 1 408.458 4.253 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000042145872 848293028 /nfs/dbraw/zinc/29/30/28/848293028.db2.gz TWKYONDORCUVJG-RDTXWAMCSA-N 1 1 413.474 4.313 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C2CC2)cc1 ZINC000052867109 849636326 /nfs/dbraw/zinc/63/63/26/849636326.db2.gz JLMVANCUJMJFKS-OAHLLOKOSA-N 1 1 408.458 4.454 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000053157998 849673997 /nfs/dbraw/zinc/67/39/97/849673997.db2.gz UYTSCYZDBGGDCD-GOSISDBHSA-N 1 1 403.866 4.423 20 5 HIBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C2CC2)cc1 ZINC000057601190 850677643 /nfs/dbraw/zinc/67/76/43/850677643.db2.gz OFHBUFKSTUFTOG-CQSZACIVSA-N 1 1 417.893 4.496 20 5 HIBDMO COc1cc(C[N@H+](C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000058452266 850828786 /nfs/dbraw/zinc/82/87/86/850828786.db2.gz CYUIRJCJZYNYME-UHFFFAOYSA-N 1 1 416.808 4.369 20 5 HIBDMO COc1cc(C[N@@H+](C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000058452266 850828792 /nfs/dbraw/zinc/82/87/92/850828792.db2.gz CYUIRJCJZYNYME-UHFFFAOYSA-N 1 1 416.808 4.369 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000059387278 851003821 /nfs/dbraw/zinc/00/38/21/851003821.db2.gz LBBOIXPMQYDDCO-KRWDZBQOSA-N 1 1 410.392 4.018 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)C1 ZINC000060414219 851092029 /nfs/dbraw/zinc/09/20/29/851092029.db2.gz TWRLYIPAUAXULL-OAHLLOKOSA-N 1 1 401.894 4.410 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437023941 862206470 /nfs/dbraw/zinc/20/64/70/862206470.db2.gz PLXSNZIQKFVCKL-AUUYWEPGSA-N 1 1 421.419 4.254 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437023951 862206821 /nfs/dbraw/zinc/20/68/21/862206821.db2.gz PLXSNZIQKFVCKL-KUHUBIRLSA-N 1 1 421.419 4.254 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437023953 862206936 /nfs/dbraw/zinc/20/69/36/862206936.db2.gz PLXSNZIQKFVCKL-LIRRHRJNSA-N 1 1 421.419 4.254 20 5 HIBDMO Cc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858593 851232669 /nfs/dbraw/zinc/23/26/69/851232669.db2.gz GCKAXMFBVCBGNA-UHFFFAOYSA-N 1 1 421.476 4.212 20 5 HIBDMO CCCN1CCC([NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000061016537 851274646 /nfs/dbraw/zinc/27/46/46/851274646.db2.gz IPYUZEYKYSCAPQ-UHFFFAOYSA-N 1 1 413.518 4.146 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cc(Br)ccc1F ZINC000063742409 851753252 /nfs/dbraw/zinc/75/32/52/851753252.db2.gz KCVQBKQQCKCYGB-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000064738676 851972964 /nfs/dbraw/zinc/97/29/64/851972964.db2.gz OMWWPXNXZIADLN-UHFFFAOYSA-N 1 1 416.566 4.024 20 5 HIBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000065876711 852298110 /nfs/dbraw/zinc/29/81/10/852298110.db2.gz KOGOPOGSVQZFEA-UHFFFAOYSA-N 1 1 413.503 4.021 20 5 HIBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000097403201 852607982 /nfs/dbraw/zinc/60/79/82/852607982.db2.gz YOHWZPOQCCMMKY-UHFFFAOYSA-N 1 1 413.421 4.023 20 5 HIBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000097403201 852607986 /nfs/dbraw/zinc/60/79/86/852607986.db2.gz YOHWZPOQCCMMKY-UHFFFAOYSA-N 1 1 413.421 4.023 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000109092761 852920069 /nfs/dbraw/zinc/92/00/69/852920069.db2.gz LZDLEMVTOVEZBK-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000109092761 852920076 /nfs/dbraw/zinc/92/00/76/852920076.db2.gz LZDLEMVTOVEZBK-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1SC ZINC000116204971 853292560 /nfs/dbraw/zinc/29/25/60/853292560.db2.gz IFFYSYQWSCPJRC-GFCCVEGCSA-N 1 1 423.922 4.438 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1SC ZINC000116204971 853292564 /nfs/dbraw/zinc/29/25/64/853292564.db2.gz IFFYSYQWSCPJRC-GFCCVEGCSA-N 1 1 423.922 4.438 20 5 HIBDMO CC[NH+](CC)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000236902185 853934977 /nfs/dbraw/zinc/93/49/77/853934977.db2.gz IEGGKILYQGTXGH-GOSISDBHSA-N 1 1 400.504 4.484 20 5 HIBDMO Cc1ccc(Sc2ccc(CNCC3([NH+](C)C)CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000237085759 853961979 /nfs/dbraw/zinc/96/19/79/853961979.db2.gz RPIBUSMRHOUAQM-UHFFFAOYSA-N 1 1 415.559 4.255 20 5 HIBDMO Cc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237646176 854067700 /nfs/dbraw/zinc/06/77/00/854067700.db2.gz RCZHPODRGWGUAB-QFIPXVFZSA-N 1 1 410.495 4.186 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437279820 862530360 /nfs/dbraw/zinc/53/03/60/862530360.db2.gz FOWXSMTUBZGDLL-HUUCEWRRSA-N 1 1 413.440 4.340 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCC[N@H+]3Cc3ccccc3)cs2)c1 ZINC000238007793 854132923 /nfs/dbraw/zinc/13/29/23/854132923.db2.gz LBVDHDRGRXDEOA-OAQYLSRUSA-N 1 1 408.527 4.473 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCN3Cc3ccccc3)cs2)c1 ZINC000238007793 854132927 /nfs/dbraw/zinc/13/29/27/854132927.db2.gz LBVDHDRGRXDEOA-OAQYLSRUSA-N 1 1 408.527 4.473 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000301389094 854379734 /nfs/dbraw/zinc/37/97/34/854379734.db2.gz ZCADISCKBXRKGJ-QGZVFWFLSA-N 1 1 424.501 4.395 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301679945 854443697 /nfs/dbraw/zinc/44/36/97/854443697.db2.gz SHTIZIVVBXDLIU-AWEZNQCLSA-N 1 1 411.344 4.233 20 5 HIBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)nc1 ZINC000302087483 854529440 /nfs/dbraw/zinc/52/94/40/854529440.db2.gz FMDZGRDATWRSNG-UHFFFAOYSA-N 1 1 415.906 4.089 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303100562 854759980 /nfs/dbraw/zinc/75/99/80/854759980.db2.gz HMBLBFKNDOUSCJ-OAQYLSRUSA-N 1 1 421.522 4.494 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303100562 854759986 /nfs/dbraw/zinc/75/99/86/854759986.db2.gz HMBLBFKNDOUSCJ-OAQYLSRUSA-N 1 1 421.522 4.494 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3ccccc3)CC3CCOCC3)n2)cc1 ZINC000303432757 854933543 /nfs/dbraw/zinc/93/35/43/854933543.db2.gz CQEBWAIEMIWKEK-UHFFFAOYSA-N 1 1 408.458 4.074 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000303745835 855168343 /nfs/dbraw/zinc/16/83/43/855168343.db2.gz JWMZBERHVRXDDS-UWJYYQICSA-N 1 1 422.529 4.294 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000303747777 855169930 /nfs/dbraw/zinc/16/99/30/855169930.db2.gz KOCBSNDTVZFVPN-XLIONFOSSA-N 1 1 421.501 4.130 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303809746 855213574 /nfs/dbraw/zinc/21/35/74/855213574.db2.gz YQDTWBFSXKQEMJ-NVXWUHKLSA-N 1 1 401.894 4.373 20 5 HIBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311045074 855369167 /nfs/dbraw/zinc/36/91/67/855369167.db2.gz FSKSSNVCJRDVCD-DZGCQCFKSA-N 1 1 405.296 4.075 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)Nc1ccccc1[N+](=O)[O-] ZINC000410026820 855785689 /nfs/dbraw/zinc/78/56/89/855785689.db2.gz QQDFEJVVASZZBA-HNNXBMFYSA-N 1 1 414.531 4.138 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3cnccn3)CC2)ccc1Oc1ccc(F)cc1 ZINC000425970140 856022907 /nfs/dbraw/zinc/02/29/07/856022907.db2.gz DIIWDFPDRCSKKN-UHFFFAOYSA-N 1 1 424.432 4.360 20 5 HIBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000426573694 856355559 /nfs/dbraw/zinc/35/55/59/856355559.db2.gz OYKSHEHLCHHVGS-LJQANCHMSA-N 1 1 424.545 4.048 20 5 HIBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426777526 856473461 /nfs/dbraw/zinc/47/34/61/856473461.db2.gz OBCPEXCTLFFQTB-LJQANCHMSA-N 1 1 411.502 4.120 20 5 HIBDMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437496951 862853246 /nfs/dbraw/zinc/85/32/46/862853246.db2.gz YXFYMEAGBVAICE-IBGZPJMESA-N 1 1 411.477 4.137 20 5 HIBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000428074781 857064337 /nfs/dbraw/zinc/06/43/37/857064337.db2.gz IOJKUBMUELKEGY-KRWDZBQOSA-N 1 1 409.280 4.353 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000428884692 857388716 /nfs/dbraw/zinc/38/87/16/857388716.db2.gz HWZOKOPGCIVUNT-DLBZAZTESA-N 1 1 412.490 4.179 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1OCCc2sccc21 ZINC000429158645 857534840 /nfs/dbraw/zinc/53/48/40/857534840.db2.gz CRYWEJZCMNHECX-PEBVRCNWSA-N 1 1 400.460 4.059 20 5 HIBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000430192373 858075498 /nfs/dbraw/zinc/07/54/98/858075498.db2.gz BRMDOBBCQMWEPO-UHFFFAOYSA-N 1 1 411.502 4.120 20 5 HIBDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC000430883586 858353728 /nfs/dbraw/zinc/35/37/28/858353728.db2.gz RALRUNYDLIVGKJ-QGZVFWFLSA-N 1 1 405.454 4.340 20 5 HIBDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)c1ccccc1 ZINC000430882973 858353851 /nfs/dbraw/zinc/35/38/51/858353851.db2.gz NXYWWVIWFTYSCX-SFHVURJKSA-N 1 1 405.454 4.340 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430937093 858375282 /nfs/dbraw/zinc/37/52/82/858375282.db2.gz ZBGKRDFMUZPVNF-UWJYYQICSA-N 1 1 422.485 4.430 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430937093 858375289 /nfs/dbraw/zinc/37/52/89/858375289.db2.gz ZBGKRDFMUZPVNF-UWJYYQICSA-N 1 1 422.485 4.430 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000431071759 858434484 /nfs/dbraw/zinc/43/44/84/858434484.db2.gz BUXRNXOULCYAIF-GOEBONIOSA-N 1 1 402.882 4.423 20 5 HIBDMO C[C@H]1C[N@@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000432361997 859121778 /nfs/dbraw/zinc/12/17/78/859121778.db2.gz GPOHXLPYSZJSRK-HNNXBMFYSA-N 1 1 407.898 4.099 20 5 HIBDMO C[C@H]1CN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000432361997 859121781 /nfs/dbraw/zinc/12/17/81/859121781.db2.gz GPOHXLPYSZJSRK-HNNXBMFYSA-N 1 1 407.898 4.099 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000467700761 881495412 /nfs/dbraw/zinc/49/54/12/881495412.db2.gz NOODGPZGMGPWSC-XJKSGUPXSA-N 1 1 407.392 4.006 20 5 HIBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000434332184 860294123 /nfs/dbraw/zinc/29/41/23/860294123.db2.gz HDZWITHAISHAQZ-FQEVSTJZSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000434845871 860519544 /nfs/dbraw/zinc/51/95/44/860519544.db2.gz JNWBLUJIURCZAZ-MRXNPFEDSA-N 1 1 423.473 4.078 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000434845871 860519546 /nfs/dbraw/zinc/51/95/46/860519546.db2.gz JNWBLUJIURCZAZ-MRXNPFEDSA-N 1 1 423.473 4.078 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000437979984 863346619 /nfs/dbraw/zinc/34/66/19/863346619.db2.gz ZNHOEEHGQHGKJY-NQIIRXRSSA-N 1 1 422.529 4.322 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998591 863361214 /nfs/dbraw/zinc/36/12/14/863361214.db2.gz JBSKRVGPGWMUQX-XLIONFOSSA-N 1 1 408.502 4.104 20 5 HIBDMO CC1(C)C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000438338947 863812060 /nfs/dbraw/zinc/81/20/60/863812060.db2.gz BTLMTLNWJFQXLC-OAQYLSRUSA-N 1 1 406.486 4.040 20 5 HIBDMO CC1(C)C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000438338946 863812258 /nfs/dbraw/zinc/81/22/58/863812258.db2.gz BTLMTLNWJFQXLC-NRFANRHFSA-N 1 1 406.486 4.040 20 5 HIBDMO Cc1ccc(-c2ccc(C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C(C)C)s2)cc1 ZINC000438831102 864326290 /nfs/dbraw/zinc/32/62/90/864326290.db2.gz IVMLGCKKQXDXJO-LJQANCHMSA-N 1 1 414.531 4.100 20 5 HIBDMO CC[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000439137226 864569681 /nfs/dbraw/zinc/56/96/81/864569681.db2.gz RVPNDTYOOVBTPB-GOSISDBHSA-N 1 1 401.894 4.123 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000439898993 865210510 /nfs/dbraw/zinc/21/05/10/865210510.db2.gz JCGFEVGYQBDKGD-QFBILLFUSA-N 1 1 412.490 4.026 20 5 HIBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441062677 866144345 /nfs/dbraw/zinc/14/43/45/866144345.db2.gz NMVJGDFNOPFYNB-SJLPKXTDSA-N 1 1 411.527 4.302 20 5 HIBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441065029 866149788 /nfs/dbraw/zinc/14/97/88/866149788.db2.gz NYIVXUDHMQXHLV-GFCCVEGCSA-N 1 1 401.410 4.329 20 5 HIBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648552 868242067 /nfs/dbraw/zinc/24/20/67/868242067.db2.gz YYXDTGWLZJOVOC-UONOGXRCSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648552 868242075 /nfs/dbraw/zinc/24/20/75/868242075.db2.gz YYXDTGWLZJOVOC-UONOGXRCSA-N 1 1 412.421 4.082 20 5 HIBDMO C[N@@H+](CC1(O)CCCC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443867880 868398403 /nfs/dbraw/zinc/39/84/03/868398403.db2.gz KVKDMLCWMZYIKZ-IBGZPJMESA-N 1 1 417.893 4.165 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000444583363 868890512 /nfs/dbraw/zinc/89/05/12/868890512.db2.gz OBJNUZGMIXXKBB-KRWDZBQOSA-N 1 1 421.501 4.472 20 5 HIBDMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444846864 869050058 /nfs/dbraw/zinc/05/00/58/869050058.db2.gz ICBFNPQFKYFFBL-IBGZPJMESA-N 1 1 411.505 4.076 20 5 HIBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444846864 869050066 /nfs/dbraw/zinc/05/00/66/869050066.db2.gz ICBFNPQFKYFFBL-IBGZPJMESA-N 1 1 411.505 4.076 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177245 869260590 /nfs/dbraw/zinc/26/05/90/869260590.db2.gz GNWYDPPYKXSMDX-HKUYNNGSSA-N 1 1 411.505 4.247 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000446226605 870162487 /nfs/dbraw/zinc/16/24/87/870162487.db2.gz MTBWERNKMPXMTB-MAUKXSAKSA-N 1 1 408.285 4.385 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000446226605 870162496 /nfs/dbraw/zinc/16/24/96/870162496.db2.gz MTBWERNKMPXMTB-MAUKXSAKSA-N 1 1 408.285 4.385 20 5 HIBDMO COC1(CO)CC[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000447060532 870940240 /nfs/dbraw/zinc/94/02/40/870940240.db2.gz QJAKRUUKJMSWTL-UHFFFAOYSA-N 1 1 406.866 4.014 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000447136473 871037866 /nfs/dbraw/zinc/03/78/66/871037866.db2.gz OHCKAACFEWNVRE-UHFFFAOYSA-N 1 1 409.364 4.001 20 5 HIBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000447318267 871211074 /nfs/dbraw/zinc/21/10/74/871211074.db2.gz JBJVDJSDVSPSGP-UHFFFAOYSA-N 1 1 414.355 4.428 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000447540084 871407681 /nfs/dbraw/zinc/40/76/81/871407681.db2.gz ISFXFSWRICEBKC-NXMSCROESA-N 1 1 409.530 4.371 20 5 HIBDMO C[C@H](NC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1)c1ccccc1 ZINC000447545205 871413333 /nfs/dbraw/zinc/41/33/33/871413333.db2.gz WOZFVVXQCHYNSB-MBSDFSHPSA-N 1 1 409.530 4.462 20 5 HIBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000448419662 872372892 /nfs/dbraw/zinc/37/28/92/872372892.db2.gz XKIVOVHGPVMDJI-UHFFFAOYSA-N 1 1 419.485 4.167 20 5 HIBDMO CC(C)c1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461433609 874482760 /nfs/dbraw/zinc/48/27/60/874482760.db2.gz WUXUEEVLAGTEAK-NHCUHLMSSA-N 1 1 407.514 4.312 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000462619827 875731664 /nfs/dbraw/zinc/73/16/64/875731664.db2.gz NZEZLNIFTSHMAD-LVCYWYKZSA-N 1 1 415.559 4.424 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)c1C ZINC000462777923 875834889 /nfs/dbraw/zinc/83/48/89/875834889.db2.gz LSTUOCKSKWRNNC-UHFFFAOYSA-N 1 1 415.247 4.412 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000463010902 876026307 /nfs/dbraw/zinc/02/63/07/876026307.db2.gz NHEQFLVDPGVSMQ-JOCHJYFZSA-N 1 1 414.469 4.091 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161220 876215914 /nfs/dbraw/zinc/21/59/14/876215914.db2.gz MXFZTKUMMICTHI-XJKSGUPXSA-N 1 1 407.392 4.179 20 5 HIBDMO NC(=O)c1ccc(C[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)c([N+](=O)[O-])c1 ZINC000463362888 876417862 /nfs/dbraw/zinc/41/78/62/876417862.db2.gz UQEKQKUKKGIJLM-UHFFFAOYSA-N 1 1 408.285 4.380 20 5 HIBDMO CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000463423904 876479249 /nfs/dbraw/zinc/47/92/49/876479249.db2.gz MHGLWHDDAYTGOR-UHFFFAOYSA-N 1 1 421.419 4.180 20 5 HIBDMO C[C@H](c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000463885448 877006606 /nfs/dbraw/zinc/00/66/06/877006606.db2.gz CEIDZJKPFKHHJQ-CYBMUJFWSA-N 1 1 423.391 4.259 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000463964505 877089895 /nfs/dbraw/zinc/08/98/95/877089895.db2.gz OHBJAGPRFLWKPO-BEFAXECRSA-N 1 1 402.520 4.478 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757646 877997326 /nfs/dbraw/zinc/99/73/26/877997326.db2.gz OUPQYPWWWVGIOM-HOTGVXAUSA-N 1 1 415.515 4.045 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757646 877997342 /nfs/dbraw/zinc/99/73/42/877997342.db2.gz OUPQYPWWWVGIOM-HOTGVXAUSA-N 1 1 415.515 4.045 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464760944 878004455 /nfs/dbraw/zinc/00/44/55/878004455.db2.gz KIRXFPMINGSRMT-CVEARBPZSA-N 1 1 415.515 4.045 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464760944 878004476 /nfs/dbraw/zinc/00/44/76/878004476.db2.gz KIRXFPMINGSRMT-CVEARBPZSA-N 1 1 415.515 4.045 20 5 HIBDMO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000464784201 878030350 /nfs/dbraw/zinc/03/03/50/878030350.db2.gz CMDSHXCWUJWDMB-SFHVURJKSA-N 1 1 411.502 4.390 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000464952096 878290287 /nfs/dbraw/zinc/29/02/87/878290287.db2.gz NDUKMKPYZLQBCM-GOSISDBHSA-N 1 1 406.486 4.060 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1F ZINC000466206661 879896630 /nfs/dbraw/zinc/89/66/30/879896630.db2.gz WUXIRRGZIPNCAX-GFCCVEGCSA-N 1 1 403.385 4.402 20 5 HIBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466627630 880399991 /nfs/dbraw/zinc/39/99/91/880399991.db2.gz MMDRDFNVBUCMFE-AWEZNQCLSA-N 1 1 417.918 4.366 20 5 HIBDMO C[N@@H+](C[C@@H]1CCCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140688 880883724 /nfs/dbraw/zinc/88/37/24/880883724.db2.gz ZBEYYJYRWZCJLN-MGPUTAFESA-N 1 1 417.893 4.286 20 5 HIBDMO COc1ccc(C[N@@H+](C)CC[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467367274 881137762 /nfs/dbraw/zinc/13/77/62/881137762.db2.gz CGIFDWMVNCDBBJ-HXUWFJFHSA-N 1 1 400.475 4.183 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469459957 883670034 /nfs/dbraw/zinc/67/00/34/883670034.db2.gz ZXIVGTSCKBRIPM-TZMCWYRMSA-N 1 1 400.385 4.474 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469459957 883670041 /nfs/dbraw/zinc/67/00/41/883670041.db2.gz ZXIVGTSCKBRIPM-TZMCWYRMSA-N 1 1 400.385 4.474 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CCO)c3ccco3)o2)c(Br)c1 ZINC000469564717 883816571 /nfs/dbraw/zinc/81/65/71/883816571.db2.gz CZGUTWSNFWKXNZ-INIZCTEOSA-N 1 1 421.247 4.424 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CCO)c3ccco3)o2)c(Br)c1 ZINC000469564718 883817017 /nfs/dbraw/zinc/81/70/17/883817017.db2.gz CZGUTWSNFWKXNZ-MRXNPFEDSA-N 1 1 421.247 4.424 20 5 HIBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470126500 884388806 /nfs/dbraw/zinc/38/88/06/884388806.db2.gz QRPDMJNRMLASBH-UHFFFAOYSA-N 1 1 412.421 4.281 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470126500 884388828 /nfs/dbraw/zinc/38/88/28/884388828.db2.gz QRPDMJNRMLASBH-UHFFFAOYSA-N 1 1 412.421 4.281 20 5 HIBDMO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000470610683 885036436 /nfs/dbraw/zinc/03/64/36/885036436.db2.gz FILCPJXYLHFKAD-WIYYLYMNSA-N 1 1 410.518 4.004 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471291402 885877278 /nfs/dbraw/zinc/87/72/78/885877278.db2.gz HSNKHPAVFNJUSL-GOSISDBHSA-N 1 1 413.543 4.347 20 5 HIBDMO C[C@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000471467815 886156195 /nfs/dbraw/zinc/15/61/95/886156195.db2.gz PHFTVPKFKWUHFV-CQSZACIVSA-N 1 1 409.408 4.254 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000471940057 886738555 /nfs/dbraw/zinc/73/85/55/886738555.db2.gz NBCUQKVZCSWTGH-LPHOPBHVSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000471940057 886738564 /nfs/dbraw/zinc/73/85/64/886738564.db2.gz NBCUQKVZCSWTGH-LPHOPBHVSA-N 1 1 402.882 4.432 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000471946977 886749464 /nfs/dbraw/zinc/74/94/64/886749464.db2.gz PUMYLOTZXURMAV-NVXWUHKLSA-N 1 1 408.380 4.181 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000473281627 888037178 /nfs/dbraw/zinc/03/71/78/888037178.db2.gz HEEQURPLUQKHRT-QVDMIQRCSA-N 1 1 401.894 4.135 20 5 HIBDMO CC(C)c1ccc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473921908 888802304 /nfs/dbraw/zinc/80/23/04/888802304.db2.gz KNFDNYKEAKBNPO-HDICACEKSA-N 1 1 417.550 4.070 20 5 HIBDMO Cc1ccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)[nH+]c1 ZINC000475192853 890062332 /nfs/dbraw/zinc/06/23/32/890062332.db2.gz HCEFXBBUINDTSE-UHFFFAOYSA-N 1 1 423.395 4.108 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279407 890175628 /nfs/dbraw/zinc/17/56/28/890175628.db2.gz NPEBWALJBSVKGI-KOLCDFICSA-N 1 1 416.318 4.317 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279407 890175636 /nfs/dbraw/zinc/17/56/36/890175636.db2.gz NPEBWALJBSVKGI-KOLCDFICSA-N 1 1 416.318 4.317 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)c1 ZINC000475291196 890195333 /nfs/dbraw/zinc/19/53/33/890195333.db2.gz MCQSOTFINUXVTH-SFHVURJKSA-N 1 1 408.527 4.330 20 5 HIBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293391 890198186 /nfs/dbraw/zinc/19/81/86/890198186.db2.gz WJHXVBIXYMVXPB-YCRPNKLZSA-N 1 1 418.877 4.420 20 5 HIBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293391 890198197 /nfs/dbraw/zinc/19/81/97/890198197.db2.gz WJHXVBIXYMVXPB-YCRPNKLZSA-N 1 1 418.877 4.420 20 5 HIBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000475628184 890566917 /nfs/dbraw/zinc/56/69/17/890566917.db2.gz ZUHWENRATKTREY-YWZLYKJASA-N 1 1 406.866 4.278 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000475645778 890588109 /nfs/dbraw/zinc/58/81/09/890588109.db2.gz OUQJTHXFBZVOMH-APWZRJJASA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000475645778 890588118 /nfs/dbraw/zinc/58/81/18/890588118.db2.gz OUQJTHXFBZVOMH-APWZRJJASA-N 1 1 402.882 4.432 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000477015824 891943737 /nfs/dbraw/zinc/94/37/37/891943737.db2.gz YPCNYNJVMUBHLT-UONOGXRCSA-N 1 1 405.882 4.319 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000477615078 892708895 /nfs/dbraw/zinc/70/88/95/892708895.db2.gz ZFGHPSFAIYWQRG-UHFFFAOYSA-N 1 1 401.894 4.123 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000477623436 892736259 /nfs/dbraw/zinc/73/62/59/892736259.db2.gz WPEAKQKPXASNLE-AWEZNQCLSA-N 1 1 407.923 4.260 20 5 HIBDMO C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000478616772 893878116 /nfs/dbraw/zinc/87/81/16/893878116.db2.gz BTFLDEPGCJQRSL-QWHCGFSZSA-N 1 1 419.469 4.085 20 5 HIBDMO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000479629946 894896938 /nfs/dbraw/zinc/89/69/38/894896938.db2.gz VYOLIXHNJOCPAS-PXNSSMCTSA-N 1 1 411.502 4.209 20 5 HIBDMO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000480052507 895399921 /nfs/dbraw/zinc/39/99/21/895399921.db2.gz XVDNOTCAXYAWHL-NRFANRHFSA-N 1 1 414.481 4.231 20 5 HIBDMO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000480471086 895853170 /nfs/dbraw/zinc/85/31/70/895853170.db2.gz RZBISAYIEKTDHR-FQEVSTJZSA-N 1 1 405.454 4.054 20 5 HIBDMO CCOc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481874354 897248232 /nfs/dbraw/zinc/24/82/32/897248232.db2.gz LTBCTRLHGNNWAQ-RTWAWAEBSA-N 1 1 423.513 4.120 20 5 HIBDMO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482543291 898131697 /nfs/dbraw/zinc/13/16/97/898131697.db2.gz LKHTTYQRJJZKRO-HRAATJIYSA-N 1 1 400.498 4.288 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2ccccc2[N+](=O)[O-])c1 ZINC000482667664 898269669 /nfs/dbraw/zinc/26/96/69/898269669.db2.gz WOVYDNLUXTUQNZ-OAHLLOKOSA-N 1 1 400.454 4.159 20 5 HIBDMO Cc1c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482770132 898377138 /nfs/dbraw/zinc/37/71/38/898377138.db2.gz MTLBVJFTQOIOOH-UGKGYDQZSA-N 1 1 408.502 4.422 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482803009 898413328 /nfs/dbraw/zinc/41/33/28/898413328.db2.gz XBVSLLDGSWILFY-DENIHFKCSA-N 1 1 408.502 4.422 20 5 HIBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)C1 ZINC000505573788 914281245 /nfs/dbraw/zinc/28/12/45/914281245.db2.gz DSUNMYPQGQDJOV-QFIPXVFZSA-N 1 1 411.527 4.304 20 5 HIBDMO COc1cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000483275921 898913362 /nfs/dbraw/zinc/91/33/62/898913362.db2.gz BCBSNPYKXXXOSS-CQSZACIVSA-N 1 1 404.772 4.099 20 5 HIBDMO Cc1ccc(Sc2ccc(C[N@@H+]3CC[C@@H](N4CCCC4=O)C3)cc2[N+](=O)[O-])cc1 ZINC000483435464 899068825 /nfs/dbraw/zinc/06/88/25/899068825.db2.gz BLTSCQJACBYYDA-GOSISDBHSA-N 1 1 411.527 4.251 20 5 HIBDMO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@@H](N4CCCC4=O)C3)cc2[N+](=O)[O-])cc1 ZINC000483435464 899068841 /nfs/dbraw/zinc/06/88/41/899068841.db2.gz BLTSCQJACBYYDA-GOSISDBHSA-N 1 1 411.527 4.251 20 5 HIBDMO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000483459125 899097482 /nfs/dbraw/zinc/09/74/82/899097482.db2.gz VPKNMXKYOWYXLX-AOMKIAJQSA-N 1 1 410.495 4.439 20 5 HIBDMO CC[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000505616929 914320275 /nfs/dbraw/zinc/32/02/75/914320275.db2.gz XHULOIHDOXFVSA-INIZCTEOSA-N 1 1 424.906 4.050 20 5 HIBDMO CC[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000505616929 914320282 /nfs/dbraw/zinc/32/02/82/914320282.db2.gz XHULOIHDOXFVSA-INIZCTEOSA-N 1 1 424.906 4.050 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483586353 899237875 /nfs/dbraw/zinc/23/78/75/899237875.db2.gz WDQVXCCALVLSQG-UTKZUKDTSA-N 1 1 413.905 4.375 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000484323219 899878572 /nfs/dbraw/zinc/87/85/72/899878572.db2.gz GNDUDGMTXJRYNX-UHFFFAOYSA-N 1 1 424.457 4.042 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1C ZINC000485059219 900386541 /nfs/dbraw/zinc/38/65/41/900386541.db2.gz UNDZUUUALRSHMI-UHFFFAOYSA-N 1 1 414.849 4.458 20 5 HIBDMO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000505778702 914444893 /nfs/dbraw/zinc/44/48/93/914444893.db2.gz WYPYQUPBXGYHER-UHFFFAOYSA-N 1 1 414.380 4.185 20 5 HIBDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000505778702 914444900 /nfs/dbraw/zinc/44/49/00/914444900.db2.gz WYPYQUPBXGYHER-UHFFFAOYSA-N 1 1 414.380 4.185 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](C4CC4)C3)o2)c(Br)c1 ZINC000485691522 900942500 /nfs/dbraw/zinc/94/25/00/900942500.db2.gz COQHQYLUFVQKMF-SFHVURJKSA-N 1 1 407.264 4.228 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H](C4CC4)C3)o2)c(Br)c1 ZINC000485691522 900942509 /nfs/dbraw/zinc/94/25/09/900942509.db2.gz COQHQYLUFVQKMF-SFHVURJKSA-N 1 1 407.264 4.228 20 5 HIBDMO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000486361100 901530337 /nfs/dbraw/zinc/53/03/37/901530337.db2.gz PJHZUVMMPPSKGO-MSOLQXFVSA-N 1 1 411.502 4.167 20 5 HIBDMO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487185569 902091527 /nfs/dbraw/zinc/09/15/27/902091527.db2.gz MGFGXHMEEWMVJP-UGKGYDQZSA-N 1 1 424.545 4.127 20 5 HIBDMO COC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488786742 902999478 /nfs/dbraw/zinc/99/94/78/902999478.db2.gz QOWDFBYYRAJPPB-AWEZNQCLSA-N 1 1 416.808 4.336 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000489599308 903488013 /nfs/dbraw/zinc/48/80/13/903488013.db2.gz UAKIJUMBZZKFNG-UHFFFAOYSA-N 1 1 405.564 4.433 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489630810 903508342 /nfs/dbraw/zinc/50/83/42/903508342.db2.gz BBYKIZYDYXGCKT-UHFFFAOYSA-N 1 1 422.460 4.121 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489630810 903508345 /nfs/dbraw/zinc/50/83/45/903508345.db2.gz BBYKIZYDYXGCKT-UHFFFAOYSA-N 1 1 422.460 4.121 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000489914243 903670790 /nfs/dbraw/zinc/67/07/90/903670790.db2.gz ASEKAJKIWHXENO-PKOBYXMFSA-N 1 1 416.909 4.228 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000489914243 903670796 /nfs/dbraw/zinc/67/07/96/903670796.db2.gz ASEKAJKIWHXENO-PKOBYXMFSA-N 1 1 416.909 4.228 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1[N+](=O)[O-] ZINC000489975999 903707698 /nfs/dbraw/zinc/70/76/98/903707698.db2.gz FCAKPBYDIRNJTE-INIZCTEOSA-N 1 1 412.421 4.172 20 5 HIBDMO O=C(NCc1ccco1)c1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490028959 903731955 /nfs/dbraw/zinc/73/19/55/903731955.db2.gz VDYBIJCXTDOIAM-UHFFFAOYSA-N 1 1 405.454 4.282 20 5 HIBDMO O=C(NCc1ccco1)c1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490028959 903731965 /nfs/dbraw/zinc/73/19/65/903731965.db2.gz VDYBIJCXTDOIAM-UHFFFAOYSA-N 1 1 405.454 4.282 20 5 HIBDMO COc1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000490402346 903985938 /nfs/dbraw/zinc/98/59/38/903985938.db2.gz NAZGCJDHYIQDFM-GUYCJALGSA-N 1 1 402.463 4.107 20 5 HIBDMO COc1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000490402346 903985951 /nfs/dbraw/zinc/98/59/51/903985951.db2.gz NAZGCJDHYIQDFM-GUYCJALGSA-N 1 1 402.463 4.107 20 5 HIBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000491091402 904422923 /nfs/dbraw/zinc/42/29/23/904422923.db2.gz JFZHCIBXQKQSGX-LJQANCHMSA-N 1 1 410.518 4.011 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000491536390 904642380 /nfs/dbraw/zinc/64/23/80/904642380.db2.gz BNLMZUGCQOSESU-UHFFFAOYSA-N 1 1 416.547 4.171 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000492265259 904826017 /nfs/dbraw/zinc/82/60/17/904826017.db2.gz DGIWKEQIACLOOV-IEBWSBKVSA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000492265259 904826019 /nfs/dbraw/zinc/82/60/19/904826019.db2.gz DGIWKEQIACLOOV-IEBWSBKVSA-N 1 1 401.894 4.087 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492267336 904826733 /nfs/dbraw/zinc/82/67/33/904826733.db2.gz HAEQCWIQGRRXCJ-UHFFFAOYSA-N 1 1 403.385 4.085 20 5 HIBDMO CCOc1cc(C[N@H+](C)Cc2cc(OC)c(OC)cc2SC)ccc1[N+](=O)[O-] ZINC000492776584 904901481 /nfs/dbraw/zinc/90/14/81/904901481.db2.gz UUAZAOUTIGLQBS-UHFFFAOYSA-N 1 1 406.504 4.365 20 5 HIBDMO CCOc1cc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2SC)ccc1[N+](=O)[O-] ZINC000492776584 904901494 /nfs/dbraw/zinc/90/14/94/904901494.db2.gz UUAZAOUTIGLQBS-UHFFFAOYSA-N 1 1 406.504 4.365 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)ccc1[N+](=O)[O-] ZINC000492913662 904951471 /nfs/dbraw/zinc/95/14/71/904951471.db2.gz UYUIARNGEMVCKX-LBPRGKRZSA-N 1 1 401.410 4.458 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938068 904956402 /nfs/dbraw/zinc/95/64/02/904956402.db2.gz SSXOTELQVFNWLN-NQIIRXRSSA-N 1 1 410.518 4.270 20 5 HIBDMO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493233460 905057666 /nfs/dbraw/zinc/05/76/66/905057666.db2.gz UVUSYGVAFJKURZ-QFIPXVFZSA-N 1 1 410.495 4.019 20 5 HIBDMO COCC[N@H+](Cc1cc(Br)cs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000494147212 905485563 /nfs/dbraw/zinc/48/55/63/905485563.db2.gz ZGGYJRYDNXLFRW-UHFFFAOYSA-N 1 1 415.309 4.076 20 5 HIBDMO COCC[N@@H+](Cc1cc(Br)cs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000494147212 905485578 /nfs/dbraw/zinc/48/55/78/905485578.db2.gz ZGGYJRYDNXLFRW-UHFFFAOYSA-N 1 1 415.309 4.076 20 5 HIBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000494552579 905831307 /nfs/dbraw/zinc/83/13/07/905831307.db2.gz JTJDKQMJVKRODU-KRWDZBQOSA-N 1 1 416.909 4.027 20 5 HIBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CCC(F)(F)F ZINC000494621091 905867566 /nfs/dbraw/zinc/86/75/66/905867566.db2.gz PYJNQUBGFWJNET-UHFFFAOYSA-N 1 1 416.322 4.009 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494717570 905920616 /nfs/dbraw/zinc/92/06/16/905920616.db2.gz DZZHJSPGMXFBAB-CQSZACIVSA-N 1 1 416.444 4.067 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000495023404 906183453 /nfs/dbraw/zinc/18/34/53/906183453.db2.gz GVAVBYZQMFIUKD-NQIIRXRSSA-N 1 1 422.529 4.322 20 5 HIBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512522682 921213463 /nfs/dbraw/zinc/21/34/63/921213463.db2.gz XUYQJPXSQUSFEB-DOTOQJQBSA-N 1 1 416.547 4.235 20 5 HIBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512522682 921213478 /nfs/dbraw/zinc/21/34/78/921213478.db2.gz XUYQJPXSQUSFEB-DOTOQJQBSA-N 1 1 416.547 4.235 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000496228169 906634404 /nfs/dbraw/zinc/63/44/04/906634404.db2.gz XINDGWYIMAUMNL-HXUWFJFHSA-N 1 1 424.545 4.414 20 5 HIBDMO COc1cc(C[NH+]2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000512652370 921275042 /nfs/dbraw/zinc/27/50/42/921275042.db2.gz MKCFLGPUBKDANI-UHFFFAOYSA-N 1 1 400.422 4.128 20 5 HIBDMO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000497957461 907427449 /nfs/dbraw/zinc/42/74/49/907427449.db2.gz JKXGTPDVKXRPBO-FXAWDEMLSA-N 1 1 413.543 4.371 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498655504 908094034 /nfs/dbraw/zinc/09/40/34/908094034.db2.gz RVCLLIVULUGGJD-AWEZNQCLSA-N 1 1 401.426 4.128 20 5 HIBDMO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498689342 908116874 /nfs/dbraw/zinc/11/68/74/908116874.db2.gz LLYHSNBYKUXYHZ-GHTZIAJQSA-N 1 1 422.529 4.179 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498690024 908119380 /nfs/dbraw/zinc/11/93/80/908119380.db2.gz PQLFVEAPHCGJOS-SIKLNZKXSA-N 1 1 424.545 4.425 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000498718577 908143741 /nfs/dbraw/zinc/14/37/41/908143741.db2.gz UGPRGDLYSCHUMH-UHFFFAOYSA-N 1 1 421.419 4.316 20 5 HIBDMO CC[N@@H+](C)CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000498755997 908178802 /nfs/dbraw/zinc/17/88/02/908178802.db2.gz UEOOWVYCUFXGDV-UHFFFAOYSA-N 1 1 416.528 4.037 20 5 HIBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000501614373 910715834 /nfs/dbraw/zinc/71/58/34/910715834.db2.gz IVBPDJGRSGEWCM-UHFFFAOYSA-N 1 1 419.547 4.020 20 5 HIBDMO COc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506562352 915210659 /nfs/dbraw/zinc/21/06/59/915210659.db2.gz PAKZSCUPNWTRJJ-LJQANCHMSA-N 1 1 412.486 4.183 20 5 HIBDMO Cc1nc(C)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 ZINC000506802975 915543944 /nfs/dbraw/zinc/54/39/44/915543944.db2.gz FCXVIRGNZJLNJF-UHFFFAOYSA-N 1 1 400.426 4.009 20 5 HIBDMO CCOc1cc(C[N@@H+](C)C2CC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507113114 915875617 /nfs/dbraw/zinc/87/56/17/915875617.db2.gz ZSTBBHZAILMYEB-UHFFFAOYSA-N 1 1 414.458 4.033 20 5 HIBDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000507165035 915903313 /nfs/dbraw/zinc/90/33/13/915903313.db2.gz MQWBARLDLPNAFX-UHFFFAOYSA-N 1 1 419.441 4.364 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000507165035 915903332 /nfs/dbraw/zinc/90/33/32/915903332.db2.gz MQWBARLDLPNAFX-UHFFFAOYSA-N 1 1 419.441 4.364 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000507246360 916007332 /nfs/dbraw/zinc/00/73/32/916007332.db2.gz ILBSNCQDNZIPRL-MNOVXSKESA-N 1 1 410.243 4.174 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(n4cc(Cl)cn4)CC3)cs2)c1 ZINC000507705551 916491172 /nfs/dbraw/zinc/49/11/72/916491172.db2.gz GATRKACZCKJXQX-UHFFFAOYSA-N 1 1 403.895 4.405 20 5 HIBDMO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000508028947 916863232 /nfs/dbraw/zinc/86/32/32/916863232.db2.gz VTNFDHXNKZNSLR-UHFFFAOYSA-N 1 1 405.454 4.203 20 5 HIBDMO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000508028947 916863238 /nfs/dbraw/zinc/86/32/38/916863238.db2.gz VTNFDHXNKZNSLR-UHFFFAOYSA-N 1 1 405.454 4.203 20 5 HIBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508582822 917353573 /nfs/dbraw/zinc/35/35/73/917353573.db2.gz NYXCZPRVBLKCRE-DZGCQCFKSA-N 1 1 403.866 4.126 20 5 HIBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000508648620 917414696 /nfs/dbraw/zinc/41/46/96/917414696.db2.gz DUHSOYDRRWTGNS-DZGCQCFKSA-N 1 1 403.866 4.126 20 5 HIBDMO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000509182209 917891552 /nfs/dbraw/zinc/89/15/52/917891552.db2.gz ZAGZWBNBVBSCSA-HXUWFJFHSA-N 1 1 411.502 4.120 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000509561070 918210547 /nfs/dbraw/zinc/21/05/47/918210547.db2.gz ZTDIKSZDHNGPDB-HNNXBMFYSA-N 1 1 420.469 4.201 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000509561070 918210559 /nfs/dbraw/zinc/21/05/59/918210559.db2.gz ZTDIKSZDHNGPDB-HNNXBMFYSA-N 1 1 420.469 4.201 20 5 HIBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OCC(F)(F)F)cc1 ZINC000509598775 918248836 /nfs/dbraw/zinc/24/88/36/918248836.db2.gz GRBMUVCWDHTJRW-LBPRGKRZSA-N 1 1 412.364 4.253 20 5 HIBDMO COc1cc(CNCC[N@@H+]2CCCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509617697 918266589 /nfs/dbraw/zinc/26/65/89/918266589.db2.gz KCDLGMGNBHNXCI-GOSISDBHSA-N 1 1 413.518 4.146 20 5 HIBDMO COc1cc(CNCC[N@H+]2CCCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509617697 918266608 /nfs/dbraw/zinc/26/66/08/918266608.db2.gz KCDLGMGNBHNXCI-GOSISDBHSA-N 1 1 413.518 4.146 20 5 HIBDMO C[C@H]1C[N@H+](C2CCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000510554086 918998004 /nfs/dbraw/zinc/99/80/04/918998004.db2.gz PPWIHLFKAYQJKT-IBGZPJMESA-N 1 1 424.545 4.048 20 5 HIBDMO C[C@H]1CN(C2CC[NH+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000510554086 918998015 /nfs/dbraw/zinc/99/80/15/918998015.db2.gz PPWIHLFKAYQJKT-IBGZPJMESA-N 1 1 424.545 4.048 20 5 HIBDMO C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510923342 919440101 /nfs/dbraw/zinc/44/01/01/919440101.db2.gz RRVRFQXHGLEOQD-HOCLYGCPSA-N 1 1 414.531 4.101 20 5 HIBDMO Cc1c(Br)cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000510927843 919447590 /nfs/dbraw/zinc/44/75/90/919447590.db2.gz ILQHWECZKNGYRR-KGLIPLIRSA-N 1 1 424.339 4.049 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2cc(Br)cs2)no1 ZINC000511073477 919674427 /nfs/dbraw/zinc/67/44/27/919674427.db2.gz KRDYJDAHBCNQIM-UHFFFAOYSA-N 1 1 423.292 4.143 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2cc(Br)cs2)no1 ZINC000511073477 919674440 /nfs/dbraw/zinc/67/44/40/919674440.db2.gz KRDYJDAHBCNQIM-UHFFFAOYSA-N 1 1 423.292 4.143 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000511864519 920589859 /nfs/dbraw/zinc/58/98/59/920589859.db2.gz LHHVQVQYLIBVDR-UHFFFAOYSA-N 1 1 421.419 4.316 20 5 HIBDMO COc1cc(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000512184813 920928444 /nfs/dbraw/zinc/92/84/44/920928444.db2.gz NDJTUEUTFHCBHW-CALCHBBNSA-N 1 1 411.502 4.011 20 5 HIBDMO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)Nc4c(C)cccc4[N+](=O)[O-])CC3)c2c1 ZINC000513638438 921962713 /nfs/dbraw/zinc/96/27/13/921962713.db2.gz RZFYGDIKCQLDTM-UHFFFAOYSA-N 1 1 422.485 4.211 20 5 HIBDMO COc1cc(C[N@@H+](CCc2nccs2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000513976770 922297576 /nfs/dbraw/zinc/29/75/76/922297576.db2.gz DESIHDYZWCNJKP-UHFFFAOYSA-N 1 1 401.435 4.114 20 5 HIBDMO C[C@H]1CC[N@@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000514090255 922412553 /nfs/dbraw/zinc/41/25/53/922412553.db2.gz UDQGVYVROXSLRL-ZDUSSCGKSA-N 1 1 408.296 4.143 20 5 HIBDMO C[C@H]1CCN(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000514090255 922412555 /nfs/dbraw/zinc/41/25/55/922412555.db2.gz UDQGVYVROXSLRL-ZDUSSCGKSA-N 1 1 408.296 4.143 20 5 HIBDMO C[C@H]1CCN(C)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000514090255 922412560 /nfs/dbraw/zinc/41/25/60/922412560.db2.gz UDQGVYVROXSLRL-ZDUSSCGKSA-N 1 1 408.296 4.143 20 5 HIBDMO COc1ccnc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 ZINC000517383727 924148587 /nfs/dbraw/zinc/14/85/87/924148587.db2.gz QAPXLKRZIAMIKG-UHFFFAOYSA-N 1 1 424.526 4.045 20 5 HIBDMO CSc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000517831466 926855658 /nfs/dbraw/zinc/85/56/58/926855658.db2.gz DRJXPUMELIZGDU-UHFFFAOYSA-N 1 1 401.532 4.186 20 5 HIBDMO CSc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000517831466 926855664 /nfs/dbraw/zinc/85/56/64/926855664.db2.gz DRJXPUMELIZGDU-UHFFFAOYSA-N 1 1 401.532 4.186 20 5 HIBDMO CC(C)[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000518568403 927350606 /nfs/dbraw/zinc/35/06/06/927350606.db2.gz CSIGQJAIVBRWCF-UHFFFAOYSA-N 1 1 423.435 4.396 20 5 HIBDMO CC(C)[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000518568403 927350620 /nfs/dbraw/zinc/35/06/20/927350620.db2.gz CSIGQJAIVBRWCF-UHFFFAOYSA-N 1 1 423.435 4.396 20 5 HIBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000519654274 928037390 /nfs/dbraw/zinc/03/73/90/928037390.db2.gz SUYCQHTXTRJHPJ-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000519654274 928037401 /nfs/dbraw/zinc/03/74/01/928037401.db2.gz SUYCQHTXTRJHPJ-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO CC[N@@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000519753837 928066378 /nfs/dbraw/zinc/06/63/78/928066378.db2.gz JLHSEEJOVPROIX-CJNGLKHVSA-N 1 1 423.420 4.264 20 5 HIBDMO CC[N@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000519753837 928066393 /nfs/dbraw/zinc/06/63/93/928066393.db2.gz JLHSEEJOVPROIX-CJNGLKHVSA-N 1 1 423.420 4.264 20 5 HIBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000519777092 928070989 /nfs/dbraw/zinc/07/09/89/928070989.db2.gz RHRCRGLTWGAQII-CYBMUJFWSA-N 1 1 401.429 4.244 20 5 HIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000521686432 929367320 /nfs/dbraw/zinc/36/73/20/929367320.db2.gz XNGFXLQZFPLCQY-FQEVSTJZSA-N 1 1 407.474 4.254 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000521686432 929367343 /nfs/dbraw/zinc/36/73/43/929367343.db2.gz XNGFXLQZFPLCQY-FQEVSTJZSA-N 1 1 407.474 4.254 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000521686432 929367351 /nfs/dbraw/zinc/36/73/51/929367351.db2.gz XNGFXLQZFPLCQY-FQEVSTJZSA-N 1 1 407.474 4.254 20 5 HIBDMO COc1cc(CN[C@@H](C)C[NH+]2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521820363 929477646 /nfs/dbraw/zinc/47/76/46/929477646.db2.gz NNPCRCPAHPMTJW-SFHVURJKSA-N 1 1 413.518 4.146 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524653284 929765206 /nfs/dbraw/zinc/76/52/06/929765206.db2.gz SGBJYTIRPWHCDU-BBRMVZONSA-N 1 1 403.866 4.253 20 5 HIBDMO C[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@H+]1C ZINC000525195138 930083080 /nfs/dbraw/zinc/08/30/80/930083080.db2.gz XSHOQUNHGZOBKB-CHWSQXEVSA-N 1 1 408.296 4.190 20 5 HIBDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCN1C ZINC000525195138 930083084 /nfs/dbraw/zinc/08/30/84/930083084.db2.gz XSHOQUNHGZOBKB-CHWSQXEVSA-N 1 1 408.296 4.190 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000525555006 930322980 /nfs/dbraw/zinc/32/29/80/930322980.db2.gz ZXLARKHYQSMNCV-DOXZYTNZSA-N 1 1 419.572 4.336 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000525776968 930440505 /nfs/dbraw/zinc/44/05/05/930440505.db2.gz XXMMJKHEQRHAMP-SFHVURJKSA-N 1 1 406.486 4.060 20 5 HIBDMO COc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531696749 931159715 /nfs/dbraw/zinc/15/97/15/931159715.db2.gz CLWVPCDSGLRTJB-LJQANCHMSA-N 1 1 408.458 4.073 20 5 HIBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000532215440 931357088 /nfs/dbraw/zinc/35/70/88/931357088.db2.gz OQWCDBPGUOJQHN-DLBZAZTESA-N 1 1 400.498 4.288 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](Cc3cc[nH]n3)Cc3ccccc3)o2)c1 ZINC000532555079 931521806 /nfs/dbraw/zinc/52/18/06/931521806.db2.gz WMHUFJYVYPUDRD-UHFFFAOYSA-N 1 1 403.442 4.218 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](Cc3cc[nH]n3)Cc3ccccc3)o2)c1 ZINC000532555079 931521814 /nfs/dbraw/zinc/52/18/14/931521814.db2.gz WMHUFJYVYPUDRD-UHFFFAOYSA-N 1 1 403.442 4.218 20 5 HIBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625853 931559319 /nfs/dbraw/zinc/55/93/19/931559319.db2.gz PZRLDQDSVDNQCO-DNVCBOLYSA-N 1 1 422.510 4.189 20 5 HIBDMO O=C1[C@H]([N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625853 931559334 /nfs/dbraw/zinc/55/93/34/931559334.db2.gz PZRLDQDSVDNQCO-DNVCBOLYSA-N 1 1 422.510 4.189 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000532651286 931568876 /nfs/dbraw/zinc/56/88/76/931568876.db2.gz QDFRNQQJIOYSNW-TZIWHRDSSA-N 1 1 424.545 4.217 20 5 HIBDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893997 931683144 /nfs/dbraw/zinc/68/31/44/931683144.db2.gz ULXJSQPGAUUHIK-KSSFIOAISA-N 1 1 411.458 4.274 20 5 HIBDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533251121 931818972 /nfs/dbraw/zinc/81/89/72/931818972.db2.gz FBMGBQJLHYKEPW-ZDUSSCGKSA-N 1 1 407.392 4.196 20 5 HIBDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533251121 931818973 /nfs/dbraw/zinc/81/89/73/931818973.db2.gz FBMGBQJLHYKEPW-ZDUSSCGKSA-N 1 1 407.392 4.196 20 5 HIBDMO CC(C)[C@@H](CO)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000533478639 931879262 /nfs/dbraw/zinc/87/92/62/931879262.db2.gz HTTLPSLYLYAHSQ-OAQYLSRUSA-N 1 1 409.486 4.311 20 5 HIBDMO Cc1c(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000533508440 931888560 /nfs/dbraw/zinc/88/85/60/931888560.db2.gz PXIVNFWNUHBFCZ-MRXNPFEDSA-N 1 1 400.454 4.076 20 5 HIBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534242208 932360978 /nfs/dbraw/zinc/36/09/78/932360978.db2.gz IILAWEZDOIDQRY-SCLBCKFNSA-N 1 1 406.845 4.202 20 5 HIBDMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534869016 932814770 /nfs/dbraw/zinc/81/47/70/932814770.db2.gz PLRUNCHLFNSVNO-MRXNPFEDSA-N 1 1 412.515 4.190 20 5 HIBDMO C[N@@H+](C[C@@H]1CCC[C@H]1O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000535115178 932932513 /nfs/dbraw/zinc/93/25/13/932932513.db2.gz DLLQEDFSEOQJAE-BEVDRBHNSA-N 1 1 417.893 4.021 20 5 HIBDMO COc1cc(C[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000535209192 933015752 /nfs/dbraw/zinc/01/57/52/933015752.db2.gz ALQCZOUXILGOGU-UHFFFAOYSA-N 1 1 420.412 4.008 20 5 HIBDMO COc1cc(C[N@H+]2CCc3ccc(C(C)=O)cc3CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000535209192 933015758 /nfs/dbraw/zinc/01/57/58/933015758.db2.gz ALQCZOUXILGOGU-UHFFFAOYSA-N 1 1 420.412 4.008 20 5 HIBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000535212933 933018612 /nfs/dbraw/zinc/01/86/12/933018612.db2.gz XJVOOEWNGAIPHH-SFHVURJKSA-N 1 1 421.501 4.055 20 5 HIBDMO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000535503126 933190996 /nfs/dbraw/zinc/19/09/96/933190996.db2.gz COMUPMKDELRYOM-BKTGTZMESA-N 1 1 402.882 4.054 20 5 HIBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000535503126 933191005 /nfs/dbraw/zinc/19/10/05/933191005.db2.gz COMUPMKDELRYOM-BKTGTZMESA-N 1 1 402.882 4.054 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799062 933395143 /nfs/dbraw/zinc/39/51/43/933395143.db2.gz AKTCJCPOCCBKPP-UYAOXDASSA-N 1 1 412.486 4.183 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000536009711 933568238 /nfs/dbraw/zinc/56/82/38/933568238.db2.gz KRTKZXBWZGSJQM-GOSISDBHSA-N 1 1 422.529 4.095 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)o2)c(Br)c1 ZINC000537647454 938345071 /nfs/dbraw/zinc/34/50/71/938345071.db2.gz QJCRFJCVTYNCQL-UONOGXRCSA-N 1 1 421.291 4.476 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000537661694 938349215 /nfs/dbraw/zinc/34/92/15/938349215.db2.gz MUUSEFNFISHAHP-UZLBHIALSA-N 1 1 401.532 4.394 20 5 HIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000537689053 938355253 /nfs/dbraw/zinc/35/52/53/938355253.db2.gz YRTXISKCRATGEC-XMSQKQJNSA-N 1 1 406.486 4.040 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000537689132 938355264 /nfs/dbraw/zinc/35/52/64/938355264.db2.gz HBXCTDJFSQWEKJ-CVDCTZTESA-N 1 1 418.497 4.448 20 5 HIBDMO Cc1cnc([C@H](C)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 ZINC000537811361 938382546 /nfs/dbraw/zinc/38/25/46/938382546.db2.gz VKCJZJTXFKSSFJ-INIZCTEOSA-N 1 1 412.515 4.499 20 5 HIBDMO CC[N@@H+](CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)CC(C)C ZINC000537998306 938456674 /nfs/dbraw/zinc/45/66/74/938456674.db2.gz OWYITODRRCARGV-UHFFFAOYSA-N 1 1 415.538 4.225 20 5 HIBDMO COc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716850 938689003 /nfs/dbraw/zinc/68/90/03/938689003.db2.gz GENYNJFXKYEMJO-UWJYYQICSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716850 938689007 /nfs/dbraw/zinc/68/90/07/938689007.db2.gz GENYNJFXKYEMJO-UWJYYQICSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716850 938689012 /nfs/dbraw/zinc/68/90/12/938689012.db2.gz GENYNJFXKYEMJO-UWJYYQICSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@@H+](C)CC2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538732881 938695716 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/nfs/dbraw/zinc/55/90/87/939559087.db2.gz QPFZJMPHAFNFPL-DJJJIMSYSA-N 1 1 415.856 4.435 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541786291 939629596 /nfs/dbraw/zinc/62/95/96/939629596.db2.gz KBSXRYCYQWZECZ-QVDMIQRCSA-N 1 1 400.454 4.012 20 5 HIBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890516 939649505 /nfs/dbraw/zinc/64/95/05/939649505.db2.gz NFJAWBBBHUQUMB-MJGOQNOKSA-N 1 1 406.486 4.040 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3nc(C)no3)CC2)cc1OC ZINC000541986676 939671052 /nfs/dbraw/zinc/67/10/52/939671052.db2.gz WWMUSEJJRSKPLT-CQSZACIVSA-N 1 1 418.494 4.099 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000542212920 939758866 /nfs/dbraw/zinc/75/88/66/939758866.db2.gz SDAQQADMJLRTOM-QFIPXVFZSA-N 1 1 419.481 4.061 20 5 HIBDMO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542510623 939834928 /nfs/dbraw/zinc/83/49/28/939834928.db2.gz MAALXQQSRGDWLZ-LNLFQRSKSA-N 1 1 413.493 4.349 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc(Cl)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542710020 939855882 /nfs/dbraw/zinc/85/58/82/939855882.db2.gz QKDZFFBGLOIHCA-UHFFFAOYSA-N 1 1 400.809 4.499 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC000542916954 939877502 /nfs/dbraw/zinc/87/75/02/939877502.db2.gz RDZGAPBESYXSDW-IAGOWNOFSA-N 1 1 416.522 4.141 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542928490 939879994 /nfs/dbraw/zinc/87/99/94/939879994.db2.gz RATXDSFUSGXVTR-ZDUSSCGKSA-N 1 1 409.273 4.147 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542928490 939879996 /nfs/dbraw/zinc/87/99/96/939879996.db2.gz RATXDSFUSGXVTR-ZDUSSCGKSA-N 1 1 409.273 4.147 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543411696 940057323 /nfs/dbraw/zinc/05/73/23/940057323.db2.gz ZZRZMPIIKKGKCQ-DEOSSOPVSA-N 1 1 420.513 4.489 20 5 HIBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000543623746 940138198 /nfs/dbraw/zinc/13/81/98/940138198.db2.gz JRIYACVINYEBAT-MRXNPFEDSA-N 1 1 411.437 4.332 20 5 HIBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n1 ZINC000543623746 940138204 /nfs/dbraw/zinc/13/82/04/940138204.db2.gz JRIYACVINYEBAT-MRXNPFEDSA-N 1 1 411.437 4.332 20 5 HIBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n1 ZINC000543623746 940138221 /nfs/dbraw/zinc/13/82/21/940138221.db2.gz JRIYACVINYEBAT-MRXNPFEDSA-N 1 1 411.437 4.332 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000544608186 940489683 /nfs/dbraw/zinc/48/96/83/940489683.db2.gz MCHAUUVCKKSAEE-OAHLLOKOSA-N 1 1 419.407 4.344 20 5 HIBDMO O=[N+]([O-])c1ccc2sc(-c3nc(-c4ccccc4C[NH+]4CCOCC4)no3)cc2c1 ZINC000545004131 940532724 /nfs/dbraw/zinc/53/27/24/940532724.db2.gz SXWZEMYHRUORDG-UHFFFAOYSA-N 1 1 422.466 4.359 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000545142445 940549210 /nfs/dbraw/zinc/54/92/10/940549210.db2.gz RMNTWKLUFRFGGG-OALUTQOASA-N 1 1 419.884 4.227 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000545142445 940549215 /nfs/dbraw/zinc/54/92/15/940549215.db2.gz RMNTWKLUFRFGGG-OALUTQOASA-N 1 1 419.884 4.227 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547233606 941039927 /nfs/dbraw/zinc/03/99/27/941039927.db2.gz GWPLOZJWPUUTGQ-QGZVFWFLSA-N 1 1 413.493 4.135 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1)[NH+]1CCOCC1 ZINC000547241634 941041272 /nfs/dbraw/zinc/04/12/72/941041272.db2.gz QXDNRCZRJVQUCE-HNNXBMFYSA-N 1 1 415.465 4.043 20 5 HIBDMO COC(=O)c1ccc(-c2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000548934243 941130577 /nfs/dbraw/zinc/13/05/77/941130577.db2.gz XLOOFTIOPICEJD-UHFFFAOYSA-N 1 1 411.483 4.179 20 5 HIBDMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000548934243 941130578 /nfs/dbraw/zinc/13/05/78/941130578.db2.gz XLOOFTIOPICEJD-UHFFFAOYSA-N 1 1 411.483 4.179 20 5 HIBDMO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000548932232 941130637 /nfs/dbraw/zinc/13/06/37/941130637.db2.gz WQZWLHNVQCFKRG-OAQYLSRUSA-N 1 1 401.482 4.133 20 5 HIBDMO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000548932231 941130711 /nfs/dbraw/zinc/13/07/11/941130711.db2.gz WQZWLHNVQCFKRG-NRFANRHFSA-N 1 1 401.482 4.133 20 5 HIBDMO CC(=O)c1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000549232546 941172675 /nfs/dbraw/zinc/17/26/75/941172675.db2.gz IPMRNLSMVGNQEC-FQEVSTJZSA-N 1 1 423.513 4.138 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1Cl ZINC000549403627 941186643 /nfs/dbraw/zinc/18/66/43/941186643.db2.gz FAMBDVCSZFBZQV-MRXNPFEDSA-N 1 1 415.799 4.300 20 5 HIBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549899818 941233090 /nfs/dbraw/zinc/23/30/90/941233090.db2.gz ULBXCZFVYRMONF-UHFFFAOYSA-N 1 1 423.391 4.170 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)NCc2ccccc2C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000550903982 941381067 /nfs/dbraw/zinc/38/10/67/941381067.db2.gz OJDGBFCVUFJEBM-LJQANCHMSA-N 1 1 424.545 4.252 20 5 HIBDMO CC(C)(C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1[N+](=O)[O-] ZINC000551362566 941461622 /nfs/dbraw/zinc/46/16/22/941461622.db2.gz FJUREIQGKYGGLF-VWLOTQADSA-N 1 1 421.541 4.387 20 5 HIBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000551425997 941476705 /nfs/dbraw/zinc/47/67/05/941476705.db2.gz RWGHSSIQDYEUNV-UHFFFAOYSA-N 1 1 421.497 4.414 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000551425997 941476708 /nfs/dbraw/zinc/47/67/08/941476708.db2.gz RWGHSSIQDYEUNV-UHFFFAOYSA-N 1 1 421.497 4.414 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCO[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552062047 941577375 /nfs/dbraw/zinc/57/73/75/941577375.db2.gz JIQBVMRYJHYIMM-PKTZIBPZSA-N 1 1 420.513 4.492 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552252789 941614618 /nfs/dbraw/zinc/61/46/18/941614618.db2.gz XSCZTQDSPCBWNS-FCEUIQTBSA-N 1 1 406.486 4.175 20 5 HIBDMO CCn1cc(C[N@H+](C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000552300501 941626674 /nfs/dbraw/zinc/62/66/74/941626674.db2.gz LVHCLZJKVIUKKP-UHFFFAOYSA-N 1 1 410.474 4.031 20 5 HIBDMO CCn1cc(C[N@@H+](C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000552300501 941626675 /nfs/dbraw/zinc/62/66/75/941626675.db2.gz LVHCLZJKVIUKKP-UHFFFAOYSA-N 1 1 410.474 4.031 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)C34CCCC4)o2)c(Br)c1 ZINC000552316936 941630055 /nfs/dbraw/zinc/63/00/55/941630055.db2.gz UQACSULXSMBLHG-SFHVURJKSA-N 1 1 421.291 4.497 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000552351553 941641794 /nfs/dbraw/zinc/64/17/94/941641794.db2.gz XYZDADCKIJXKCV-QFIPXVFZSA-N 1 1 411.527 4.055 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000552680034 941735850 /nfs/dbraw/zinc/73/58/50/941735850.db2.gz CCUQNXJAZNOSEC-QHCPKHFHSA-N 1 1 405.454 4.079 20 5 HIBDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554878832 942305536 /nfs/dbraw/zinc/30/55/36/942305536.db2.gz GYHIQJKPJUEZKA-FQEVSTJZSA-N 1 1 408.506 4.453 20 5 HIBDMO Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)cc1[N+](=O)[O-] ZINC000555231039 942438969 /nfs/dbraw/zinc/43/89/69/942438969.db2.gz JZCVAKRDSQXULX-LJQANCHMSA-N 1 1 413.493 4.383 20 5 HIBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000555368739 942498936 /nfs/dbraw/zinc/49/89/36/942498936.db2.gz ZTUJIBXGWNJSHX-ZNXRZULTSA-N 1 1 409.515 4.362 20 5 HIBDMO CC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCCO2 ZINC000557483775 943161517 /nfs/dbraw/zinc/16/15/17/943161517.db2.gz UVTROGVAYKKKSG-CXAGYDPISA-N 1 1 410.430 4.218 20 5 HIBDMO Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000557577609 943217149 /nfs/dbraw/zinc/21/71/49/943217149.db2.gz UTRPPTCBQVUZBX-OAQYLSRUSA-N 1 1 419.481 4.220 20 5 HIBDMO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000558459526 943565241 /nfs/dbraw/zinc/56/52/41/943565241.db2.gz IVWICXQGUDTLFV-VIFPVBQESA-N 1 1 418.181 4.328 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000558497550 943576287 /nfs/dbraw/zinc/57/62/87/943576287.db2.gz OVMVGDMANWXEDU-PMACEKPBSA-N 1 1 408.502 4.197 20 5 HIBDMO CC1CCN(C(=O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)CC1 ZINC000559049380 943815468 /nfs/dbraw/zinc/81/54/68/943815468.db2.gz JBDDSJVXLVGCRU-UHFFFAOYSA-N 1 1 413.440 4.084 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000559071544 943824659 /nfs/dbraw/zinc/82/46/59/943824659.db2.gz DHAZNXAMCWXLMS-ACDBMABISA-N 1 1 410.470 4.057 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559824166 944061267 /nfs/dbraw/zinc/06/12/67/944061267.db2.gz HRNQFGRTRQMZSB-LSDHHAIUSA-N 1 1 413.440 4.340 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3c[nH]nc3C)CC2)cc1OC ZINC000560180067 944189603 /nfs/dbraw/zinc/18/96/03/944189603.db2.gz YOPYQKKDYJKODH-HNNXBMFYSA-N 1 1 416.522 4.439 20 5 HIBDMO C[N@@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561282843 944539521 /nfs/dbraw/zinc/53/95/21/944539521.db2.gz JYGTUUYHWLSQHJ-HIFRSBDPSA-N 1 1 407.858 4.249 20 5 HIBDMO C[N@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561282843 944539525 /nfs/dbraw/zinc/53/95/25/944539525.db2.gz JYGTUUYHWLSQHJ-HIFRSBDPSA-N 1 1 407.858 4.249 20 5 HIBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 ZINC000564255079 945470879 /nfs/dbraw/zinc/47/08/79/945470879.db2.gz YXVVJXXMTXJIHI-DENIHFKCSA-N 1 1 421.457 4.314 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000564521252 945648509 /nfs/dbraw/zinc/64/85/09/945648509.db2.gz MSKIEMCLULXKBE-GOSISDBHSA-N 1 1 413.543 4.349 20 5 HIBDMO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc(N2CCCC2)[nH+]1 ZINC000564550739 945671073 /nfs/dbraw/zinc/67/10/73/945671073.db2.gz ACELIWRXIUCWKT-UHFFFAOYSA-N 1 1 414.531 4.329 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000566808960 946102084 /nfs/dbraw/zinc/10/20/84/946102084.db2.gz JAHFDDWMKKSTRS-OAQYLSRUSA-N 1 1 411.502 4.024 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)co2)cc1 ZINC000568143204 946480399 /nfs/dbraw/zinc/48/03/99/946480399.db2.gz HIIYDZVERVTGGK-RTWAWAEBSA-N 1 1 418.497 4.204 20 5 HIBDMO C[N@H+](CCC(F)(F)F)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000569835142 947015503 /nfs/dbraw/zinc/01/55/03/947015503.db2.gz CHRJJGCISGJSLE-LBPRGKRZSA-N 1 1 408.833 4.742 20 5 HIBDMO C[N@@H+](CCC(F)(F)F)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000569835142 947015515 /nfs/dbraw/zinc/01/55/15/947015515.db2.gz CHRJJGCISGJSLE-LBPRGKRZSA-N 1 1 408.833 4.742 20 5 HIBDMO C[N@H+](CCC(F)(F)F)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000569835137 947016046 /nfs/dbraw/zinc/01/60/46/947016046.db2.gz CHRJJGCISGJSLE-GFCCVEGCSA-N 1 1 408.833 4.742 20 5 HIBDMO C[N@@H+](CCC(F)(F)F)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000569835137 947016060 /nfs/dbraw/zinc/01/60/60/947016060.db2.gz CHRJJGCISGJSLE-GFCCVEGCSA-N 1 1 408.833 4.742 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571587623 947715730 /nfs/dbraw/zinc/71/57/30/947715730.db2.gz WEWVPVOHHUOBBM-LEWJYISDSA-N 1 1 412.486 4.326 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4noc5cc(F)ccc54)CC3)n2)c1 ZINC000573408625 948195474 /nfs/dbraw/zinc/19/54/74/948195474.db2.gz GSYQXRFKKSEMDT-UHFFFAOYSA-N 1 1 423.404 4.305 20 5 HIBDMO CC(C)[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000573964548 948336399 /nfs/dbraw/zinc/33/63/99/948336399.db2.gz PDKOVLWJLRCZPH-UHFFFAOYSA-N 1 1 411.243 4.005 20 5 HIBDMO CC(C)[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000573964548 948336407 /nfs/dbraw/zinc/33/64/07/948336407.db2.gz PDKOVLWJLRCZPH-UHFFFAOYSA-N 1 1 411.243 4.005 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000573983624 948340712 /nfs/dbraw/zinc/34/07/12/948340712.db2.gz ORMILCOMJOWIJR-RUZDIDTESA-N 1 1 401.315 4.184 20 5 HIBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728291 720478742 /nfs/dbraw/zinc/47/87/42/720478742.db2.gz OYIYTEHZTCXLCX-ZWKOTPCHSA-N 1 1 409.877 4.045 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001165026948 721808029 /nfs/dbraw/zinc/80/80/29/721808029.db2.gz SWRJNTPGYWTZCZ-AVCGJXAMSA-N 1 1 417.513 4.275 20 5 HIBDMO O=[N+]([O-])c1cccc2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164952537 722017130 /nfs/dbraw/zinc/01/71/30/722017130.db2.gz NHIDKOZHURQVSX-UHFFFAOYSA-N 1 1 403.486 4.031 20 5 HIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955303 722020230 /nfs/dbraw/zinc/02/02/30/722020230.db2.gz FCXUTRJKYOIQCI-UHFFFAOYSA-N 1 1 403.486 4.031 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000003541904 845036550 /nfs/dbraw/zinc/03/65/50/845036550.db2.gz QYGHEDOINFQYGM-NSHDSACASA-N 1 1 412.273 4.369 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000003541904 845036558 /nfs/dbraw/zinc/03/65/58/845036558.db2.gz QYGHEDOINFQYGM-NSHDSACASA-N 1 1 412.273 4.369 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000015358628 846040445 /nfs/dbraw/zinc/04/04/45/846040445.db2.gz PXZHXHRSPXZRMV-FQEVSTJZSA-N 1 1 415.446 4.122 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000015504606 846054891 /nfs/dbraw/zinc/05/48/91/846054891.db2.gz QGNYQRNVQFETDO-MRXNPFEDSA-N 1 1 412.490 4.279 20 5 HIBDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)Cc3ccccc3[N+](=O)[O-])c2c1C ZINC000025495732 846987708 /nfs/dbraw/zinc/98/77/08/846987708.db2.gz JSPRNQNBIASFDK-UHFFFAOYSA-N 1 1 411.531 4.449 20 5 HIBDMO CC[NH+](CC)Cc1ccccc1CN[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000025702606 847022699 /nfs/dbraw/zinc/02/26/99/847022699.db2.gz NMJOCYIWNUQYHN-OAHLLOKOSA-N 1 1 418.925 4.207 20 5 HIBDMO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000025702603 847023003 /nfs/dbraw/zinc/02/30/03/847023003.db2.gz NMJOCYIWNUQYHN-HNNXBMFYSA-N 1 1 418.925 4.207 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000026224865 847106215 /nfs/dbraw/zinc/10/62/15/847106215.db2.gz RJPYXZIOXMCSFR-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl ZINC000032801220 848077602 /nfs/dbraw/zinc/07/76/02/848077602.db2.gz DLUGXNWICFNGFT-JTQLQIEISA-N 1 1 412.671 4.300 20 5 HIBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000041400530 848212896 /nfs/dbraw/zinc/21/28/96/848212896.db2.gz JKMWMRCQLJDPBU-GOSISDBHSA-N 1 1 408.285 4.469 20 5 HIBDMO C[N@@H+](CC1CC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000053183744 849677176 /nfs/dbraw/zinc/67/71/76/849677176.db2.gz DZGMORYJFYBYKQ-GOSISDBHSA-N 1 1 418.291 4.379 20 5 HIBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437010529 862186172 /nfs/dbraw/zinc/18/61/72/862186172.db2.gz DCRGWBBCBIZUTM-MRXNPFEDSA-N 1 1 421.419 4.208 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000060269521 851057281 /nfs/dbraw/zinc/05/72/81/851057281.db2.gz YLNZHEIZSQLWOX-LJQANCHMSA-N 1 1 415.465 4.052 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000060269519 851057362 /nfs/dbraw/zinc/05/73/62/851057362.db2.gz YLNZHEIZSQLWOX-IBGZPJMESA-N 1 1 415.465 4.052 20 5 HIBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000060470287 851110733 /nfs/dbraw/zinc/11/07/33/851110733.db2.gz ZGLLADSJLZDHKQ-CQSZACIVSA-N 1 1 417.918 4.366 20 5 HIBDMO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543839 851141314 /nfs/dbraw/zinc/14/13/14/851141314.db2.gz JKXGTPDVKXRPBO-PXNSSMCTSA-N 1 1 413.543 4.371 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437037250 862226245 /nfs/dbraw/zinc/22/62/45/862226245.db2.gz BMNDKSMPLXPTQZ-PKOBYXMFSA-N 1 1 413.543 4.056 20 5 HIBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000064737512 851971774 /nfs/dbraw/zinc/97/17/74/851971774.db2.gz YFUGQDBEYGPWFK-INIZCTEOSA-N 1 1 423.941 4.130 20 5 HIBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437152873 862345678 /nfs/dbraw/zinc/34/56/78/862345678.db2.gz JEMVQAHWGNDGJT-INIZCTEOSA-N 1 1 411.380 4.164 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000069040455 852382121 /nfs/dbraw/zinc/38/21/21/852382121.db2.gz ZWVPSAQJEHYIMH-KRWDZBQOSA-N 1 1 405.520 4.359 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc(Br)cc3[N+](=O)[O-])c2)CCO1 ZINC000110459664 853102372 /nfs/dbraw/zinc/10/23/72/853102372.db2.gz YLSXCJFNMBLESG-CQSZACIVSA-N 1 1 420.307 4.190 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc(Br)cc3[N+](=O)[O-])c2)CCO1 ZINC000110459664 853102376 /nfs/dbraw/zinc/10/23/76/853102376.db2.gz YLSXCJFNMBLESG-CQSZACIVSA-N 1 1 420.307 4.190 20 5 HIBDMO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000110695613 853139563 /nfs/dbraw/zinc/13/95/63/853139563.db2.gz GICYKXZAAPYSPP-AWEZNQCLSA-N 1 1 416.909 4.073 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140149514 853435679 /nfs/dbraw/zinc/43/56/79/853435679.db2.gz VCTLPWFBEALWCN-HZPDHXFCSA-N 1 1 419.572 4.165 20 5 HIBDMO CC(C)(C)[C@@H]([NH2+]Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccc(F)cc1 ZINC000140725127 853450888 /nfs/dbraw/zinc/45/08/88/853450888.db2.gz UVEVJSCYNFXCSH-NRFANRHFSA-N 1 1 410.449 4.292 20 5 HIBDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000150214351 853640789 /nfs/dbraw/zinc/64/07/89/853640789.db2.gz QBZMWKYCFJFMRL-HXUWFJFHSA-N 1 1 413.474 4.086 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000216077140 853843071 /nfs/dbraw/zinc/84/30/71/853843071.db2.gz WEALJFPPUSSVHE-QFIPXVFZSA-N 1 1 404.470 4.153 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000216077140 853843073 /nfs/dbraw/zinc/84/30/73/853843073.db2.gz WEALJFPPUSSVHE-QFIPXVFZSA-N 1 1 404.470 4.153 20 5 HIBDMO CCC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236921873 853938466 /nfs/dbraw/zinc/93/84/66/853938466.db2.gz AYGJMIYSDITEQN-GOSISDBHSA-N 1 1 402.520 4.154 20 5 HIBDMO CCc1cnc(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)s1 ZINC000237015908 853951673 /nfs/dbraw/zinc/95/16/73/853951673.db2.gz JUVJSTKVWBKPNH-UHFFFAOYSA-N 1 1 413.499 4.491 20 5 HIBDMO C[C@@H](NC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237385381 854019370 /nfs/dbraw/zinc/01/93/70/854019370.db2.gz FZNRUDZMMVCRDF-QGZVFWFLSA-N 1 1 407.518 4.214 20 5 HIBDMO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cnn(C)c1 ZINC000237420536 854028477 /nfs/dbraw/zinc/02/84/77/854028477.db2.gz YEDRGDLQMGKJNX-LLVKDONJSA-N 1 1 405.252 4.202 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000238011238 854133585 /nfs/dbraw/zinc/13/35/85/854133585.db2.gz KLGSLBHQQAOZBP-SFHVURJKSA-N 1 1 417.513 4.021 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000238011238 854133592 /nfs/dbraw/zinc/13/35/92/854133592.db2.gz KLGSLBHQQAOZBP-SFHVURJKSA-N 1 1 417.513 4.021 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)C1 ZINC000301113011 854300456 /nfs/dbraw/zinc/30/04/56/854300456.db2.gz SRFGHCISXZQYCK-IYBDPMFKSA-N 1 1 421.501 4.334 20 5 HIBDMO CCc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c4cnccc34)CC2)cs1 ZINC000301255671 854339974 /nfs/dbraw/zinc/33/99/74/854339974.db2.gz NQFASBUSQVITNN-UHFFFAOYSA-N 1 1 411.531 4.486 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)[C@H]1c1cccs1 ZINC000301523906 854412296 /nfs/dbraw/zinc/41/22/96/854412296.db2.gz IDFKZTQHGGECDA-NHYWBVRUSA-N 1 1 411.325 4.309 20 5 HIBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@H+]1Cc1ccccc1 ZINC000301547985 854417942 /nfs/dbraw/zinc/41/79/42/854417942.db2.gz PTCYFLGNHCPGGI-AEFFLSMTSA-N 1 1 410.474 4.016 20 5 HIBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301554494 854419042 /nfs/dbraw/zinc/41/90/42/854419042.db2.gz RVGMPIPCZFGEKR-UHFFFAOYSA-N 1 1 419.323 4.101 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1 ZINC000301728745 854453618 /nfs/dbraw/zinc/45/36/18/854453618.db2.gz CAPRFYSPYYMHPF-OAHLLOKOSA-N 1 1 407.474 4.400 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1 ZINC000301749140 854458959 /nfs/dbraw/zinc/45/89/59/854458959.db2.gz SVWDARLOXCVWJF-MRXNPFEDSA-N 1 1 419.485 4.498 20 5 HIBDMO O=C(c1ccccc1)c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301753787 854459686 /nfs/dbraw/zinc/45/96/86/854459686.db2.gz CAPZKXNJWAARRK-FPOVZHCZSA-N 1 1 405.498 4.279 20 5 HIBDMO C[N@H+]1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301851391 854475702 /nfs/dbraw/zinc/47/57/02/854475702.db2.gz ANQSUTOPNPZIKK-BDJLRTHQSA-N 1 1 411.325 4.309 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000302164712 854540379 /nfs/dbraw/zinc/54/03/79/854540379.db2.gz KNCLYLHESHEHBZ-ZDUSSCGKSA-N 1 1 409.533 4.178 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303100560 854760137 /nfs/dbraw/zinc/76/01/37/854760137.db2.gz HMBLBFKNDOUSCJ-NRFANRHFSA-N 1 1 421.522 4.494 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303100560 854760142 /nfs/dbraw/zinc/76/01/42/854760142.db2.gz HMBLBFKNDOUSCJ-NRFANRHFSA-N 1 1 421.522 4.494 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[N@@H+](Cc4ccccc4)CC3)o2)c1 ZINC000303246832 854833709 /nfs/dbraw/zinc/83/37/09/854833709.db2.gz LZGDLEICWUSMCI-UHFFFAOYSA-N 1 1 406.486 4.000 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCN(Cc4ccccc4)CC3)o2)c1 ZINC000303246832 854833710 /nfs/dbraw/zinc/83/37/10/854833710.db2.gz LZGDLEICWUSMCI-UHFFFAOYSA-N 1 1 406.486 4.000 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCN(Cc4ccccc4)CC3)o2)c1 ZINC000303246832 854833716 /nfs/dbraw/zinc/83/37/16/854833716.db2.gz LZGDLEICWUSMCI-UHFFFAOYSA-N 1 1 406.486 4.000 20 5 HIBDMO C[C@@H]1C[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000303747778 855170262 /nfs/dbraw/zinc/17/02/62/855170262.db2.gz KOCBSNDTVZFVPN-YLJYHZDGSA-N 1 1 421.501 4.130 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000303782282 855196077 /nfs/dbraw/zinc/19/60/77/855196077.db2.gz SRCXRQFIITVTDP-FUHWJXTLSA-N 1 1 413.543 4.442 20 5 HIBDMO C[C@H]1C[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1Cc1ccccc1 ZINC000303805252 855209669 /nfs/dbraw/zinc/20/96/69/855209669.db2.gz XSACQITYOSLJID-LAUBAEHRSA-N 1 1 421.501 4.130 20 5 HIBDMO Cc1csc(Sc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000303844267 855240837 /nfs/dbraw/zinc/24/08/37/855240837.db2.gz IYERCLAQPNFNGR-ZFWWWQNUSA-N 1 1 420.560 4.066 20 5 HIBDMO Cc1csc(Sc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000303844265 855241191 /nfs/dbraw/zinc/24/11/91/855241191.db2.gz IYERCLAQPNFNGR-HIFRSBDPSA-N 1 1 420.560 4.066 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)Nc1ccccc1[N+](=O)[O-] ZINC000410026823 855785574 /nfs/dbraw/zinc/78/55/74/855785574.db2.gz QQDFEJVVASZZBA-OAHLLOKOSA-N 1 1 414.531 4.138 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000437465978 862828071 /nfs/dbraw/zinc/82/80/71/862828071.db2.gz HRNURRAGCWIWSL-QZTJIDSGSA-N 1 1 413.543 4.198 20 5 HIBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000428716245 857308147 /nfs/dbraw/zinc/30/81/47/857308147.db2.gz IIHKGNLEFPOSAF-DYESRHJHSA-N 1 1 411.527 4.302 20 5 HIBDMO CC(C)([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000429256560 857578808 /nfs/dbraw/zinc/57/88/08/857578808.db2.gz WYXWUCSBECUHSN-UHFFFAOYSA-N 1 1 417.314 4.200 20 5 HIBDMO C[N@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143988 858052156 /nfs/dbraw/zinc/05/21/56/858052156.db2.gz CUBDNDRITFNVGW-LJQANCHMSA-N 1 1 420.307 4.145 20 5 HIBDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000430188567 858073597 /nfs/dbraw/zinc/07/35/97/858073597.db2.gz BASVGQLMHUPXHZ-UHFFFAOYSA-N 1 1 416.547 4.188 20 5 HIBDMO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000430188567 858073603 /nfs/dbraw/zinc/07/36/03/858073603.db2.gz BASVGQLMHUPXHZ-UHFFFAOYSA-N 1 1 416.547 4.188 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000430194566 858076498 /nfs/dbraw/zinc/07/64/98/858076498.db2.gz JWSJJBFLYPAHQZ-INIZCTEOSA-N 1 1 412.421 4.172 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000430999656 858398887 /nfs/dbraw/zinc/39/88/87/858398887.db2.gz MRBHCUSKPVMHDB-HNNXBMFYSA-N 1 1 401.488 4.031 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000431685799 858739904 /nfs/dbraw/zinc/73/99/04/858739904.db2.gz LEBARSDNINBHAZ-KXBFYZLASA-N 1 1 416.547 4.274 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431945870 858882159 /nfs/dbraw/zinc/88/21/59/858882159.db2.gz LFZPHWZFADGZNU-LSDHHAIUSA-N 1 1 424.339 4.084 20 5 HIBDMO CCOC(=O)c1csc(C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000433055408 859502995 /nfs/dbraw/zinc/50/29/95/859502995.db2.gz VZGRJFXGPUTUER-ALCCZGGFSA-N 1 1 401.488 4.121 20 5 HIBDMO CC1(C)C[C@@H]([NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c2cc([N+](=O)[O-])ccc21 ZINC000433171523 859552826 /nfs/dbraw/zinc/55/28/26/859552826.db2.gz DVSSSZCZRTWGMF-OAHLLOKOSA-N 1 1 405.380 4.169 20 5 HIBDMO CSCC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000433177795 859556588 /nfs/dbraw/zinc/55/65/88/859556588.db2.gz VPBYVFMZOSJMFI-QZTJIDSGSA-N 1 1 411.531 4.444 20 5 HIBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000434992873 860588967 /nfs/dbraw/zinc/58/89/67/860588967.db2.gz VOUSTXBWWOPFOT-QGZVFWFLSA-N 1 1 417.893 4.389 20 5 HIBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000435326460 860737206 /nfs/dbraw/zinc/73/72/06/860737206.db2.gz DAFRZTKHTGJLBR-FZMZJTMJSA-N 1 1 413.316 4.002 20 5 HIBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000435326462 860737670 /nfs/dbraw/zinc/73/76/70/860737670.db2.gz DAFRZTKHTGJLBR-RISCZKNCSA-N 1 1 413.316 4.002 20 5 HIBDMO CCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000435720702 861005255 /nfs/dbraw/zinc/00/52/55/861005255.db2.gz ZXQJEZQALRSCLG-IBGZPJMESA-N 1 1 411.502 4.120 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000437837482 863191965 /nfs/dbraw/zinc/19/19/65/863191965.db2.gz IFTGZXMDEKKESQ-GOSISDBHSA-N 1 1 403.526 4.208 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000437979983 863346736 /nfs/dbraw/zinc/34/67/36/863346736.db2.gz ZNHOEEHGQHGKJY-GHTZIAJQSA-N 1 1 422.529 4.322 20 5 HIBDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083358 864531009 /nfs/dbraw/zinc/53/10/09/864531009.db2.gz CDMNXJAFVWBLBA-IERDGZPVSA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083358 864531017 /nfs/dbraw/zinc/53/10/17/864531017.db2.gz CDMNXJAFVWBLBA-IERDGZPVSA-N 1 1 411.506 4.063 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000439155391 864587362 /nfs/dbraw/zinc/58/73/62/864587362.db2.gz PMMMBFLSTRMZQP-QAPCUYQASA-N 1 1 401.894 4.197 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000439519242 864861234 /nfs/dbraw/zinc/86/12/34/864861234.db2.gz HQSPNCIJDBKZEI-OAHLLOKOSA-N 1 1 401.772 4.470 20 5 HIBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817285 865133832 /nfs/dbraw/zinc/13/38/32/865133832.db2.gz AWYXEQCLVFGZNZ-JKSUJKDBSA-N 1 1 400.454 4.329 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000439910598 865219661 /nfs/dbraw/zinc/21/96/61/865219661.db2.gz HVWKGINBKJWLFF-IAGOWNOFSA-N 1 1 404.511 4.112 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000440544657 865813294 /nfs/dbraw/zinc/81/32/94/865813294.db2.gz HQUFQYANFPMNHM-SFHVURJKSA-N 1 1 415.921 4.161 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+][C@]2(CO)CCOc3ccccc32)ccc1Oc1ccc(F)cc1 ZINC000441382647 866453952 /nfs/dbraw/zinc/45/39/52/866453952.db2.gz NTYHZHYGHBBLGH-QHCPKHFHSA-N 1 1 424.428 4.286 20 5 HIBDMO CC1CCC([N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]2CCCO2)CC1 ZINC000441463337 866537580 /nfs/dbraw/zinc/53/75/80/866537580.db2.gz KEWATCRPCPNTTG-KVWWFHCMSA-N 1 1 400.479 4.205 20 5 HIBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000442635702 867579306 /nfs/dbraw/zinc/57/93/06/867579306.db2.gz QIVOGUFZGCFETG-SJLPKXTDSA-N 1 1 411.527 4.302 20 5 HIBDMO CO[C@@H](C)c1nc(CN2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000468238932 882135555 /nfs/dbraw/zinc/13/55/55/882135555.db2.gz ZLYCCUSPIKPVRX-CVEARBPZSA-N 1 1 404.536 4.028 20 5 HIBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000443859127 868391267 /nfs/dbraw/zinc/39/12/67/868391267.db2.gz WVCDUWRVSCXWBP-OAHLLOKOSA-N 1 1 405.376 4.238 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444009092 868531911 /nfs/dbraw/zinc/53/19/11/868531911.db2.gz IMWPFLVZPSASRH-HXUWFJFHSA-N 1 1 417.553 4.456 20 5 HIBDMO Cc1ccc(C)c([C@@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[C@@H](C)CO2)c1 ZINC000444199769 868661691 /nfs/dbraw/zinc/66/16/91/868661691.db2.gz SAGKRHIJXQMVLK-JTSKRJEESA-N 1 1 411.502 4.311 20 5 HIBDMO Cc1ccc(C)c([C@@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[C@@H](C)CO2)c1 ZINC000444199769 868661699 /nfs/dbraw/zinc/66/16/99/868661699.db2.gz SAGKRHIJXQMVLK-JTSKRJEESA-N 1 1 411.502 4.311 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000444661050 868938879 /nfs/dbraw/zinc/93/88/79/868938879.db2.gz HDOWYZFWASVODY-OLZOCXBDSA-N 1 1 417.416 4.326 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444671537 868949925 /nfs/dbraw/zinc/94/99/25/868949925.db2.gz GMCXFQMGHRBTQZ-UHFFFAOYSA-N 1 1 407.495 4.281 20 5 HIBDMO Cc1cc(Br)ccc1C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000444696825 868962555 /nfs/dbraw/zinc/96/25/55/868962555.db2.gz WQRSCJZWVSAENC-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000444696825 868962561 /nfs/dbraw/zinc/96/25/61/868962561.db2.gz WQRSCJZWVSAENC-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444828299 869036190 /nfs/dbraw/zinc/03/61/90/869036190.db2.gz MDQHIMZTQXCMAZ-HXUWFJFHSA-N 1 1 417.534 4.310 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177250 869261137 /nfs/dbraw/zinc/26/11/37/869261137.db2.gz GNWYDPPYKXSMDX-MJGOQNOKSA-N 1 1 411.505 4.247 20 5 HIBDMO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000447535514 871399975 /nfs/dbraw/zinc/39/99/75/871399975.db2.gz GQXONLWANIEGKI-QZTZHPFYSA-N 1 1 409.530 4.371 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CCO)c1ccccc1Br)CCC2 ZINC000447607072 871512387 /nfs/dbraw/zinc/51/23/87/871512387.db2.gz POBVPBGHFFCLPN-RTBURBONSA-N 1 1 405.292 4.448 20 5 HIBDMO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460363328 872994950 /nfs/dbraw/zinc/99/49/50/872994950.db2.gz NTIPPEOAQFHYAY-ZDUSSCGKSA-N 1 1 401.417 4.023 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448649 874507599 /nfs/dbraw/zinc/50/75/99/874507599.db2.gz KVYCOEQGAGSJPT-MJGOQNOKSA-N 1 1 421.522 4.404 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000461470547 874526329 /nfs/dbraw/zinc/52/63/29/874526329.db2.gz HFYOVUNPQVYHSX-KRWDZBQOSA-N 1 1 401.894 4.280 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000461474015 874529515 /nfs/dbraw/zinc/52/95/15/874529515.db2.gz YAAMZKLICPLOCJ-GOSISDBHSA-N 1 1 406.486 4.108 20 5 HIBDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000468855906 882892482 /nfs/dbraw/zinc/89/24/82/882892482.db2.gz GLHYAWQUEIFHOS-CQSZACIVSA-N 1 1 410.499 4.319 20 5 HIBDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000468855906 882892486 /nfs/dbraw/zinc/89/24/86/882892486.db2.gz GLHYAWQUEIFHOS-CQSZACIVSA-N 1 1 410.499 4.319 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462158497 875254798 /nfs/dbraw/zinc/25/47/98/875254798.db2.gz LXZDPGYXLJSYMQ-JXFKEZNVSA-N 1 1 413.543 4.346 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462477070 875584778 /nfs/dbraw/zinc/58/47/78/875584778.db2.gz VJMLONHFTHPSOK-GJZGRUSLSA-N 1 1 413.503 4.146 20 5 HIBDMO C[N@H+]1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1cccs1 ZINC000462882206 875910141 /nfs/dbraw/zinc/91/01/41/875910141.db2.gz SDQYKTBISBQXSO-JLTOFOAXSA-N 1 1 400.504 4.036 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462993590 876007953 /nfs/dbraw/zinc/00/79/53/876007953.db2.gz SWCWZQXXYGORQL-HLAWJBBLSA-N 1 1 401.551 4.277 20 5 HIBDMO O=[N+]([O-])c1cc(CNc2[nH+]cccc2N2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000463248370 876306668 /nfs/dbraw/zinc/30/66/68/876306668.db2.gz OQWUDMQWPOTDHF-UHFFFAOYSA-N 1 1 424.432 4.370 20 5 HIBDMO COc1cc(C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000464614926 877839189 /nfs/dbraw/zinc/83/91/89/877839189.db2.gz XHVLEZKYJQDKAY-NSHDSACASA-N 1 1 412.437 4.316 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738690 877974017 /nfs/dbraw/zinc/97/40/17/877974017.db2.gz SZJNSCXXFKFKCG-HUUCEWRRSA-N 1 1 401.429 4.169 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464765972 878007170 /nfs/dbraw/zinc/00/71/70/878007170.db2.gz BCDHKBNMJXAPKC-INIZCTEOSA-N 1 1 415.515 4.046 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464765972 878007191 /nfs/dbraw/zinc/00/71/91/878007191.db2.gz BCDHKBNMJXAPKC-INIZCTEOSA-N 1 1 415.515 4.046 20 5 HIBDMO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464769952 878011810 /nfs/dbraw/zinc/01/18/10/878011810.db2.gz ANYCRLDYDDPZMH-HNNXBMFYSA-N 1 1 415.515 4.187 20 5 HIBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779242 878024981 /nfs/dbraw/zinc/02/49/81/878024981.db2.gz UIOROIHXWWPLNW-HOCLYGCPSA-N 1 1 420.560 4.263 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464845243 878118057 /nfs/dbraw/zinc/11/80/57/878118057.db2.gz LWNHUXKSEGFCSK-QZTJIDSGSA-N 1 1 421.501 4.302 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464845245 878118507 /nfs/dbraw/zinc/11/85/07/878118507.db2.gz LWNHUXKSEGFCSK-ZWKOTPCHSA-N 1 1 421.501 4.302 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000465180947 878570612 /nfs/dbraw/zinc/57/06/12/878570612.db2.gz BQOVZXDMLIHONG-HNNXBMFYSA-N 1 1 408.458 4.049 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000503495400 912542820 /nfs/dbraw/zinc/54/28/20/912542820.db2.gz PIBGUJHRYZREON-SFHVURJKSA-N 1 1 417.893 4.081 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000503495228 912543213 /nfs/dbraw/zinc/54/32/13/912543213.db2.gz UKHUVIJMOLZOOM-QGZVFWFLSA-N 1 1 401.850 4.383 20 5 HIBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000466816939 880590585 /nfs/dbraw/zinc/59/05/85/880590585.db2.gz PMRRUDBMNHREJW-CQSZACIVSA-N 1 1 419.934 4.471 20 5 HIBDMO Cc1[nH+]ccn1CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467119351 880875935 /nfs/dbraw/zinc/87/59/35/880875935.db2.gz BCYAABHDASGVCG-UHFFFAOYSA-N 1 1 416.890 4.334 20 5 HIBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1cccc(O)c1 ZINC000471181342 885746551 /nfs/dbraw/zinc/74/65/51/885746551.db2.gz DZDBGFBRQRZOGL-LBPRGKRZSA-N 1 1 422.279 4.085 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1cccc(O)c1 ZINC000471181342 885746560 /nfs/dbraw/zinc/74/65/60/885746560.db2.gz DZDBGFBRQRZOGL-LBPRGKRZSA-N 1 1 422.279 4.085 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)c([N+](=O)[O-])c1 ZINC000473115476 887912479 /nfs/dbraw/zinc/91/24/79/887912479.db2.gz BJQQGMZDBWNGCM-QHCPKHFHSA-N 1 1 406.438 4.495 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000473441193 888162115 /nfs/dbraw/zinc/16/21/15/888162115.db2.gz METHWEQGTJTQMP-UHFFFAOYSA-N 1 1 409.845 4.249 20 5 HIBDMO CCOc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473501331 888227543 /nfs/dbraw/zinc/22/75/43/888227543.db2.gz CEOXUTUQAPILMY-XMMPIXPASA-N 1 1 423.513 4.122 20 5 HIBDMO COc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C)c(OC)c1 ZINC000474179603 889019088 /nfs/dbraw/zinc/01/90/88/889019088.db2.gz SUPNEQMYBAXLCN-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C)c(OC)c1 ZINC000474179603 889019104 /nfs/dbraw/zinc/01/91/04/889019104.db2.gz SUPNEQMYBAXLCN-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000475585009 890513677 /nfs/dbraw/zinc/51/36/77/890513677.db2.gz UMHKISJPZFEDBU-QGZVFWFLSA-N 1 1 404.850 4.137 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000475585009 890513682 /nfs/dbraw/zinc/51/36/82/890513682.db2.gz UMHKISJPZFEDBU-QGZVFWFLSA-N 1 1 404.850 4.137 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053522 891984573 /nfs/dbraw/zinc/98/45/73/891984573.db2.gz YPXIGHHUWTUQKX-VWNXMTODSA-N 1 1 423.513 4.476 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053522 891984587 /nfs/dbraw/zinc/98/45/87/891984587.db2.gz YPXIGHHUWTUQKX-VWNXMTODSA-N 1 1 423.513 4.476 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1SC ZINC000478042129 893177927 /nfs/dbraw/zinc/17/79/27/893177927.db2.gz RQAUOYJGISSYED-UHFFFAOYSA-N 1 1 409.895 4.293 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478332763 893567524 /nfs/dbraw/zinc/56/75/24/893567524.db2.gz CPOXDAQZUKTKJA-SFHVURJKSA-N 1 1 401.551 4.376 20 5 HIBDMO Cc1c(CNC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479727424 895025817 /nfs/dbraw/zinc/02/58/17/895025817.db2.gz BSFJBLWAXXECDU-PXNSSMCTSA-N 1 1 410.518 4.003 20 5 HIBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000479958673 895311760 /nfs/dbraw/zinc/31/17/60/895311760.db2.gz OQLHGEHGDITTPQ-QGZVFWFLSA-N 1 1 413.543 4.468 20 5 HIBDMO CCC(=O)c1ccc(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c([N+](=O)[O-])c1 ZINC000480008802 895359898 /nfs/dbraw/zinc/35/98/98/895359898.db2.gz BGEHATMHLPRTAP-UHFFFAOYSA-N 1 1 400.479 4.116 20 5 HIBDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000480533238 895896171 /nfs/dbraw/zinc/89/61/71/895896171.db2.gz ARQFPLNJGWZFIN-FXAWDEMLSA-N 1 1 416.591 4.246 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481176892 896511503 /nfs/dbraw/zinc/51/15/03/896511503.db2.gz OYFKIXRSDKKHIP-JTSKRJEESA-N 1 1 406.486 4.250 20 5 HIBDMO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481182773 896523709 /nfs/dbraw/zinc/52/37/09/896523709.db2.gz QCYGSEMQWHWFLO-ZDUSSCGKSA-N 1 1 401.417 4.023 20 5 HIBDMO CC(C)C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCc2cccnc21 ZINC000481413421 896818554 /nfs/dbraw/zinc/81/85/54/896818554.db2.gz KSDVVBIKLUALKQ-IBGZPJMESA-N 1 1 424.501 4.323 20 5 HIBDMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000481422102 896824232 /nfs/dbraw/zinc/82/42/32/896824232.db2.gz RUYJELPXHNBRAA-QFIPXVFZSA-N 1 1 402.454 4.240 20 5 HIBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481850218 897218112 /nfs/dbraw/zinc/21/81/12/897218112.db2.gz VEJVJNSRMUENRA-FXAWDEMLSA-N 1 1 413.905 4.375 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000482055435 897483405 /nfs/dbraw/zinc/48/34/05/897483405.db2.gz YFGBHQCOFALPLG-UHFFFAOYSA-N 1 1 415.506 4.038 20 5 HIBDMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482281420 897775033 /nfs/dbraw/zinc/77/50/33/897775033.db2.gz DVUXMTWAMZZTEF-ZEYPLWLESA-N 1 1 422.529 4.352 20 5 HIBDMO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000482443265 898005415 /nfs/dbraw/zinc/00/54/15/898005415.db2.gz YHDUQSVKEJRKED-UHFFFAOYSA-N 1 1 402.756 4.343 20 5 HIBDMO COCC1=CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000482516328 898102412 /nfs/dbraw/zinc/10/24/12/898102412.db2.gz ZSSBUFPTSRLCMM-UHFFFAOYSA-N 1 1 404.470 4.226 20 5 HIBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC[C@@H]21 ZINC000483165489 898834860 /nfs/dbraw/zinc/83/48/60/898834860.db2.gz CGLPKYXEFVZCJM-IERDGZPVSA-N 1 1 410.474 4.335 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000483682935 899341750 /nfs/dbraw/zinc/34/17/50/899341750.db2.gz MSOPGEPRCQCNDW-HSZRJFAPSA-N 1 1 422.529 4.179 20 5 HIBDMO C[N@@H+](Cc1ccccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCCCC1 ZINC000484762809 900177676 /nfs/dbraw/zinc/17/76/76/900177676.db2.gz NEMVHLBIIFWUKH-UHFFFAOYSA-N 1 1 411.458 4.340 20 5 HIBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000485043816 900380264 /nfs/dbraw/zinc/38/02/64/900380264.db2.gz RVUOXRDKXGRGAN-ZDUSSCGKSA-N 1 1 421.881 4.115 20 5 HIBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000485043816 900380278 /nfs/dbraw/zinc/38/02/78/900380278.db2.gz RVUOXRDKXGRGAN-ZDUSSCGKSA-N 1 1 421.881 4.115 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CCC4(CCC[N@@H+]4C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000485198233 900491115 /nfs/dbraw/zinc/49/11/15/900491115.db2.gz PXSDGZKYVQGKFI-UHFFFAOYSA-N 1 1 408.502 4.220 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[N@H+]1C ZINC000485385585 900682247 /nfs/dbraw/zinc/68/22/47/900682247.db2.gz RPKBNFRIRRDSOX-ZBFHGGJFSA-N 1 1 416.909 4.073 20 5 HIBDMO CSc1cccc(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000485757899 901015128 /nfs/dbraw/zinc/01/51/28/901015128.db2.gz JXKVTLOMSQRPLB-IBGZPJMESA-N 1 1 413.543 4.129 20 5 HIBDMO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978121 901194755 /nfs/dbraw/zinc/19/47/55/901194755.db2.gz VOCDUOFXMULUFX-SJCJKPOMSA-N 1 1 407.392 4.296 20 5 HIBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000505924347 914573237 /nfs/dbraw/zinc/57/32/37/914573237.db2.gz FSIPWAIQSVEINB-IKGGRYGDSA-N 1 1 423.941 4.129 20 5 HIBDMO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487268062 902128643 /nfs/dbraw/zinc/12/86/43/902128643.db2.gz LTAXHKJZBSIENV-DOTOQJQBSA-N 1 1 409.511 4.450 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000489530490 903441177 /nfs/dbraw/zinc/44/11/77/903441177.db2.gz DNVFGPYHDLVNFN-MJGOQNOKSA-N 1 1 410.518 4.182 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000489529902 903441849 /nfs/dbraw/zinc/44/18/49/903441849.db2.gz MUMRUXIHDJPFJK-HNNXBMFYSA-N 1 1 407.474 4.384 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000489574015 903472803 /nfs/dbraw/zinc/47/28/03/903472803.db2.gz RMAFVSOLBZFWPW-KNBMTAEXSA-N 1 1 416.547 4.408 20 5 HIBDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490049005 903741705 /nfs/dbraw/zinc/74/17/05/903741705.db2.gz VAXIGAWFTCAUJD-LJQANCHMSA-N 1 1 405.882 4.205 20 5 HIBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342796 903935774 /nfs/dbraw/zinc/93/57/74/903935774.db2.gz VOPJFRRTFNDWFS-KGLIPLIRSA-N 1 1 404.479 4.353 20 5 HIBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380481 903972446 /nfs/dbraw/zinc/97/24/46/903972446.db2.gz YPBUPMUHSCMOFR-QZTJIDSGSA-N 1 1 414.449 4.027 20 5 HIBDMO Cn1cc(C[N@@H+](C)Cc2ccc(Br)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506098129 914802257 /nfs/dbraw/zinc/80/22/57/914802257.db2.gz FGGCRCSHMSPIRH-UHFFFAOYSA-N 1 1 421.320 4.451 20 5 HIBDMO C[C@H](OC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830262 904274231 /nfs/dbraw/zinc/27/42/31/904274231.db2.gz WNSNEIVCVFASNW-BTYIYWSLSA-N 1 1 404.894 4.351 20 5 HIBDMO Cc1cc([C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)ccc1F ZINC000491135764 904448034 /nfs/dbraw/zinc/44/80/34/904448034.db2.gz ZAUJQGHLCZDSPO-OAQYLSRUSA-N 1 1 411.433 4.313 20 5 HIBDMO Cc1cc([C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)ccc1F ZINC000491135764 904448038 /nfs/dbraw/zinc/44/80/38/904448038.db2.gz ZAUJQGHLCZDSPO-OAQYLSRUSA-N 1 1 411.433 4.313 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1N1CCOCC1 ZINC000506140657 914820497 /nfs/dbraw/zinc/82/04/97/914820497.db2.gz GORONRUHTFUAOG-UHFFFAOYSA-N 1 1 407.470 4.323 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000491423155 904587876 /nfs/dbraw/zinc/58/78/76/904587876.db2.gz LEDMVNOFPWLZPE-NQIIRXRSSA-N 1 1 422.529 4.322 20 5 HIBDMO Cn1cc(C[N@@H+](C)CCOc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506148638 914825262 /nfs/dbraw/zinc/82/52/62/914825262.db2.gz SEOSIAAAXWGZEV-UHFFFAOYSA-N 1 1 400.866 4.160 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000492393974 904842125 /nfs/dbraw/zinc/84/21/25/904842125.db2.gz GHHOKGICEQIUJI-UHFFFAOYSA-N 1 1 415.449 4.452 20 5 HIBDMO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000493915368 905265341 /nfs/dbraw/zinc/26/53/41/905265341.db2.gz DLUVEDSQHYUPDN-FJNPEDAXSA-N 1 1 416.384 4.104 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000512399620 921135793 /nfs/dbraw/zinc/13/57/93/921135793.db2.gz VMBDVCKGNLJNHT-AZUAARDMSA-N 1 1 410.518 4.037 20 5 HIBDMO COC(=O)COc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000494039792 905382004 /nfs/dbraw/zinc/38/20/04/905382004.db2.gz QECOGSQKHNMKAD-QHCPKHFHSA-N 1 1 406.438 4.026 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000494164756 905502126 /nfs/dbraw/zinc/50/21/26/905502126.db2.gz RKZMAYQHWVJJAT-ICSRJNTNSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000494164756 905502133 /nfs/dbraw/zinc/50/21/33/905502133.db2.gz RKZMAYQHWVJJAT-ICSRJNTNSA-N 1 1 403.429 4.135 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427040 921155367 /nfs/dbraw/zinc/15/53/67/921155367.db2.gz KDVNNYPEWTTXQW-AFCDSYGPSA-N 1 1 412.465 4.281 20 5 HIBDMO CCOc1cc(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c([N+](=O)[O-])cc1OC ZINC000494537132 905818854 /nfs/dbraw/zinc/81/88/54/905818854.db2.gz SIUADXLDMQLUIN-UHFFFAOYSA-N 1 1 413.474 4.226 20 5 HIBDMO C[N@@H+](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000494865896 906049444 /nfs/dbraw/zinc/04/94/44/906049444.db2.gz VCAMRPIZBSYEFU-UHFFFAOYSA-N 1 1 411.502 4.168 20 5 HIBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CCc1cccs1 ZINC000494883459 906060026 /nfs/dbraw/zinc/06/00/26/906060026.db2.gz QLEFVBUHVMCPJH-ZDUSSCGKSA-N 1 1 416.528 4.281 20 5 HIBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)CCc1cccs1 ZINC000494883459 906060036 /nfs/dbraw/zinc/06/00/36/906060036.db2.gz QLEFVBUHVMCPJH-ZDUSSCGKSA-N 1 1 416.528 4.281 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497093081 906803681 /nfs/dbraw/zinc/80/36/81/906803681.db2.gz ALUUMPVMWKUAQE-PZJWPPBQSA-N 1 1 414.502 4.165 20 5 HIBDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497101894 906805080 /nfs/dbraw/zinc/80/50/80/906805080.db2.gz ZFYDZCPXJPCKOC-CTNGQTDRSA-N 1 1 414.502 4.165 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000497227799 906822844 /nfs/dbraw/zinc/82/28/44/906822844.db2.gz JTYWDXBUDTZQQX-UHFFFAOYSA-N 1 1 420.338 4.249 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1Cc1ccccc1 ZINC000498128864 907647951 /nfs/dbraw/zinc/64/79/51/907647951.db2.gz FQBXXEIKLQAIRG-IEBWSBKVSA-N 1 1 418.497 4.268 20 5 HIBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498383294 907871812 /nfs/dbraw/zinc/87/18/12/907871812.db2.gz PFMYHCOCGUAJIV-GOEBONIOSA-N 1 1 421.419 4.254 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000498464204 907929354 /nfs/dbraw/zinc/92/93/54/907929354.db2.gz YUHDYUZPDMOLTP-SFHVURJKSA-N 1 1 420.513 4.240 20 5 HIBDMO CC[N@@H+](C)CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000498741067 908170531 /nfs/dbraw/zinc/17/05/31/908170531.db2.gz WOZRONBSOXLTFT-SAPNQHFASA-N 1 1 424.526 4.203 20 5 HIBDMO O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000499666627 908870193 /nfs/dbraw/zinc/87/01/93/908870193.db2.gz FFHHLGHOULPGKD-UHFFFAOYSA-N 1 1 415.877 4.351 20 5 HIBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500785670 910078028 /nfs/dbraw/zinc/07/80/28/910078028.db2.gz HQSOCKMACVVKIQ-UHFFFAOYSA-N 1 1 423.922 4.301 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500846296 910120094 /nfs/dbraw/zinc/12/00/94/910120094.db2.gz YZDSQJYFKDOWFC-YJBOKZPZSA-N 1 1 422.510 4.284 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000513145454 921583174 /nfs/dbraw/zinc/58/31/74/921583174.db2.gz UCMTVZZZUQUEFT-YJJAZYOBSA-N 1 1 405.539 4.085 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000501726791 910790853 /nfs/dbraw/zinc/79/08/53/910790853.db2.gz CTNMCOGSPJQJLK-INIZCTEOSA-N 1 1 411.487 4.011 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000501726791 910790868 /nfs/dbraw/zinc/79/08/68/910790868.db2.gz CTNMCOGSPJQJLK-INIZCTEOSA-N 1 1 411.487 4.011 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000502377749 911363904 /nfs/dbraw/zinc/36/39/04/911363904.db2.gz QSZUSIKDNHHCSI-MRXNPFEDSA-N 1 1 423.448 4.089 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000502377749 911363915 /nfs/dbraw/zinc/36/39/15/911363915.db2.gz QSZUSIKDNHHCSI-MRXNPFEDSA-N 1 1 423.448 4.089 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000502823401 911838149 /nfs/dbraw/zinc/83/81/49/911838149.db2.gz AJNARPUBZMPTCJ-UHFFFAOYSA-N 1 1 413.543 4.275 20 5 HIBDMO Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000502897755 911889765 /nfs/dbraw/zinc/88/97/65/911889765.db2.gz ZTLQDTCSNKGCCM-UHFFFAOYSA-N 1 1 402.410 4.382 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000506457610 915056687 /nfs/dbraw/zinc/05/66/87/915056687.db2.gz WHWQVKMPYNTUNH-UHFFFAOYSA-N 1 1 421.856 4.247 20 5 HIBDMO CCCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000506806521 915555244 /nfs/dbraw/zinc/55/52/44/915555244.db2.gz QPKHUBZIIBJDMH-HNNXBMFYSA-N 1 1 408.545 4.113 20 5 HIBDMO CCCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000506806521 915555262 /nfs/dbraw/zinc/55/52/62/915555262.db2.gz QPKHUBZIIBJDMH-HNNXBMFYSA-N 1 1 408.545 4.113 20 5 HIBDMO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000513417000 921784774 /nfs/dbraw/zinc/78/47/74/921784774.db2.gz SFLGKDJPTOKNPP-LJQANCHMSA-N 1 1 409.442 4.302 20 5 HIBDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000513417000 921784790 /nfs/dbraw/zinc/78/47/90/921784790.db2.gz SFLGKDJPTOKNPP-LJQANCHMSA-N 1 1 409.442 4.302 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000507248066 916009842 /nfs/dbraw/zinc/00/98/42/916009842.db2.gz SEYBYDOQMIRGMK-WDEREUQCSA-N 1 1 410.243 4.174 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000507565380 916320793 /nfs/dbraw/zinc/32/07/93/916320793.db2.gz JOIBOIXBDWEUCS-UHFFFAOYSA-N 1 1 418.457 4.100 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000507636472 916395336 /nfs/dbraw/zinc/39/53/36/916395336.db2.gz OQJGPOMZAPXYAM-KRWDZBQOSA-N 1 1 421.501 4.185 20 5 HIBDMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)CC1 ZINC000508171777 916992633 /nfs/dbraw/zinc/99/26/33/916992633.db2.gz JCXUTDSIKOCHJB-UHFFFAOYSA-N 1 1 424.504 4.028 20 5 HIBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508582823 917352852 /nfs/dbraw/zinc/35/28/52/917352852.db2.gz NYXCZPRVBLKCRE-HIFRSBDPSA-N 1 1 403.866 4.126 20 5 HIBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508582825 917353305 /nfs/dbraw/zinc/35/33/05/917353305.db2.gz NYXCZPRVBLKCRE-ZFWWWQNUSA-N 1 1 403.866 4.126 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+][C@H](C[S@](C)=O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000508642789 917406847 /nfs/dbraw/zinc/40/68/47/917406847.db2.gz YJXQIUCGOCGTIK-XBBWARJSSA-N 1 1 414.483 4.073 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](C[S@@](C)=O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000508642783 917406888 /nfs/dbraw/zinc/40/68/88/917406888.db2.gz YJXQIUCGOCGTIK-ADXZGYQBSA-N 1 1 414.483 4.073 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](Cc4nccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000508681784 917445831 /nfs/dbraw/zinc/44/58/31/917445831.db2.gz VZZLMASPPLRRNN-MRXNPFEDSA-N 1 1 410.474 4.052 20 5 HIBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000509455501 918107236 /nfs/dbraw/zinc/10/72/36/918107236.db2.gz XFBNHOWWKIQLBY-IBGZPJMESA-N 1 1 419.934 4.294 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000509531306 918179751 /nfs/dbraw/zinc/17/97/51/918179751.db2.gz CKFOBBXLOUTAJN-OAQYLSRUSA-N 1 1 408.502 4.192 20 5 HIBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OCC(F)(F)F)cc1 ZINC000509598774 918247879 /nfs/dbraw/zinc/24/78/79/918247879.db2.gz GRBMUVCWDHTJRW-GFCCVEGCSA-N 1 1 412.364 4.253 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@H+]1Cc1ccccc1 ZINC000510111818 918672615 /nfs/dbraw/zinc/67/26/15/918672615.db2.gz FMESCZDJZYSSRD-FUHWJXTLSA-N 1 1 407.470 4.372 20 5 HIBDMO CC[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC)c(OC)c1 ZINC000510189527 918738809 /nfs/dbraw/zinc/73/88/09/918738809.db2.gz AJPYXJUSBSYXSU-DYVFJYSZSA-N 1 1 412.446 4.464 20 5 HIBDMO Cc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000510927845 919450604 /nfs/dbraw/zinc/45/06/04/919450604.db2.gz ILQHWECZKNGYRR-ZIAGYGMSSA-N 1 1 424.339 4.049 20 5 HIBDMO COc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Br ZINC000511067010 919668203 /nfs/dbraw/zinc/66/82/03/919668203.db2.gz TWSRQSQNKPTLMS-JTQLQIEISA-N 1 1 405.252 4.093 20 5 HIBDMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097492 919701540 /nfs/dbraw/zinc/70/15/40/919701540.db2.gz VSSAGXFZFOBUAA-CQSZACIVSA-N 1 1 405.882 4.067 20 5 HIBDMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097492 919701559 /nfs/dbraw/zinc/70/15/59/919701559.db2.gz VSSAGXFZFOBUAA-CQSZACIVSA-N 1 1 405.882 4.067 20 5 HIBDMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000511118643 919729015 /nfs/dbraw/zinc/72/90/15/919729015.db2.gz AZQSOSJQODFOGB-UHFFFAOYSA-N 1 1 419.441 4.283 20 5 HIBDMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000511118643 919729028 /nfs/dbraw/zinc/72/90/28/919729028.db2.gz AZQSOSJQODFOGB-UHFFFAOYSA-N 1 1 419.441 4.283 20 5 HIBDMO Cn1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511646494 920313781 /nfs/dbraw/zinc/31/37/81/920313781.db2.gz HHZMZDUMXLTCIX-QFIPXVFZSA-N 1 1 406.486 4.177 20 5 HIBDMO COc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000511823235 920520357 /nfs/dbraw/zinc/52/03/57/920520357.db2.gz NQLFLHROACWYOL-UHFFFAOYSA-N 1 1 411.502 4.298 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511894140 920629629 /nfs/dbraw/zinc/62/96/29/920629629.db2.gz QUASWZSVDADPNN-ZCNNSNEGSA-N 1 1 407.470 4.161 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000512086553 920850562 /nfs/dbraw/zinc/85/05/62/920850562.db2.gz AKPRMOIACXLPGQ-INIZCTEOSA-N 1 1 406.486 4.238 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178785 920918910 /nfs/dbraw/zinc/91/89/10/920918910.db2.gz KIZPLCBUZXVFIF-RTBURBONSA-N 1 1 411.550 4.082 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512230519 920983894 /nfs/dbraw/zinc/98/38/94/920983894.db2.gz SPASTRQJGMSVMV-MRXNPFEDSA-N 1 1 408.380 4.010 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCSCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000513661956 921984673 /nfs/dbraw/zinc/98/46/73/921984673.db2.gz RNXBFHOZHFBFNY-LJQANCHMSA-N 1 1 400.479 4.080 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513690387 922012644 /nfs/dbraw/zinc/01/26/44/922012644.db2.gz JOKQMRBUFWRLHT-IBGZPJMESA-N 1 1 400.479 4.329 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCN(c4cccnn4)CC3)o2)c(Cl)c1 ZINC000513696672 922016699 /nfs/dbraw/zinc/01/66/99/922016699.db2.gz BZPQRBRYOYVLID-UHFFFAOYSA-N 1 1 413.865 4.011 20 5 HIBDMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000513712877 922032127 /nfs/dbraw/zinc/03/21/27/922032127.db2.gz GWOVJRSMFYROLZ-GFCCVEGCSA-N 1 1 417.849 4.141 20 5 HIBDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000513712877 922032140 /nfs/dbraw/zinc/03/21/40/922032140.db2.gz GWOVJRSMFYROLZ-GFCCVEGCSA-N 1 1 417.849 4.141 20 5 HIBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000514129094 922463650 /nfs/dbraw/zinc/46/36/50/922463650.db2.gz RTIHOEOSZFKPID-IBGZPJMESA-N 1 1 413.474 4.086 20 5 HIBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000514129095 922464008 /nfs/dbraw/zinc/46/40/08/922464008.db2.gz RTIHOEOSZFKPID-LJQANCHMSA-N 1 1 413.474 4.086 20 5 HIBDMO COC(=O)c1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])c1 ZINC000515574136 923190509 /nfs/dbraw/zinc/19/05/09/923190509.db2.gz LUMYPBZKOPPSGU-HNNXBMFYSA-N 1 1 411.458 4.008 20 5 HIBDMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1csc([N+](=O)[O-])c1 ZINC000515936014 923450268 /nfs/dbraw/zinc/45/02/68/923450268.db2.gz DGXDPRLYOIGIOD-UHFFFAOYSA-N 1 1 413.421 4.070 20 5 HIBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000520312684 928473742 /nfs/dbraw/zinc/47/37/42/928473742.db2.gz MCTZXISSQPVXSC-LJQANCHMSA-N 1 1 419.569 4.172 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000521883175 929533413 /nfs/dbraw/zinc/53/34/13/929533413.db2.gz ISAUMKJCRYQEHV-IBGZPJMESA-N 1 1 424.526 4.331 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355020 930192886 /nfs/dbraw/zinc/19/28/86/930192886.db2.gz QVEMNGDTSCAZKF-FPOVZHCZSA-N 1 1 416.566 4.214 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000525650731 930382946 /nfs/dbraw/zinc/38/29/46/930382946.db2.gz BGDFKBGTFJXCBC-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000525650731 930382951 /nfs/dbraw/zinc/38/29/51/930382951.db2.gz BGDFKBGTFJXCBC-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527108130 930592601 /nfs/dbraw/zinc/59/26/01/930592601.db2.gz SXHHNOQWHKREEC-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO C[C@@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000530574358 930755956 /nfs/dbraw/zinc/75/59/56/930755956.db2.gz RGDOLCLLOGIHMX-LJQANCHMSA-N 1 1 403.482 4.474 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000531758728 931185078 /nfs/dbraw/zinc/18/50/78/931185078.db2.gz FAFMLPQNMUXNLC-SFTDATJTSA-N 1 1 415.559 4.181 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)s2)cc1 ZINC000532628219 931560274 /nfs/dbraw/zinc/56/02/74/931560274.db2.gz BWUSUJGMLVKJRL-LEWJYISDSA-N 1 1 415.559 4.181 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000532651284 931569225 /nfs/dbraw/zinc/56/92/25/931569225.db2.gz QDFRNQQJIOYSNW-FPOVZHCZSA-N 1 1 424.545 4.217 20 5 HIBDMO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000532669677 931578224 /nfs/dbraw/zinc/57/82/24/931578224.db2.gz OLLRXDWOFMDZOD-INIZCTEOSA-N 1 1 423.542 4.429 20 5 HIBDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 ZINC000532925427 931697117 /nfs/dbraw/zinc/69/71/17/931697117.db2.gz CIALQIONYWBQLO-UHFFFAOYSA-N 1 1 422.485 4.288 20 5 HIBDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 ZINC000532925427 931697124 /nfs/dbraw/zinc/69/71/24/931697124.db2.gz CIALQIONYWBQLO-UHFFFAOYSA-N 1 1 422.485 4.288 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000533032635 931747203 /nfs/dbraw/zinc/74/72/03/931747203.db2.gz FMDLKRADEWQXFK-ZDUSSCGKSA-N 1 1 409.273 4.147 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000533032635 931747209 /nfs/dbraw/zinc/74/72/09/931747209.db2.gz FMDLKRADEWQXFK-ZDUSSCGKSA-N 1 1 409.273 4.147 20 5 HIBDMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000533036532 931747921 /nfs/dbraw/zinc/74/79/21/931747921.db2.gz GOGAPEKMEPEAOK-UHFFFAOYSA-N 1 1 411.502 4.085 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000533048475 931753872 /nfs/dbraw/zinc/75/38/72/931753872.db2.gz CRHDNCVYICYWPT-UHFFFAOYSA-N 1 1 415.465 4.372 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cccc4c3OCCCO4)o2)c([N+](=O)[O-])c1 ZINC000533208011 931809057 /nfs/dbraw/zinc/80/90/57/931809057.db2.gz ONVFRRQZSUFCCP-UHFFFAOYSA-N 1 1 410.426 4.315 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533346229 931843991 /nfs/dbraw/zinc/84/39/91/931843991.db2.gz MROFSGODDIIIET-GJZGRUSLSA-N 1 1 416.478 4.150 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533346229 931843992 /nfs/dbraw/zinc/84/39/92/931843992.db2.gz MROFSGODDIIIET-GJZGRUSLSA-N 1 1 416.478 4.150 20 5 HIBDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533351035 931845910 /nfs/dbraw/zinc/84/59/10/931845910.db2.gz MVLCUHAMKQMZAG-UHFFFAOYSA-N 1 1 404.470 4.137 20 5 HIBDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533351035 931845912 /nfs/dbraw/zinc/84/59/12/931845912.db2.gz MVLCUHAMKQMZAG-UHFFFAOYSA-N 1 1 404.470 4.137 20 5 HIBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533369253 931850963 /nfs/dbraw/zinc/85/09/63/931850963.db2.gz GYXBNIXCTQYQQT-MRXNPFEDSA-N 1 1 412.421 4.042 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000533440999 931870415 /nfs/dbraw/zinc/87/04/15/931870415.db2.gz QSTRQOPJWCNYJN-HNNXBMFYSA-N 1 1 401.850 4.036 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484324 931881186 /nfs/dbraw/zinc/88/11/86/931881186.db2.gz HBPIGMGQFQRBPJ-WIYYLYMNSA-N 1 1 424.545 4.217 20 5 HIBDMO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2OC)cc1 ZINC000533563494 931901947 /nfs/dbraw/zinc/90/19/47/931901947.db2.gz ADFZZHQIYOWEHV-HSZRJFAPSA-N 1 1 408.454 4.500 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000534063589 932242141 /nfs/dbraw/zinc/24/21/41/932242141.db2.gz YXIJCFFSZUEFKF-IAGOWNOFSA-N 1 1 409.273 4.469 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000534063589 932242156 /nfs/dbraw/zinc/24/21/56/932242156.db2.gz YXIJCFFSZUEFKF-IAGOWNOFSA-N 1 1 409.273 4.469 20 5 HIBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000534270000 932373422 /nfs/dbraw/zinc/37/34/22/932373422.db2.gz ZMSBNBOXCZTLEK-UHFFFAOYSA-N 1 1 410.518 4.153 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000534632068 932610899 /nfs/dbraw/zinc/61/08/99/932610899.db2.gz KSGCYTOYWMRRIA-QGZVFWFLSA-N 1 1 420.513 4.167 20 5 HIBDMO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000535554597 933239740 /nfs/dbraw/zinc/23/97/40/933239740.db2.gz YCONKUWPHVBLMP-IBGZPJMESA-N 1 1 406.486 4.204 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535669292 933315016 /nfs/dbraw/zinc/31/50/16/933315016.db2.gz KGEIAILTLWLMBM-UHFFFAOYSA-N 1 1 413.905 4.377 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)ccc1Oc1ccc(F)cc1 ZINC000535822653 933416479 /nfs/dbraw/zinc/41/64/79/933416479.db2.gz NUWOIHUBENODSW-XLIONFOSSA-N 1 1 404.463 4.233 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)ccc1Oc1ccc(F)cc1 ZINC000535822653 933416485 /nfs/dbraw/zinc/41/64/85/933416485.db2.gz NUWOIHUBENODSW-XLIONFOSSA-N 1 1 404.463 4.233 20 5 HIBDMO COc1ccc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)cc1[N+](=O)[O-] ZINC000537306736 933708053 /nfs/dbraw/zinc/70/80/53/933708053.db2.gz QTHGDZFVNLNSNC-UHFFFAOYSA-N 1 1 417.263 4.046 20 5 HIBDMO Cc1ccc(Sc2ccc(C[N@@H+]3CCC[C@]4(CNC(=O)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000537614874 938333241 /nfs/dbraw/zinc/33/32/41/938333241.db2.gz GDHQVWGWGJYCSU-QFIPXVFZSA-N 1 1 411.527 4.157 20 5 HIBDMO Cc1ccc(Sc2ccc(C[N@H+]3CCC[C@]4(CNC(=O)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000537614874 938333246 /nfs/dbraw/zinc/33/32/46/938333246.db2.gz GDHQVWGWGJYCSU-QFIPXVFZSA-N 1 1 411.527 4.157 20 5 HIBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000537660869 938348800 /nfs/dbraw/zinc/34/88/00/938348800.db2.gz JYJRSEZZYIDPDD-LJQANCHMSA-N 1 1 400.475 4.041 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000537661686 938348918 /nfs/dbraw/zinc/34/89/18/938348918.db2.gz MUUSEFNFISHAHP-OXJNMPFZSA-N 1 1 401.532 4.394 20 5 HIBDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537698558 938358390 /nfs/dbraw/zinc/35/83/90/938358390.db2.gz WXYIZOIBNWQZEU-UIAACRFSSA-N 1 1 401.532 4.007 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000537937963 938423274 /nfs/dbraw/zinc/42/32/74/938423274.db2.gz HCBORWFYJMECHY-IWMITWMQSA-N 1 1 403.910 4.279 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000537943437 938426884 /nfs/dbraw/zinc/42/68/84/938426884.db2.gz NWMFVWCPCLEZSE-JHVJFLLYSA-N 1 1 403.910 4.279 20 5 HIBDMO COc1cc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000538130014 938514952 /nfs/dbraw/zinc/51/49/52/938514952.db2.gz PHRBIAZPMPGXNY-NSHDSACASA-N 1 1 409.389 4.014 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000538169029 938533684 /nfs/dbraw/zinc/53/36/84/938533684.db2.gz AYYIJHXFLIRUFP-IBGZPJMESA-N 1 1 423.444 4.391 20 5 HIBDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(C)C)ccc2NC1=O ZINC000538259025 938576751 /nfs/dbraw/zinc/57/67/51/938576751.db2.gz UPFXSGJTZCDMSJ-LIRRHRJNSA-N 1 1 413.474 4.342 20 5 HIBDMO CC(=O)N(c1nc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cs1)c1ccc(C)cc1 ZINC000538421546 938617084 /nfs/dbraw/zinc/61/70/84/938617084.db2.gz YCMWFTWIYKNBAG-UHFFFAOYSA-N 1 1 410.499 4.377 20 5 HIBDMO COc1ccc(C[N@@H+]2CCOCC23CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538762269 938704306 /nfs/dbraw/zinc/70/43/06/938704306.db2.gz HSAIMNSIQKNDFP-UHFFFAOYSA-N 1 1 412.486 4.327 20 5 HIBDMO COc1ccc(C[N@H+]2CCOCC23CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538762269 938704311 /nfs/dbraw/zinc/70/43/11/938704311.db2.gz HSAIMNSIQKNDFP-UHFFFAOYSA-N 1 1 412.486 4.327 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538791584 938712765 /nfs/dbraw/zinc/71/27/65/938712765.db2.gz FDYLUPSISYEXDO-PZJWPPBQSA-N 1 1 412.486 4.183 20 5 HIBDMO CC[N@@H+](CCC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)CC1CC1 ZINC000538948587 938745672 /nfs/dbraw/zinc/74/56/72/938745672.db2.gz MMBKMMMDACBHDN-GOSISDBHSA-N 1 1 416.566 4.064 20 5 HIBDMO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538957203 938749465 /nfs/dbraw/zinc/74/94/65/938749465.db2.gz RDGBQWUKZDETCE-MRXNPFEDSA-N 1 1 421.501 4.171 20 5 HIBDMO COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1C ZINC000563483761 945201009 /nfs/dbraw/zinc/20/10/09/945201009.db2.gz UBGUFFCJOPZHLO-UHFFFAOYSA-N 1 1 412.534 4.020 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC4(CCC4)C3)o2)c(Br)c1 ZINC000539821312 938944366 /nfs/dbraw/zinc/94/43/66/938944366.db2.gz QUFYIJCWMPFLBI-UHFFFAOYSA-N 1 1 407.264 4.372 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC4(CCC4)C3)o2)c(Br)c1 ZINC000539821312 938944369 /nfs/dbraw/zinc/94/43/69/938944369.db2.gz QUFYIJCWMPFLBI-UHFFFAOYSA-N 1 1 407.264 4.372 20 5 HIBDMO CCOc1cc(C[N@H+]2C[C@H](C)C[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539828503 938948751 /nfs/dbraw/zinc/94/87/51/938948751.db2.gz APNYOIXKNBRHFU-VQIMIIECSA-N 1 1 416.522 4.198 20 5 HIBDMO COc1cc(C[N@@H+]2CCOCC23CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539860246 938959655 /nfs/dbraw/zinc/95/96/55/938959655.db2.gz ORDFPUBCHUFSNE-UHFFFAOYSA-N 1 1 412.486 4.327 20 5 HIBDMO COc1cc(C[N@H+]2CCOCC23CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539860246 938959661 /nfs/dbraw/zinc/95/96/61/938959661.db2.gz ORDFPUBCHUFSNE-UHFFFAOYSA-N 1 1 412.486 4.327 20 5 HIBDMO COc1ccccc1[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000540162167 939097255 /nfs/dbraw/zinc/09/72/55/939097255.db2.gz HTOGUKCZFIEKLS-OYHNWAKOSA-N 1 1 409.442 4.293 20 5 HIBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563693010 945251937 /nfs/dbraw/zinc/25/19/37/945251937.db2.gz PQRLSKDREWESAW-HNNXBMFYSA-N 1 1 407.392 4.008 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000541419474 939510880 /nfs/dbraw/zinc/51/08/80/939510880.db2.gz HNTJWBOECKKLMN-UHFFFAOYSA-N 1 1 423.473 4.293 20 5 HIBDMO C[N@H+]1CC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541576026 939559139 /nfs/dbraw/zinc/55/91/39/939559139.db2.gz QPFZJMPHAFNFPL-ORAYPTAESA-N 1 1 415.856 4.435 20 5 HIBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541597447 939563378 /nfs/dbraw/zinc/56/33/78/939563378.db2.gz DHZLWONNUQWEIM-YLJYHZDGSA-N 1 1 417.575 4.433 20 5 HIBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541679638 939598625 /nfs/dbraw/zinc/59/86/25/939598625.db2.gz VMLGFNACVOYYNN-OALUTQOASA-N 1 1 403.548 4.234 20 5 HIBDMO CN(C)c1nccc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000541852611 939647197 /nfs/dbraw/zinc/64/71/97/939647197.db2.gz FYIDABSDVYONIP-UHFFFAOYSA-N 1 1 413.865 4.186 20 5 HIBDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890517 939649396 /nfs/dbraw/zinc/64/93/96/939649396.db2.gz NFJAWBBBHUQUMB-PKOBYXMFSA-N 1 1 406.486 4.040 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000541985780 939670205 /nfs/dbraw/zinc/67/02/05/939670205.db2.gz NLGPISMRVYTUNZ-JENIJYKNSA-N 1 1 407.555 4.333 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000543197582 939992408 /nfs/dbraw/zinc/99/24/08/939992408.db2.gz LMFLHYQEDWCIMY-QFIPXVFZSA-N 1 1 422.529 4.143 20 5 HIBDMO CCc1ccc([C@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403624 940052708 /nfs/dbraw/zinc/05/27/08/940052708.db2.gz IDECNMIYQSOUNG-JOCHJYFZSA-N 1 1 403.442 4.210 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]CCNC(=O)c2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543425140 940060921 /nfs/dbraw/zinc/06/09/21/940060921.db2.gz NXQRCSNTNCPYRC-QFIPXVFZSA-N 1 1 407.470 4.168 20 5 HIBDMO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000543480169 940078188 /nfs/dbraw/zinc/07/81/88/940078188.db2.gz KKORCMILBFNGQT-BPIHKTFHSA-N 1 1 411.477 4.149 20 5 HIBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543556579 940107835 /nfs/dbraw/zinc/10/78/35/940107835.db2.gz FXLNRXREVDVEGV-APWZRJJASA-N 1 1 421.856 4.178 20 5 HIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560973 940109376 /nfs/dbraw/zinc/10/93/76/940109376.db2.gz ROYHAHAFTDGCMB-MOPGFXCFSA-N 1 1 412.421 4.136 20 5 HIBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)[nH]1 ZINC000543621218 940136682 /nfs/dbraw/zinc/13/66/82/940136682.db2.gz IHTLOLVGQGSFDF-ZDUSSCGKSA-N 1 1 401.854 4.314 20 5 HIBDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 ZINC000543621218 940136695 /nfs/dbraw/zinc/13/66/95/940136695.db2.gz IHTLOLVGQGSFDF-ZDUSSCGKSA-N 1 1 401.854 4.314 20 5 HIBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 ZINC000543621218 940136704 /nfs/dbraw/zinc/13/67/04/940136704.db2.gz IHTLOLVGQGSFDF-ZDUSSCGKSA-N 1 1 401.854 4.314 20 5 HIBDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n[nH]1 ZINC000543621218 940136714 /nfs/dbraw/zinc/13/67/14/940136714.db2.gz IHTLOLVGQGSFDF-ZDUSSCGKSA-N 1 1 401.854 4.314 20 5 HIBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n[nH]1 ZINC000543621218 940136722 /nfs/dbraw/zinc/13/67/22/940136722.db2.gz IHTLOLVGQGSFDF-ZDUSSCGKSA-N 1 1 401.854 4.314 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000543644416 940147408 /nfs/dbraw/zinc/14/74/08/940147408.db2.gz JZADDGWDSDFIPW-LAUBAEHRSA-N 1 1 412.465 4.252 20 5 HIBDMO O=[N+]([O-])c1cccc([C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2)c1 ZINC000543777452 940183602 /nfs/dbraw/zinc/18/36/02/940183602.db2.gz WHAZSGJUWVFDLA-LOSJGSFVSA-N 1 1 417.509 4.041 20 5 HIBDMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543856171 940211135 /nfs/dbraw/zinc/21/11/35/940211135.db2.gz BFAWDJDAPCJAPZ-UHFFFAOYSA-N 1 1 403.866 4.108 20 5 HIBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000544118264 940331303 /nfs/dbraw/zinc/33/13/03/940331303.db2.gz SRHGKLPPJSWXLL-YWZLYKJASA-N 1 1 413.474 4.024 20 5 HIBDMO CCc1ccc([C@H]([NH2+]CCOc2cccc(NC(C)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544379390 940406914 /nfs/dbraw/zinc/40/69/14/940406914.db2.gz CNCHVTXANYZBGM-HSZRJFAPSA-N 1 1 423.469 4.467 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)CC1CC1 ZINC000544540962 940475497 /nfs/dbraw/zinc/47/54/97/940475497.db2.gz VRDZAOLDNXXEES-MRXNPFEDSA-N 1 1 405.514 4.198 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCOC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000545303579 940560741 /nfs/dbraw/zinc/56/07/41/940560741.db2.gz AJGBSTDHYOQKAI-UHFFFAOYSA-N 1 1 411.502 4.134 20 5 HIBDMO C[N@H+]1CCCN(c2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)cc2Cl)CC1 ZINC000545775685 940585054 /nfs/dbraw/zinc/58/50/54/940585054.db2.gz VUZUDTGETAYKAI-UHFFFAOYSA-N 1 1 413.865 4.107 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCC[N@@H+]4Cc4ccccc4)n3)c2c1 ZINC000545782522 940590208 /nfs/dbraw/zinc/59/02/08/940590208.db2.gz WCJUXHDULYZDPD-HXUWFJFHSA-N 1 1 403.442 4.387 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCC[N@H+]4Cc4ccccc4)n3)c2c1 ZINC000545782522 940590209 /nfs/dbraw/zinc/59/02/09/940590209.db2.gz WCJUXHDULYZDPD-HXUWFJFHSA-N 1 1 403.442 4.387 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCC[N@@H+]4Cc4ccccc4)n3)c2c1 ZINC000545782521 940590227 /nfs/dbraw/zinc/59/02/27/940590227.db2.gz WCJUXHDULYZDPD-FQEVSTJZSA-N 1 1 403.442 4.387 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCC[N@H+]4Cc4ccccc4)n3)c2c1 ZINC000545782521 940590228 /nfs/dbraw/zinc/59/02/28/940590228.db2.gz WCJUXHDULYZDPD-FQEVSTJZSA-N 1 1 403.442 4.387 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC3(CCOCC3)C2)cc1OC ZINC000563988102 945337626 /nfs/dbraw/zinc/33/76/26/945337626.db2.gz OSFUBTJXPTYNBJ-KRWDZBQOSA-N 1 1 406.523 4.421 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000546610903 940860988 /nfs/dbraw/zinc/86/09/88/940860988.db2.gz FGJJEKASQHAROO-LJQANCHMSA-N 1 1 422.485 4.213 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000546645407 940864634 /nfs/dbraw/zinc/86/46/34/940864634.db2.gz IYCOTLTXAFDTPZ-CQSZACIVSA-N 1 1 419.934 4.471 20 5 HIBDMO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000547084891 940989198 /nfs/dbraw/zinc/98/91/98/940989198.db2.gz HKURZSKRCVPZBT-GOSISDBHSA-N 1 1 407.474 4.012 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547263894 941047532 /nfs/dbraw/zinc/04/75/32/941047532.db2.gz KNBURNBPXIUZOD-SJORKVTESA-N 1 1 405.514 4.125 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+][C@H](CC(=O)N(C)C)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000549172201 941168425 /nfs/dbraw/zinc/16/84/25/941168425.db2.gz WKLPFNWMGXKYMK-HXUWFJFHSA-N 1 1 423.469 4.173 20 5 HIBDMO C[NH+](C)C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 ZINC000549230279 941172467 /nfs/dbraw/zinc/17/24/67/941172467.db2.gz NYQPXHVQVQXYAR-QFIPXVFZSA-N 1 1 419.912 4.367 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000550393465 941321703 /nfs/dbraw/zinc/32/17/03/941321703.db2.gz LRCDAOWHDLIICB-KRWDZBQOSA-N 1 1 403.866 4.039 20 5 HIBDMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000551341373 941456991 /nfs/dbraw/zinc/45/69/91/941456991.db2.gz WAFNWSNWDRGWKF-ZDUSSCGKSA-N 1 1 419.787 4.197 20 5 HIBDMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000551341373 941456993 /nfs/dbraw/zinc/45/69/93/941456993.db2.gz WAFNWSNWDRGWKF-ZDUSSCGKSA-N 1 1 419.787 4.197 20 5 HIBDMO CCOc1ccc([C@H](C)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000551563323 941501985 /nfs/dbraw/zinc/50/19/85/941501985.db2.gz FTXRXOXSKFSUAW-KRWDZBQOSA-N 1 1 413.518 4.317 20 5 HIBDMO COc1ccncc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000552060768 941576421 /nfs/dbraw/zinc/57/64/21/941576421.db2.gz IPFKWNAUYQNMDS-UHFFFAOYSA-N 1 1 418.247 4.311 20 5 HIBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)cn1 ZINC000552077082 941580915 /nfs/dbraw/zinc/58/09/15/941580915.db2.gz VXLPHSVUIZQHDX-KRWDZBQOSA-N 1 1 410.449 4.324 20 5 HIBDMO CC(C)(C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000552110483 941586966 /nfs/dbraw/zinc/58/69/66/941586966.db2.gz POGFJRQEAHKYEU-IBGZPJMESA-N 1 1 407.470 4.113 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000552248612 941613478 /nfs/dbraw/zinc/61/34/78/941613478.db2.gz MVBGPZINFOMBHQ-QFIPXVFZSA-N 1 1 407.518 4.048 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552252788 941614496 /nfs/dbraw/zinc/61/44/96/941614496.db2.gz XSCZTQDSPCBWNS-CEMLEFRQSA-N 1 1 406.486 4.175 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552252791 941614527 /nfs/dbraw/zinc/61/45/27/941614527.db2.gz XSCZTQDSPCBWNS-NNWRFLSQSA-N 1 1 406.486 4.175 20 5 HIBDMO COc1ccc(C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)C)cc1 ZINC000554746676 942220190 /nfs/dbraw/zinc/22/01/90/942220190.db2.gz BURXWQGMSLITFI-UHFFFAOYSA-N 1 1 413.474 4.202 20 5 HIBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000554835035 942273658 /nfs/dbraw/zinc/27/36/58/942273658.db2.gz MMWYQCGNYLIHTF-UHFFFAOYSA-N 1 1 403.482 4.299 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000554835035 942273674 /nfs/dbraw/zinc/27/36/74/942273674.db2.gz MMWYQCGNYLIHTF-UHFFFAOYSA-N 1 1 403.482 4.299 20 5 HIBDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000555152682 942407196 /nfs/dbraw/zinc/40/71/96/942407196.db2.gz OPRLDESFFNEETM-MJGOQNOKSA-N 1 1 411.502 4.194 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000555598218 942661569 /nfs/dbraw/zinc/66/15/69/942661569.db2.gz UTTJKHROLIZLSW-UPVQGACJSA-N 1 1 422.529 4.001 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000555598217 942661791 /nfs/dbraw/zinc/66/17/91/942661791.db2.gz UTTJKHROLIZLSW-LADGPHEKSA-N 1 1 422.529 4.001 20 5 HIBDMO C[C@H](c1cccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1)[NH+]1CCOCC1 ZINC000556277588 942831232 /nfs/dbraw/zinc/83/12/32/942831232.db2.gz FTQJWBPWVSJCEG-MRXNPFEDSA-N 1 1 408.458 4.255 20 5 HIBDMO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556867879 942943488 /nfs/dbraw/zinc/94/34/88/942943488.db2.gz BLWKRLXHDOMTCE-FCHUYYIVSA-N 1 1 411.550 4.052 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000557522335 943189256 /nfs/dbraw/zinc/18/92/56/943189256.db2.gz KBRSTBWERJMCBI-CYBMUJFWSA-N 1 1 412.412 4.125 20 5 HIBDMO C[C@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000558562124 943598995 /nfs/dbraw/zinc/59/89/95/943598995.db2.gz HRMPZICLMVAUDS-PKOBYXMFSA-N 1 1 413.493 4.256 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000559248269 943885823 /nfs/dbraw/zinc/88/58/23/943885823.db2.gz QSBNNHVOLGFDLU-IBGZPJMESA-N 1 1 412.383 4.180 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000559248269 943885828 /nfs/dbraw/zinc/88/58/28/943885828.db2.gz QSBNNHVOLGFDLU-IBGZPJMESA-N 1 1 412.383 4.180 20 5 HIBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 ZINC000560173211 944186574 /nfs/dbraw/zinc/18/65/74/944186574.db2.gz AHTXLJAURZESPN-HNNXBMFYSA-N 1 1 406.504 4.026 20 5 HIBDMO COc1cc(C[NH+]2CCC(F)(c3cccnc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000560206357 944196322 /nfs/dbraw/zinc/19/63/22/944196322.db2.gz DUUDGLSHVCHDCJ-UHFFFAOYSA-N 1 1 411.380 4.061 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000560530494 944244468 /nfs/dbraw/zinc/24/44/68/944244468.db2.gz ZFYJBDIVHNBMHB-SFHVURJKSA-N 1 1 404.392 4.269 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000561016142 944397112 /nfs/dbraw/zinc/39/71/12/944397112.db2.gz AXOSKVOFIVDPSI-UHFFFAOYSA-N 1 1 409.408 4.338 20 5 HIBDMO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000561114051 944462031 /nfs/dbraw/zinc/46/20/31/944462031.db2.gz JURVRQKDLQEQCD-UHFFFAOYSA-N 1 1 402.454 4.124 20 5 HIBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000561260024 944531269 /nfs/dbraw/zinc/53/12/69/944531269.db2.gz ZNULVFGXTANVAI-AEFFLSMTSA-N 1 1 409.515 4.090 20 5 HIBDMO C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000561533185 944659572 /nfs/dbraw/zinc/65/95/72/944659572.db2.gz IZJDXZBAEYVNNB-GOSISDBHSA-N 1 1 423.513 4.120 20 5 HIBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000561974572 944883292 /nfs/dbraw/zinc/88/32/92/944883292.db2.gz HEEFZMSHDINLGN-GOSISDBHSA-N 1 1 415.465 4.407 20 5 HIBDMO COc1cc(C[N@@H+](C)C2CCC(CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000561982321 944885869 /nfs/dbraw/zinc/88/58/69/944885869.db2.gz MDWGRVOUJFYHFU-UHFFFAOYSA-N 1 1 414.502 4.165 20 5 HIBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)sc2C1 ZINC000564330146 945518574 /nfs/dbraw/zinc/51/85/74/945518574.db2.gz FXNCISQRQJJHLC-UHFFFAOYSA-N 1 1 414.409 4.089 20 5 HIBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)sc2C1 ZINC000564330146 945518576 /nfs/dbraw/zinc/51/85/76/945518576.db2.gz FXNCISQRQJJHLC-UHFFFAOYSA-N 1 1 414.409 4.089 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567541813 946367664 /nfs/dbraw/zinc/36/76/64/946367664.db2.gz QLXXVYVXHCQLPV-LAUBAEHRSA-N 1 1 424.501 4.102 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567541813 946367680 /nfs/dbraw/zinc/36/76/80/946367680.db2.gz QLXXVYVXHCQLPV-LAUBAEHRSA-N 1 1 424.501 4.102 20 5 HIBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000568523056 946577302 /nfs/dbraw/zinc/57/73/02/946577302.db2.gz PBFDZVPKXKEDIW-QFIPXVFZSA-N 1 1 409.511 4.036 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000568523056 946577314 /nfs/dbraw/zinc/57/73/14/946577314.db2.gz PBFDZVPKXKEDIW-QFIPXVFZSA-N 1 1 409.511 4.036 20 5 HIBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)c2C1 ZINC000569166645 946830283 /nfs/dbraw/zinc/83/02/83/946830283.db2.gz QEIZSFDUCZZCSC-UHFFFAOYSA-N 1 1 403.429 4.416 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000570067565 947083653 /nfs/dbraw/zinc/08/36/53/947083653.db2.gz WWXVLQODKNLVKO-CEWLAPEOSA-N 1 1 410.449 4.067 20 5 HIBDMO Nc1cccc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 ZINC000570237067 947157611 /nfs/dbraw/zinc/15/76/11/947157611.db2.gz VMKKOIKOSCJXPM-UHFFFAOYSA-N 1 1 408.527 4.223 20 5 HIBDMO Nc1cccc(C[NH+]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 ZINC000570237067 947157627 /nfs/dbraw/zinc/15/76/27/947157627.db2.gz VMKKOIKOSCJXPM-UHFFFAOYSA-N 1 1 408.527 4.223 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)s1 ZINC000570718336 947334032 /nfs/dbraw/zinc/33/40/32/947334032.db2.gz WGMQQCATVVVFSG-AWEZNQCLSA-N 1 1 407.923 4.212 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000570719231 947334225 /nfs/dbraw/zinc/33/42/25/947334225.db2.gz OGSPOKXIGYDBFB-MRXNPFEDSA-N 1 1 422.403 4.143 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571587624 947716148 /nfs/dbraw/zinc/71/61/48/947716148.db2.gz WEWVPVOHHUOBBM-NHCUHLMSSA-N 1 1 412.486 4.326 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4noc5cc(F)ccc54)CC3)n2)cc1 ZINC000572804001 948015474 /nfs/dbraw/zinc/01/54/74/948015474.db2.gz LJPIFKPTHPWHGZ-UHFFFAOYSA-N 1 1 423.404 4.305 20 5 HIBDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000573590992 948244899 /nfs/dbraw/zinc/24/48/99/948244899.db2.gz ZOGCAEALKSXVCF-KRWDZBQOSA-N 1 1 408.458 4.108 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000574243672 948396931 /nfs/dbraw/zinc/39/69/31/948396931.db2.gz RZBQDIUNPWWHKJ-OALUTQOASA-N 1 1 422.407 4.358 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000574243672 948396940 /nfs/dbraw/zinc/39/69/40/948396940.db2.gz RZBQDIUNPWWHKJ-OALUTQOASA-N 1 1 422.407 4.358 20 5 HIBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000574326475 948413429 /nfs/dbraw/zinc/41/34/29/948413429.db2.gz NGXVEAMIPNZIFS-YLJYHZDGSA-N 1 1 410.518 4.152 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000574544748 948468081 /nfs/dbraw/zinc/46/80/81/948468081.db2.gz BACVGUIJHJELHM-KNQAVFIVSA-N 1 1 424.545 4.079 20 5 HIBDMO O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164619227 719056078 /nfs/dbraw/zinc/05/60/78/719056078.db2.gz CBNROVCGSUFVBK-QAPCUYQASA-N 1 1 422.863 4.289 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC3)cs1 ZINC001164693472 719803635 /nfs/dbraw/zinc/80/36/35/719803635.db2.gz TVGOCEUXKOOHKG-UHFFFAOYSA-N 1 1 407.927 4.043 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731092 720479537 /nfs/dbraw/zinc/47/95/37/720479537.db2.gz VPVAABMCAAKCTL-UXHICEINSA-N 1 1 419.460 4.044 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436010238 861300097 /nfs/dbraw/zinc/30/00/97/861300097.db2.gz ZHJLFHKVOPVDPV-CALCHBBNSA-N 1 1 423.532 4.308 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007359373 845315808 /nfs/dbraw/zinc/31/58/08/845315808.db2.gz QBKOWVDKTPIBLU-LBPRGKRZSA-N 1 1 404.373 4.439 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007359373 845315815 /nfs/dbraw/zinc/31/58/15/845315815.db2.gz QBKOWVDKTPIBLU-LBPRGKRZSA-N 1 1 404.373 4.439 20 5 HIBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000010928353 845727443 /nfs/dbraw/zinc/72/74/43/845727443.db2.gz FZSPGHLSNNHWCV-UHFFFAOYSA-N 1 1 406.280 4.206 20 5 HIBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000436322884 861626443 /nfs/dbraw/zinc/62/64/43/861626443.db2.gz PFXQBKWXBJCTRP-KRWDZBQOSA-N 1 1 409.408 4.182 20 5 HIBDMO Cc1ccc([C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[NH+]2CCCC2)o1 ZINC000436340752 861652257 /nfs/dbraw/zinc/65/22/57/861652257.db2.gz UZBSDMKGYRFRGY-JOCHJYFZSA-N 1 1 415.493 4.150 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025398230 846973009 /nfs/dbraw/zinc/97/30/09/846973009.db2.gz UNYNKGLYADFIRX-NRFANRHFSA-N 1 1 417.465 4.190 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025398230 846973012 /nfs/dbraw/zinc/97/30/12/846973012.db2.gz UNYNKGLYADFIRX-NRFANRHFSA-N 1 1 417.465 4.190 20 5 HIBDMO CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000025536030 846994325 /nfs/dbraw/zinc/99/43/25/846994325.db2.gz SZCOIJUGTFLJAX-HXUWFJFHSA-N 1 1 401.894 4.061 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000027498356 847313931 /nfs/dbraw/zinc/31/39/31/847313931.db2.gz JDRJPOTXRVORKV-YJBOKZPZSA-N 1 1 403.504 4.012 20 5 HIBDMO CC(C)NC(=O)c1ccc(NC[C@H](c2ccccc2Cl)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000028751904 847455563 /nfs/dbraw/zinc/45/55/63/847455563.db2.gz NJUJUEDAJOLAOJ-LJQANCHMSA-N 1 1 404.898 4.101 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029828901 847627027 /nfs/dbraw/zinc/62/70/27/847627027.db2.gz KEELGYOGQSKVMX-INIZCTEOSA-N 1 1 408.458 4.253 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000041894405 848262480 /nfs/dbraw/zinc/26/24/80/848262480.db2.gz BDENJRJACNJQQH-CYBMUJFWSA-N 1 1 414.487 4.235 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644345 848445781 /nfs/dbraw/zinc/44/57/81/848445781.db2.gz PLELDCOIMNQAHN-UHFFFAOYSA-N 1 1 411.380 4.083 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000045779075 848726758 /nfs/dbraw/zinc/72/67/58/848726758.db2.gz MTJAGRDNOIMJNC-SFHVURJKSA-N 1 1 410.518 4.311 20 5 HIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000054011509 849798533 /nfs/dbraw/zinc/79/85/33/849798533.db2.gz OLAXXHZDRGKZBN-UHFFFAOYSA-N 1 1 407.474 4.404 20 5 HIBDMO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000057450264 850640529 /nfs/dbraw/zinc/64/05/29/850640529.db2.gz KSDOGDOJNXMWSE-UHFFFAOYSA-N 1 1 416.481 4.169 20 5 HIBDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1SC ZINC000060356216 851075554 /nfs/dbraw/zinc/07/55/54/851075554.db2.gz ZTEUJJDFUQRQES-UHFFFAOYSA-N 1 1 403.504 4.094 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437023949 862207435 /nfs/dbraw/zinc/20/74/35/862207435.db2.gz PLXSNZIQKFVCKL-IFXJQAMLSA-N 1 1 421.419 4.254 20 5 HIBDMO CC1CCN(c2ccc(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000063758460 851756255 /nfs/dbraw/zinc/75/62/55/851756255.db2.gz CYVTUKHXYJKKKJ-LJQANCHMSA-N 1 1 416.566 4.073 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)C1 ZINC000071931706 852435413 /nfs/dbraw/zinc/43/54/13/852435413.db2.gz ULXCSYUQHLOGIM-KRWDZBQOSA-N 1 1 419.485 4.265 20 5 HIBDMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000437209114 862398492 /nfs/dbraw/zinc/39/84/92/862398492.db2.gz NWAFUQPMQABUMR-UHFFFAOYSA-N 1 1 413.440 4.342 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437209583 862399056 /nfs/dbraw/zinc/39/90/56/862399056.db2.gz BFWYBYAEFVODSM-UHFFFAOYSA-N 1 1 401.429 4.198 20 5 HIBDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1SC ZINC000116204969 853291058 /nfs/dbraw/zinc/29/10/58/853291058.db2.gz IFFYSYQWSCPJRC-LBPRGKRZSA-N 1 1 423.922 4.438 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1SC ZINC000116204969 853291066 /nfs/dbraw/zinc/29/10/66/853291066.db2.gz IFFYSYQWSCPJRC-LBPRGKRZSA-N 1 1 423.922 4.438 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000116604330 853319860 /nfs/dbraw/zinc/31/98/60/853319860.db2.gz GLUIMKLDPZMVNT-UHFFFAOYSA-N 1 1 408.458 4.061 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000116604330 853319872 /nfs/dbraw/zinc/31/98/72/853319872.db2.gz GLUIMKLDPZMVNT-UHFFFAOYSA-N 1 1 408.458 4.061 20 5 HIBDMO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000437244951 862462142 /nfs/dbraw/zinc/46/21/42/862462142.db2.gz IAJCXLMNPSOSBD-OAHLLOKOSA-N 1 1 421.419 4.350 20 5 HIBDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000150214847 853640179 /nfs/dbraw/zinc/64/01/79/853640179.db2.gz XSIZMDVRRACRJE-FQEVSTJZSA-N 1 1 413.474 4.086 20 5 HIBDMO CCC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000237037498 853954728 /nfs/dbraw/zinc/95/47/28/853954728.db2.gz AYGJMIYSDITEQN-SFHVURJKSA-N 1 1 402.520 4.154 20 5 HIBDMO C[NH+](C)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000237039268 853955801 /nfs/dbraw/zinc/95/58/01/853955801.db2.gz FOBQAIZASDLOJI-LJQANCHMSA-N 1 1 400.479 4.250 20 5 HIBDMO C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[N@@H+]1C1CC1 ZINC000237718300 854083164 /nfs/dbraw/zinc/08/31/64/854083164.db2.gz OSVJLQDEMWFHJC-STQMWFEESA-N 1 1 420.307 4.332 20 5 HIBDMO C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[N@H+]1C1CC1 ZINC000237718300 854083168 /nfs/dbraw/zinc/08/31/68/854083168.db2.gz OSVJLQDEMWFHJC-STQMWFEESA-N 1 1 420.307 4.332 20 5 HIBDMO Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000237803768 854099824 /nfs/dbraw/zinc/09/98/24/854099824.db2.gz UNAQJMDTUATDAG-JOCHJYFZSA-N 1 1 410.495 4.186 20 5 HIBDMO Cc1nn(C)c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000301294380 854350536 /nfs/dbraw/zinc/35/05/36/854350536.db2.gz QVEAQZGRULPKGA-PBHICJAKSA-N 1 1 411.428 4.151 20 5 HIBDMO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000301672420 854441638 /nfs/dbraw/zinc/44/16/38/854441638.db2.gz OXECQSYQIPRMFQ-UHFFFAOYSA-N 1 1 405.296 4.137 20 5 HIBDMO O=[N+]([O-])c1cc(Br)cnc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000301691815 854446451 /nfs/dbraw/zinc/44/64/51/854446451.db2.gz NZJOESJAEISHSO-ALOPSCKCSA-N 1 1 417.307 4.360 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301851393 854476428 /nfs/dbraw/zinc/47/64/28/854476428.db2.gz ANQSUTOPNPZIKK-MEDUHNTESA-N 1 1 411.325 4.309 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000302609454 854592284 /nfs/dbraw/zinc/59/22/84/854592284.db2.gz DTOBOQADIMXNJY-OAHLLOKOSA-N 1 1 403.504 4.116 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000302609451 854592755 /nfs/dbraw/zinc/59/27/55/854592755.db2.gz DTOBOQADIMXNJY-HNNXBMFYSA-N 1 1 403.504 4.116 20 5 HIBDMO C[C@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1)[NH+]1CCOCC1 ZINC000437355963 862638527 /nfs/dbraw/zinc/63/85/27/862638527.db2.gz MUMSVROYUGJIFD-CYBMUJFWSA-N 1 1 423.391 4.259 20 5 HIBDMO C[C@@H]1C[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1Cc1ccccc1 ZINC000303805251 855209764 /nfs/dbraw/zinc/20/97/64/855209764.db2.gz XSACQITYOSLJID-DYESRHJHSA-N 1 1 421.501 4.130 20 5 HIBDMO Cc1c(Br)c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000310590789 855366378 /nfs/dbraw/zinc/36/63/78/855366378.db2.gz BAPYGPRIBOFAQB-HNNXBMFYSA-N 1 1 405.296 4.137 20 5 HIBDMO Cc1c(Br)c(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000310590789 855366382 /nfs/dbraw/zinc/36/63/82/855366382.db2.gz BAPYGPRIBOFAQB-HNNXBMFYSA-N 1 1 405.296 4.137 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1F ZINC000409460786 855490414 /nfs/dbraw/zinc/49/04/14/855490414.db2.gz VYEXJTATPSWPCX-UHFFFAOYSA-N 1 1 410.430 4.373 20 5 HIBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409640236 855576783 /nfs/dbraw/zinc/57/67/83/855576783.db2.gz RPYLSFJJEIJDAT-CYBMUJFWSA-N 1 1 405.296 4.274 20 5 HIBDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000409727251 855622849 /nfs/dbraw/zinc/62/28/49/855622849.db2.gz KIUNFICHULUBQR-UHFFFAOYSA-N 1 1 400.426 4.171 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410365646 855953811 /nfs/dbraw/zinc/95/38/11/855953811.db2.gz FDNBJJBHNUVGRD-INIZCTEOSA-N 1 1 412.490 4.157 20 5 HIBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426095521 856104451 /nfs/dbraw/zinc/10/44/51/856104451.db2.gz FILXVOHXHKKYCH-IBGZPJMESA-N 1 1 411.502 4.024 20 5 HIBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426095522 856104684 /nfs/dbraw/zinc/10/46/84/856104684.db2.gz FILXVOHXHKKYCH-LJQANCHMSA-N 1 1 411.502 4.024 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000428730956 857312496 /nfs/dbraw/zinc/31/24/96/857312496.db2.gz XHWBFCNBGYRYHS-ROUUACIJSA-N 1 1 405.564 4.289 20 5 HIBDMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429250033 857574671 /nfs/dbraw/zinc/57/46/71/857574671.db2.gz DUMDEUHGRMMIMX-UHFFFAOYSA-N 1 1 421.501 4.169 20 5 HIBDMO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000430103493 858032915 /nfs/dbraw/zinc/03/29/15/858032915.db2.gz QBPJUWYWSVLZJQ-MRXNPFEDSA-N 1 1 408.545 4.113 20 5 HIBDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000430103493 858032918 /nfs/dbraw/zinc/03/29/18/858032918.db2.gz QBPJUWYWSVLZJQ-MRXNPFEDSA-N 1 1 408.545 4.113 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)s1 ZINC000430204329 858081125 /nfs/dbraw/zinc/08/11/25/858081125.db2.gz QWEFSSDQQBEVDU-UHFFFAOYSA-N 1 1 420.556 4.114 20 5 HIBDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)c1ccccc1 ZINC000430867914 858347222 /nfs/dbraw/zinc/34/72/22/858347222.db2.gz UIONSVOEFVETJJ-QGZVFWFLSA-N 1 1 422.510 4.203 20 5 HIBDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000430874657 858349841 /nfs/dbraw/zinc/34/98/41/858349841.db2.gz FZRDCWIAMVEVSX-SFHVURJKSA-N 1 1 405.454 4.340 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000431071760 858434585 /nfs/dbraw/zinc/43/45/85/858434585.db2.gz BUXRNXOULCYAIF-HOCLYGCPSA-N 1 1 402.882 4.423 20 5 HIBDMO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000431721687 858763074 /nfs/dbraw/zinc/76/30/74/858763074.db2.gz FEJRUTRTGIYOHN-UHFFFAOYSA-N 1 1 415.921 4.260 20 5 HIBDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000431721687 858763084 /nfs/dbraw/zinc/76/30/84/858763084.db2.gz FEJRUTRTGIYOHN-UHFFFAOYSA-N 1 1 415.921 4.260 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434899928 860544524 /nfs/dbraw/zinc/54/45/24/860544524.db2.gz KWOWFPKZNWSHSG-UHFFFAOYSA-N 1 1 415.877 4.375 20 5 HIBDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000435057423 860619918 /nfs/dbraw/zinc/61/99/18/860619918.db2.gz BSVCDBAPDHTNHO-UHFFFAOYSA-N 1 1 416.481 4.063 20 5 HIBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000435057423 860619924 /nfs/dbraw/zinc/61/99/24/860619924.db2.gz BSVCDBAPDHTNHO-UHFFFAOYSA-N 1 1 416.481 4.063 20 5 HIBDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000435750138 861030697 /nfs/dbraw/zinc/03/06/97/861030697.db2.gz BDDQCSMXZZSVKD-UHFFFAOYSA-N 1 1 410.449 4.094 20 5 HIBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000437782321 863100597 /nfs/dbraw/zinc/10/05/97/863100597.db2.gz GQOMPTLAKBDNKW-UHFFFAOYSA-N 1 1 409.446 4.446 20 5 HIBDMO COC(=O)c1ccc(COc2ccccc2C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000438088284 863491337 /nfs/dbraw/zinc/49/13/37/863491337.db2.gz JFWUYJCMMGYNSZ-UHFFFAOYSA-N 1 1 406.438 4.250 20 5 HIBDMO Cc1ccc(-c2ccc(C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C(C)C)s2)cc1 ZINC000438831100 864325261 /nfs/dbraw/zinc/32/52/61/864325261.db2.gz IVMLGCKKQXDXJO-IBGZPJMESA-N 1 1 414.531 4.100 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439528961 864865481 /nfs/dbraw/zinc/86/54/81/864865481.db2.gz GDDAYFITDBRNJL-FQEVSTJZSA-N 1 1 410.518 4.240 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000440539294 865810121 /nfs/dbraw/zinc/81/01/21/865810121.db2.gz UFPRNFUNOFMNJH-LJQANCHMSA-N 1 1 422.529 4.153 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000440544654 865813410 /nfs/dbraw/zinc/81/34/10/865813410.db2.gz HQUFQYANFPMNHM-GOSISDBHSA-N 1 1 415.921 4.161 20 5 HIBDMO C[C@H](OC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441257030 866330390 /nfs/dbraw/zinc/33/03/90/866330390.db2.gz ANMSANZZOVISGC-YWZLYKJASA-N 1 1 404.894 4.351 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442805169 867681173 /nfs/dbraw/zinc/68/11/73/867681173.db2.gz ZCFXJTIIMVONMD-QGZVFWFLSA-N 1 1 411.527 4.493 20 5 HIBDMO COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071805 867809612 /nfs/dbraw/zinc/80/96/12/867809612.db2.gz QPRREAFBTFDBJW-OXQOHEQNSA-N 1 1 400.475 4.182 20 5 HIBDMO CO[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000443076551 867812995 /nfs/dbraw/zinc/81/29/95/867812995.db2.gz YAWXNHFZUVZTJH-JTSKRJEESA-N 1 1 406.486 4.447 20 5 HIBDMO C[N@@H+](CC1(O)CCCC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443867882 868399357 /nfs/dbraw/zinc/39/93/57/868399357.db2.gz KVKDMLCWMZYIKZ-LJQANCHMSA-N 1 1 417.893 4.165 20 5 HIBDMO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443875024 868406445 /nfs/dbraw/zinc/40/64/45/868406445.db2.gz IJBCPDXJAMVJBV-NBQZKYEYSA-N 1 1 417.893 4.163 20 5 HIBDMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443875024 868406454 /nfs/dbraw/zinc/40/64/54/868406454.db2.gz IJBCPDXJAMVJBV-NBQZKYEYSA-N 1 1 417.893 4.163 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](c4[nH+]ccn4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000443965326 868497661 /nfs/dbraw/zinc/49/76/61/868497661.db2.gz RAONOJDNIGQFGJ-SFHVURJKSA-N 1 1 419.485 4.273 20 5 HIBDMO O=C(c1ccccc1[N+](=O)[O-])N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000443984885 868508841 /nfs/dbraw/zinc/50/88/41/868508841.db2.gz FLGIYSQYWGKGQR-QGZVFWFLSA-N 1 1 421.419 4.121 20 5 HIBDMO C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+](C)Cc1ccccc1 ZINC000444004970 868526922 /nfs/dbraw/zinc/52/69/22/868526922.db2.gz UFRBAKHHEYCMRL-INIZCTEOSA-N 1 1 417.484 4.071 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444177337 868649792 /nfs/dbraw/zinc/64/97/92/868649792.db2.gz UZYJEEGTGNGAMF-AEFFLSMTSA-N 1 1 408.458 4.245 20 5 HIBDMO Cc1cccc2nc(C3CC[NH+]([C@@H]4CCN(c5cccc([N+](=O)[O-])c5)C4=O)CC3)oc21 ZINC000444763201 868990617 /nfs/dbraw/zinc/99/06/17/868990617.db2.gz TWEFHMLLHQMGLD-HXUWFJFHSA-N 1 1 420.469 4.029 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445001585 869156646 /nfs/dbraw/zinc/15/66/46/869156646.db2.gz VLVSVDOGNUDRRP-RTBURBONSA-N 1 1 417.553 4.408 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000445014601 869166631 /nfs/dbraw/zinc/16/66/31/869166631.db2.gz XBMFBIKDRIURIR-UHFFFAOYSA-N 1 1 405.542 4.265 20 5 HIBDMO Cc1ccc([C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[NH+]2CCCC2)o1 ZINC000445192488 869268686 /nfs/dbraw/zinc/26/86/86/869268686.db2.gz RVCPAYMMICCVGG-OAQYLSRUSA-N 1 1 415.493 4.150 20 5 HIBDMO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000447543551 871413035 /nfs/dbraw/zinc/41/30/35/871413035.db2.gz RRFLCBAZLXPWOS-OPAMFIHVSA-N 1 1 412.509 4.214 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CCO)c1ccccc1Br)CCC2 ZINC000447607071 871513131 /nfs/dbraw/zinc/51/31/31/871513131.db2.gz POBVPBGHFFCLPN-RBUKOAKNSA-N 1 1 405.292 4.448 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448364915 872314497 /nfs/dbraw/zinc/31/44/97/872314497.db2.gz HLBSJHLYIJACKZ-GOSISDBHSA-N 1 1 411.502 4.133 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448364915 872314513 /nfs/dbraw/zinc/31/45/13/872314513.db2.gz HLBSJHLYIJACKZ-GOSISDBHSA-N 1 1 411.502 4.133 20 5 HIBDMO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460354825 872976159 /nfs/dbraw/zinc/97/61/59/872976159.db2.gz UPDACLNLMOGGAG-CQSZACIVSA-N 1 1 412.494 4.030 20 5 HIBDMO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460354825 872976179 /nfs/dbraw/zinc/97/61/79/872976179.db2.gz UPDACLNLMOGGAG-CQSZACIVSA-N 1 1 412.494 4.030 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438638 874490580 /nfs/dbraw/zinc/49/05/80/874490580.db2.gz YZBPPYCKGFFJDA-XPWALMASSA-N 1 1 421.541 4.144 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000462501737 875617527 /nfs/dbraw/zinc/61/75/27/875617527.db2.gz MZMQZLFVQXHTMK-FXXYKOEOSA-N 1 1 421.541 4.475 20 5 HIBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000462941378 875964373 /nfs/dbraw/zinc/96/43/73/875964373.db2.gz AGGBDBQABWVVCT-ZDUSSCGKSA-N 1 1 407.312 4.074 20 5 HIBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC000462945375 875966309 /nfs/dbraw/zinc/96/63/09/875966309.db2.gz OTAIJYVHJUCSLI-SFHVURJKSA-N 1 1 410.518 4.324 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463520743 876588368 /nfs/dbraw/zinc/58/83/68/876588368.db2.gz VYRAYHJQPFXXQN-KRWDZBQOSA-N 1 1 421.419 4.398 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000463971259 877097910 /nfs/dbraw/zinc/09/79/10/877097910.db2.gz OCCAPTHEKNWDOO-UHFFFAOYSA-N 1 1 418.444 4.276 20 5 HIBDMO COc1ccc(-c2cnc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)o2)cc1 ZINC000464778141 878020462 /nfs/dbraw/zinc/02/04/62/878020462.db2.gz RCSHGQMVSMQHHQ-UHFFFAOYSA-N 1 1 409.442 4.302 20 5 HIBDMO Cc1ccc(CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]2CCCO2)cc1 ZINC000464777808 878021668 /nfs/dbraw/zinc/02/16/68/878021668.db2.gz PIBKUZFOQUMJRZ-NRFANRHFSA-N 1 1 422.485 4.177 20 5 HIBDMO Cc1ccc(CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]2CCCO2)cc1 ZINC000464777808 878021683 /nfs/dbraw/zinc/02/16/83/878021683.db2.gz PIBKUZFOQUMJRZ-NRFANRHFSA-N 1 1 422.485 4.177 20 5 HIBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779240 878023749 /nfs/dbraw/zinc/02/37/49/878023749.db2.gz UIOROIHXWWPLNW-GDBMZVCRSA-N 1 1 420.560 4.263 20 5 HIBDMO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000464854599 878134335 /nfs/dbraw/zinc/13/43/35/878134335.db2.gz VTRGASHOKXOHMT-CYBMUJFWSA-N 1 1 408.549 4.120 20 5 HIBDMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000464854599 878134341 /nfs/dbraw/zinc/13/43/41/878134341.db2.gz VTRGASHOKXOHMT-CYBMUJFWSA-N 1 1 408.549 4.120 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000465184722 878575446 /nfs/dbraw/zinc/57/54/46/878575446.db2.gz KVIPZFUKEUFTJV-KRWDZBQOSA-N 1 1 411.502 4.232 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)C1 ZINC000465191606 878587629 /nfs/dbraw/zinc/58/76/29/878587629.db2.gz MCFYGQISQIKRIE-HNNXBMFYSA-N 1 1 409.442 4.314 20 5 HIBDMO CSc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1[N+](=O)[O-] ZINC000467018028 880820387 /nfs/dbraw/zinc/82/03/87/880820387.db2.gz CIFPBQHOBJNDPX-UHFFFAOYSA-N 1 1 424.320 4.393 20 5 HIBDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000467191378 880918640 /nfs/dbraw/zinc/91/86/40/880918640.db2.gz MFUQSNFVGVDNMX-UHFFFAOYSA-N 1 1 421.501 4.166 20 5 HIBDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469304813 883403214 /nfs/dbraw/zinc/40/32/14/883403214.db2.gz ZXJACRHJMMKOLC-NWDGAFQWSA-N 1 1 422.279 4.044 20 5 HIBDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469355483 883477698 /nfs/dbraw/zinc/47/76/98/883477698.db2.gz ZAJQFPGWXXJTSC-VXGBXAGGSA-N 1 1 422.279 4.044 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000470136360 884400536 /nfs/dbraw/zinc/40/05/36/884400536.db2.gz GHVYQNYZHKSVNH-DNVCBOLYSA-N 1 1 400.454 4.251 20 5 HIBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154205 884425688 /nfs/dbraw/zinc/42/56/88/884425688.db2.gz ZNGWBGUQRLUGEI-AVYPCKFXSA-N 1 1 415.877 4.126 20 5 HIBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154205 884425696 /nfs/dbraw/zinc/42/56/96/884425696.db2.gz ZNGWBGUQRLUGEI-AVYPCKFXSA-N 1 1 415.877 4.126 20 5 HIBDMO CCN1CCC[C@@H](C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216737 884543638 /nfs/dbraw/zinc/54/36/38/884543638.db2.gz BPTZZYSNNMUQRD-ZBVVHHPNSA-N 1 1 411.550 4.137 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000470336927 884722061 /nfs/dbraw/zinc/72/20/61/884722061.db2.gz WFWQRAYTXGUODL-HXUWFJFHSA-N 1 1 404.850 4.032 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000470336927 884722065 /nfs/dbraw/zinc/72/20/65/884722065.db2.gz WFWQRAYTXGUODL-HXUWFJFHSA-N 1 1 404.850 4.032 20 5 HIBDMO C[C@H](CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000471456115 886132037 /nfs/dbraw/zinc/13/20/37/886132037.db2.gz XIMWHGFRFFZXQZ-SJORKVTESA-N 1 1 401.532 4.102 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472290443 887110245 /nfs/dbraw/zinc/11/02/45/887110245.db2.gz BXXUBBFEPIMSRR-NRFANRHFSA-N 1 1 410.518 4.037 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@]2(c3ccccc3)CCCCC2=O)cccc1[N+](=O)[O-] ZINC000472636521 887501138 /nfs/dbraw/zinc/50/11/38/887501138.db2.gz PSGZMMDRHAIPFM-QHCPKHFHSA-N 1 1 409.486 4.202 20 5 HIBDMO CC(C)(C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000473506108 888233536 /nfs/dbraw/zinc/23/35/36/888233536.db2.gz KDLBMJAXZSLLBU-VWLOTQADSA-N 1 1 421.541 4.387 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279406 890174050 /nfs/dbraw/zinc/17/40/50/890174050.db2.gz NPEBWALJBSVKGI-GXSJLCMTSA-N 1 1 416.318 4.317 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279406 890174061 /nfs/dbraw/zinc/17/40/61/890174061.db2.gz NPEBWALJBSVKGI-GXSJLCMTSA-N 1 1 416.318 4.317 20 5 HIBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475374722 890303606 /nfs/dbraw/zinc/30/36/06/890303606.db2.gz QSYXIEFVBDYXSI-RDTXWAMCSA-N 1 1 402.422 4.157 20 5 HIBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475374722 890303623 /nfs/dbraw/zinc/30/36/23/890303623.db2.gz QSYXIEFVBDYXSI-RDTXWAMCSA-N 1 1 402.422 4.157 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000477158408 892080833 /nfs/dbraw/zinc/08/08/33/892080833.db2.gz DFEPAGANKIXDND-HSZRJFAPSA-N 1 1 408.502 4.342 20 5 HIBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000478006084 893110930 /nfs/dbraw/zinc/11/09/30/893110930.db2.gz XYUTXZIEPYBHAK-CQSZACIVSA-N 1 1 411.325 4.113 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000478359653 893612289 /nfs/dbraw/zinc/61/22/89/893612289.db2.gz KQVUSRCJMIAOKH-INIZCTEOSA-N 1 1 405.564 4.433 20 5 HIBDMO Cc1c(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000478788061 894063751 /nfs/dbraw/zinc/06/37/51/894063751.db2.gz QSIYRQFIEQOVJE-KRWDZBQOSA-N 1 1 410.518 4.277 20 5 HIBDMO CCOc1ccc([C@@H](C)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000479477064 894800375 /nfs/dbraw/zinc/80/03/75/894800375.db2.gz RJGZTBCOFVRSBI-NVPAJSRCSA-N 1 1 415.456 4.449 20 5 HIBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc(Br)ccc2Br)c1 ZINC000479615703 894886419 /nfs/dbraw/zinc/88/64/19/894886419.db2.gz RXSQDMPATQJCSH-UHFFFAOYSA-N 1 1 400.070 4.410 20 5 HIBDMO Cc1c(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000480060625 895408279 /nfs/dbraw/zinc/40/82/79/895408279.db2.gz ARQOETIWVXMGEA-XMMPIXPASA-N 1 1 422.529 4.101 20 5 HIBDMO Cc1c(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)cccc1[N+](=O)[O-] ZINC000480498172 895868540 /nfs/dbraw/zinc/86/85/40/895868540.db2.gz LQYRHKDDUIGRKR-UHFFFAOYSA-N 1 1 401.264 4.346 20 5 HIBDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481175116 896508930 /nfs/dbraw/zinc/50/89/30/896508930.db2.gz LWLICZOTMVNXMR-GCJKJVERSA-N 1 1 420.513 4.293 20 5 HIBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481283346 896630127 /nfs/dbraw/zinc/63/01/27/896630127.db2.gz LTWJIJCPSCKKJY-MSOLQXFVSA-N 1 1 415.877 4.397 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000482661627 898265205 /nfs/dbraw/zinc/26/52/05/898265205.db2.gz IXWDANRZSATRRZ-CYBMUJFWSA-N 1 1 406.483 4.220 20 5 HIBDMO Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482793290 898400786 /nfs/dbraw/zinc/40/07/86/898400786.db2.gz RIDUBTYREWYOIY-CTNGQTDRSA-N 1 1 408.502 4.422 20 5 HIBDMO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000483426074 899055392 /nfs/dbraw/zinc/05/53/92/899055392.db2.gz LGBPMZVABKYBRB-SFHVURJKSA-N 1 1 400.529 4.347 20 5 HIBDMO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000483426074 899055401 /nfs/dbraw/zinc/05/54/01/899055401.db2.gz LGBPMZVABKYBRB-SFHVURJKSA-N 1 1 400.529 4.347 20 5 HIBDMO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)no1 ZINC000483429460 899059165 /nfs/dbraw/zinc/05/91/65/899059165.db2.gz RAZRCLZPMUMNKM-UHFFFAOYSA-N 1 1 424.457 4.042 20 5 HIBDMO Cn1cc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505614075 914317778 /nfs/dbraw/zinc/31/77/78/914317778.db2.gz VQCCFDOPBOZFAC-UHFFFAOYSA-N 1 1 402.401 4.229 20 5 HIBDMO CCn1c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nc2cc(Br)ccc21 ZINC000483493727 899150162 /nfs/dbraw/zinc/15/01/62/899150162.db2.gz YAKZSPBKOYRUEX-UHFFFAOYSA-N 1 1 403.280 4.325 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000484902404 900282230 /nfs/dbraw/zinc/28/22/30/900282230.db2.gz XUOWBUYIJXIFIR-IBGZPJMESA-N 1 1 411.502 4.026 20 5 HIBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000484916436 900293535 /nfs/dbraw/zinc/29/35/35/900293535.db2.gz DRMSXPODTPMHHO-SFHVURJKSA-N 1 1 415.921 4.209 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000484950593 900318023 /nfs/dbraw/zinc/31/80/23/900318023.db2.gz XKNBGLQNCLKQOS-SFTDATJTSA-N 1 1 407.514 4.114 20 5 HIBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484969728 900329444 /nfs/dbraw/zinc/32/94/44/900329444.db2.gz NHRZWZJUMLSVHZ-DLBZAZTESA-N 1 1 415.877 4.397 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000485009501 900359755 /nfs/dbraw/zinc/35/97/55/900359755.db2.gz QUMZXGIFDGFXNT-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(F)cc1Br ZINC000485009501 900359758 /nfs/dbraw/zinc/35/97/58/900359758.db2.gz QUMZXGIFDGFXNT-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485162935 900461964 /nfs/dbraw/zinc/46/19/64/900461964.db2.gz SRJHNLGMBCCQMB-ICSRJNTNSA-N 1 1 422.529 4.153 20 5 HIBDMO C[N@@H+](CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1)C1CC1 ZINC000485474509 900768458 /nfs/dbraw/zinc/76/84/58/900768458.db2.gz LVBBHXRPIALGLS-UHFFFAOYSA-N 1 1 405.401 4.085 20 5 HIBDMO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000485881672 901117755 /nfs/dbraw/zinc/11/77/55/901117755.db2.gz GHPLNCHEGDUZGH-WBVHZDCISA-N 1 1 417.456 4.100 20 5 HIBDMO Cc1[nH+]ccn1C[C@H]1CCCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000485983633 901202024 /nfs/dbraw/zinc/20/20/24/901202024.db2.gz RLKBLNKQHSMJSH-CQSZACIVSA-N 1 1 416.279 4.079 20 5 HIBDMO CSc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225368 901408769 /nfs/dbraw/zinc/40/87/69/901408769.db2.gz MNQNYHKSPTZLHO-GUYCJALGSA-N 1 1 405.545 4.191 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000505900726 914542241 /nfs/dbraw/zinc/54/22/41/914542241.db2.gz IAVDFXRRVXXHBU-CQSZACIVSA-N 1 1 408.401 4.106 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000505900726 914542248 /nfs/dbraw/zinc/54/22/48/914542248.db2.gz IAVDFXRRVXXHBU-CQSZACIVSA-N 1 1 408.401 4.106 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c(F)c1 ZINC000486473079 901632555 /nfs/dbraw/zinc/63/25/55/901632555.db2.gz VAPYCRLWQJNLKK-VGOFRKELSA-N 1 1 408.433 4.338 20 5 HIBDMO CSc1cccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000486485956 901642813 /nfs/dbraw/zinc/64/28/13/901642813.db2.gz KYKUQTXAAHLMMV-MRXNPFEDSA-N 1 1 413.543 4.479 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000505925244 914573098 /nfs/dbraw/zinc/57/30/98/914573098.db2.gz QFYSKWZTFOUJAR-BZSNNMDCSA-N 1 1 405.564 4.188 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000487477789 902222205 /nfs/dbraw/zinc/22/22/05/902222205.db2.gz UUOKEHFNZHPSIP-HNNXBMFYSA-N 1 1 415.515 4.352 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488458395 902835003 /nfs/dbraw/zinc/83/50/03/902835003.db2.gz BZGDFZYJNMVWMY-BEFAXECRSA-N 1 1 409.511 4.450 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506021464 914698539 /nfs/dbraw/zinc/69/85/39/914698539.db2.gz JPXKKILJJOVQLX-HNNXBMFYSA-N 1 1 413.396 4.220 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506021464 914698574 /nfs/dbraw/zinc/69/85/74/914698574.db2.gz JPXKKILJJOVQLX-HNNXBMFYSA-N 1 1 413.396 4.220 20 5 HIBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000489966156 903701701 /nfs/dbraw/zinc/70/17/01/903701701.db2.gz OKJIHWBZUASOIM-UHFFFAOYSA-N 1 1 411.502 4.120 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1[N+](=O)[O-] ZINC000489976000 903707748 /nfs/dbraw/zinc/70/77/48/903707748.db2.gz FCAKPBYDIRNJTE-MRXNPFEDSA-N 1 1 412.421 4.172 20 5 HIBDMO CO[C@@H](C)c1nc(CN2CCC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013327 903724925 /nfs/dbraw/zinc/72/49/25/903724925.db2.gz LTKBDVDEQJISOQ-SJORKVTESA-N 1 1 418.563 4.336 20 5 HIBDMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300196 903887475 /nfs/dbraw/zinc/88/74/75/903887475.db2.gz OSABACJQTWTCNY-DENIHFKCSA-N 1 1 417.456 4.064 20 5 HIBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300196 903887484 /nfs/dbraw/zinc/88/74/84/903887484.db2.gz OSABACJQTWTCNY-DENIHFKCSA-N 1 1 417.456 4.064 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000491045217 904393807 /nfs/dbraw/zinc/39/38/07/904393807.db2.gz BAOPJOSZDDTPLC-QGZVFWFLSA-N 1 1 401.894 4.232 20 5 HIBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000506147097 914824372 /nfs/dbraw/zinc/82/43/72/914824372.db2.gz HFDSPYXPSPGVOC-CQSZACIVSA-N 1 1 405.380 4.036 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493312355 905084943 /nfs/dbraw/zinc/08/49/43/905084943.db2.gz XMVXBKOGRPLMST-HXUWFJFHSA-N 1 1 424.545 4.314 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)co2)cc1 ZINC000493961605 905310888 /nfs/dbraw/zinc/31/08/88/905310888.db2.gz QOJKWMUZMXBLGU-MOPGFXCFSA-N 1 1 401.369 4.148 20 5 HIBDMO C[C@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000494070120 905408503 /nfs/dbraw/zinc/40/85/03/905408503.db2.gz VBPJHBIAJVOUHC-GUYCJALGSA-N 1 1 407.392 4.006 20 5 HIBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000494127684 905470836 /nfs/dbraw/zinc/47/08/36/905470836.db2.gz NSTPTLIJDANTFJ-ICSRJNTNSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000494127684 905470844 /nfs/dbraw/zinc/47/08/44/905470844.db2.gz NSTPTLIJDANTFJ-ICSRJNTNSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000494127688 905471313 /nfs/dbraw/zinc/47/13/13/905471313.db2.gz NSTPTLIJDANTFJ-UYAOXDASSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000494127688 905471320 /nfs/dbraw/zinc/47/13/20/905471320.db2.gz NSTPTLIJDANTFJ-UYAOXDASSA-N 1 1 403.429 4.135 20 5 HIBDMO C[C@@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000494182112 905517328 /nfs/dbraw/zinc/51/73/28/905517328.db2.gz HOSUYMAAIOJXDM-FQEVSTJZSA-N 1 1 421.419 4.398 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427041 921154779 /nfs/dbraw/zinc/15/47/79/921154779.db2.gz KDVNNYPEWTTXQW-CTEOGUNLSA-N 1 1 412.465 4.281 20 5 HIBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000494413529 905701650 /nfs/dbraw/zinc/70/16/50/905701650.db2.gz TUWIYDLGZNVKSJ-ZJUUUORDSA-N 1 1 402.398 4.138 20 5 HIBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512458324 921174261 /nfs/dbraw/zinc/17/42/61/921174261.db2.gz ZIIRWJFTMGMBPK-HXUWFJFHSA-N 1 1 424.545 4.347 20 5 HIBDMO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494509899 905800795 /nfs/dbraw/zinc/80/07/95/905800795.db2.gz KYOXYFIBXQKLSL-GFCCVEGCSA-N 1 1 412.364 4.016 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000495357189 906398489 /nfs/dbraw/zinc/39/84/89/906398489.db2.gz FZOZHCBINQDGGZ-GOSISDBHSA-N 1 1 410.392 4.018 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000496228168 906634048 /nfs/dbraw/zinc/63/40/48/906634048.db2.gz XINDGWYIMAUMNL-FQEVSTJZSA-N 1 1 424.545 4.414 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497093084 906803409 /nfs/dbraw/zinc/80/34/09/906803409.db2.gz ALUUMPVMWKUAQE-TZIWHRDSSA-N 1 1 414.502 4.165 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497093078 906803809 /nfs/dbraw/zinc/80/38/09/906803809.db2.gz ALUUMPVMWKUAQE-FPOVZHCZSA-N 1 1 414.502 4.165 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)NCc2ccccc2C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000497275848 906827955 /nfs/dbraw/zinc/82/79/55/906827955.db2.gz LQFRZNMFEKSQES-IBGZPJMESA-N 1 1 424.545 4.396 20 5 HIBDMO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000497319132 906832471 /nfs/dbraw/zinc/83/24/71/906832471.db2.gz DVUVKKMDYZVNKT-GOSISDBHSA-N 1 1 410.518 4.088 20 5 HIBDMO C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000497319133 906832894 /nfs/dbraw/zinc/83/28/94/906832894.db2.gz DVUVKKMDYZVNKT-SFHVURJKSA-N 1 1 410.518 4.088 20 5 HIBDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)s1 ZINC000512686845 921287227 /nfs/dbraw/zinc/28/72/27/921287227.db2.gz JZTPIMBCNWMICA-UHFFFAOYSA-N 1 1 401.532 4.483 20 5 HIBDMO CNC(=O)c1ccc(NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000512708428 921293311 /nfs/dbraw/zinc/29/33/11/921293311.db2.gz SRUPDMVKTBRUHV-CALCHBBNSA-N 1 1 410.518 4.044 20 5 HIBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000512728502 921298076 /nfs/dbraw/zinc/29/80/76/921298076.db2.gz FAUDSRSARCHRTI-QGZVFWFLSA-N 1 1 422.407 4.318 20 5 HIBDMO CCOC1CC2(C1)CC[N@@H+]([C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C2 ZINC000512839979 921343038 /nfs/dbraw/zinc/34/30/38/921343038.db2.gz LPFASAHZRMTXTL-HWDGFJGFSA-N 1 1 423.513 4.474 20 5 HIBDMO CCOC1CC2(C1)CC[N@H+]([C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C2 ZINC000512839979 921343043 /nfs/dbraw/zinc/34/30/43/921343043.db2.gz LPFASAHZRMTXTL-HWDGFJGFSA-N 1 1 423.513 4.474 20 5 HIBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498383292 907871548 /nfs/dbraw/zinc/87/15/48/907871548.db2.gz PFMYHCOCGUAJIV-GDBMZVCRSA-N 1 1 421.419 4.254 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000498561101 908021864 /nfs/dbraw/zinc/02/18/64/908021864.db2.gz QHRRPEZOPZWCDP-PZJWPPBQSA-N 1 1 410.474 4.011 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501013232 910233603 /nfs/dbraw/zinc/23/36/03/910233603.db2.gz YMCLUYUMMBAMJA-CQSZACIVSA-N 1 1 412.421 4.083 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513117238 921562945 /nfs/dbraw/zinc/56/29/45/921562945.db2.gz QVLUNLDBXOIZQF-NRFANRHFSA-N 1 1 422.485 4.216 20 5 HIBDMO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000501607168 910710810 /nfs/dbraw/zinc/71/08/10/910710810.db2.gz ZNZPXDLNMVLIQB-HXUWFJFHSA-N 1 1 421.419 4.398 20 5 HIBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502171774 911094909 /nfs/dbraw/zinc/09/49/09/911094909.db2.gz NUXJXNMMBAUDLV-UHFFFAOYSA-N 1 1 413.477 4.052 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513227855 921641745 /nfs/dbraw/zinc/64/17/45/921641745.db2.gz RWLHHCSPYMJCSZ-IBGZPJMESA-N 1 1 422.510 4.113 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000506820782 915582021 /nfs/dbraw/zinc/58/20/21/915582021.db2.gz DKJFEGBVISOVDW-UHFFFAOYSA-N 1 1 410.518 4.283 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000507246362 916007394 /nfs/dbraw/zinc/00/73/94/916007394.db2.gz ILBSNCQDNZIPRL-WDEREUQCSA-N 1 1 410.243 4.174 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000507305305 916067441 /nfs/dbraw/zinc/06/74/41/916067441.db2.gz UPVPZZXXPZJXJT-HNAYVOBHSA-N 1 1 403.548 4.186 20 5 HIBDMO COc1cc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OC ZINC000507682436 916452327 /nfs/dbraw/zinc/45/23/27/916452327.db2.gz HVXMWOGKJSUILY-UHFFFAOYSA-N 1 1 406.866 4.309 20 5 HIBDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000507700140 916482757 /nfs/dbraw/zinc/48/27/57/916482757.db2.gz WJMCTRWVRSBYRV-AWEZNQCLSA-N 1 1 403.504 4.093 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000507700140 916482774 /nfs/dbraw/zinc/48/27/74/916482774.db2.gz WJMCTRWVRSBYRV-AWEZNQCLSA-N 1 1 403.504 4.093 20 5 HIBDMO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570290 917343509 /nfs/dbraw/zinc/34/35/09/917343509.db2.gz PDEVIYCQJJSYRV-YWZLYKJASA-N 1 1 421.419 4.227 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000509375751 918040932 /nfs/dbraw/zinc/04/09/32/918040932.db2.gz YQMOQBWZTMZONJ-LJQANCHMSA-N 1 1 400.454 4.156 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509601179 918252109 /nfs/dbraw/zinc/25/21/09/918252109.db2.gz KZOAXJLNVQQXDR-UHFFFAOYSA-N 1 1 422.437 4.201 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000509826306 918428039 /nfs/dbraw/zinc/42/80/39/918428039.db2.gz KFALDSFINCURLQ-OAQYLSRUSA-N 1 1 410.518 4.179 20 5 HIBDMO COc1cc(C[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000509923979 918524030 /nfs/dbraw/zinc/52/40/30/918524030.db2.gz BLRHCBWMMRIMRD-UHFFFAOYSA-N 1 1 400.475 4.272 20 5 HIBDMO CCOc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510112906 918674954 /nfs/dbraw/zinc/67/49/54/918674954.db2.gz MQZSIPOOWBVOJJ-PKOBYXMFSA-N 1 1 411.502 4.024 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510149656 918705505 /nfs/dbraw/zinc/70/55/05/918705505.db2.gz SSXFOEZEZYHDEK-NVXWUHKLSA-N 1 1 401.894 4.279 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000510239411 918777094 /nfs/dbraw/zinc/77/70/94/918777094.db2.gz BOTIXIDBRLOGQB-WMZOPIPTSA-N 1 1 406.486 4.107 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000510862510 919352781 /nfs/dbraw/zinc/35/27/81/919352781.db2.gz AKWATFZJGABVOR-OKILXGFUSA-N 1 1 414.453 4.076 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000510917972 919430173 /nfs/dbraw/zinc/43/01/73/919430173.db2.gz XJGDZLDGAJKFEU-IBGZPJMESA-N 1 1 424.545 4.211 20 5 HIBDMO Cc1ccc([C@@H](NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000511120072 919730788 /nfs/dbraw/zinc/73/07/88/919730788.db2.gz HAQIVDYYRZDHDB-HSZRJFAPSA-N 1 1 423.538 4.345 20 5 HIBDMO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000511120072 919730796 /nfs/dbraw/zinc/73/07/96/919730796.db2.gz HAQIVDYYRZDHDB-HSZRJFAPSA-N 1 1 423.538 4.345 20 5 HIBDMO C[C@@H]1C[C@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@H+]1Cc1ccccc1 ZINC000511642881 920306954 /nfs/dbraw/zinc/30/69/54/920306954.db2.gz KNESGAHHTBJAHX-AEFFLSMTSA-N 1 1 408.502 4.192 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000511766499 920451745 /nfs/dbraw/zinc/45/17/45/920451745.db2.gz CJQGJTXTOPRFTI-FQEVSTJZSA-N 1 1 413.543 4.104 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000511809595 920506926 /nfs/dbraw/zinc/50/69/26/920506926.db2.gz USXZJDBUALLBTJ-XZOQPEGZSA-N 1 1 415.493 4.301 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511880492 920612319 /nfs/dbraw/zinc/61/23/19/920612319.db2.gz VRGADFSOMUDEGX-QKNQBKEWSA-N 1 1 409.486 4.200 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178782 920918528 /nfs/dbraw/zinc/91/85/28/920918528.db2.gz KIZPLCBUZXVFIF-MOPGFXCFSA-N 1 1 411.550 4.082 20 5 HIBDMO COCC1CC[NH+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000513447779 921813626 /nfs/dbraw/zinc/81/36/26/921813626.db2.gz PHLRIMSFUYDSTQ-UHFFFAOYSA-N 1 1 400.475 4.041 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000513914674 922236880 /nfs/dbraw/zinc/23/68/80/922236880.db2.gz IJDLOXUOYJYKJA-JOCHJYFZSA-N 1 1 424.545 4.204 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000513914756 922237370 /nfs/dbraw/zinc/23/73/70/922237370.db2.gz JIBDTBXLMOTQSN-LJQANCHMSA-N 1 1 401.894 4.279 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000514817514 922812506 /nfs/dbraw/zinc/81/25/06/922812506.db2.gz HTRAONNQFRDIBY-LJQANCHMSA-N 1 1 420.460 4.078 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000515565462 923183063 /nfs/dbraw/zinc/18/30/63/923183063.db2.gz LKLJGNLSPYTLRL-JOCHJYFZSA-N 1 1 423.513 4.476 20 5 HIBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000518125068 927034011 /nfs/dbraw/zinc/03/40/11/927034011.db2.gz GFMMKILPNXWVDK-CQSZACIVSA-N 1 1 403.866 4.112 20 5 HIBDMO COc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000518808042 927505098 /nfs/dbraw/zinc/50/50/98/927505098.db2.gz XLGBOWNXENTZRU-GOSISDBHSA-N 1 1 417.893 4.041 20 5 HIBDMO COc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000518808042 927505101 /nfs/dbraw/zinc/50/51/01/927505101.db2.gz XLGBOWNXENTZRU-GOSISDBHSA-N 1 1 417.893 4.041 20 5 HIBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000520223457 928398750 /nfs/dbraw/zinc/39/87/50/928398750.db2.gz DZSIDIRHTZLFLF-UHFFFAOYSA-N 1 1 419.456 4.281 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000520564586 928643096 /nfs/dbraw/zinc/64/30/96/928643096.db2.gz BKCDZIYSTISKOG-KRWDZBQOSA-N 1 1 413.522 4.080 20 5 HIBDMO COc1cc(C[NH2+]Cc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520951917 928886635 /nfs/dbraw/zinc/88/66/35/928886635.db2.gz VXHZJGYDYDQBLU-UHFFFAOYSA-N 1 1 406.307 4.113 20 5 HIBDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520964858 928893198 /nfs/dbraw/zinc/89/31/98/928893198.db2.gz APWWUBVILAJKKQ-ZDUSSCGKSA-N 1 1 410.312 4.437 20 5 HIBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000521142444 929020390 /nfs/dbraw/zinc/02/03/90/929020390.db2.gz QIYDWLOKIIZIAY-QZTJIDSGSA-N 1 1 416.566 4.024 20 5 HIBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000524774662 929825232 /nfs/dbraw/zinc/82/52/32/929825232.db2.gz UZMDWGOZGIQSCD-AWEZNQCLSA-N 1 1 403.866 4.112 20 5 HIBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000525638233 930377127 /nfs/dbraw/zinc/37/71/27/930377127.db2.gz YSVHIORDVGUNOO-ZWKOTPCHSA-N 1 1 400.479 4.205 20 5 HIBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000525638233 930377134 /nfs/dbraw/zinc/37/71/34/930377134.db2.gz YSVHIORDVGUNOO-ZWKOTPCHSA-N 1 1 400.479 4.205 20 5 HIBDMO Cc1nc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cs1 ZINC000525788336 930444546 /nfs/dbraw/zinc/44/45/46/930444546.db2.gz NKZXUEDURNVWAC-UHFFFAOYSA-N 1 1 414.556 4.406 20 5 HIBDMO Cc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(N2CCOCC2)c1 ZINC000531487106 931075129 /nfs/dbraw/zinc/07/51/29/931075129.db2.gz TYMRWPCNYJMDBY-UHFFFAOYSA-N 1 1 424.526 4.153 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccc(Br)c1 ZINC000532493337 931460078 /nfs/dbraw/zinc/46/00/78/931460078.db2.gz OWYKLFGQPFRPGD-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000533249099 931818554 /nfs/dbraw/zinc/81/85/54/931818554.db2.gz LFFLWKOOXHUTBY-LBPRGKRZSA-N 1 1 411.380 4.254 20 5 HIBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000533249099 931818557 /nfs/dbraw/zinc/81/85/57/931818557.db2.gz LFFLWKOOXHUTBY-LBPRGKRZSA-N 1 1 411.380 4.254 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC=C(c4c[nH]c5ncccc45)CC3)o2)c1 ZINC000533344233 931843820 /nfs/dbraw/zinc/84/38/20/931843820.db2.gz WKPIIBMIPUYWAH-UHFFFAOYSA-N 1 1 415.453 4.458 20 5 HIBDMO COc1cc(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])cc1OC(F)F ZINC000533385975 931854787 /nfs/dbraw/zinc/85/47/87/931854787.db2.gz DSEPZTIAQRVLIG-ZDUSSCGKSA-N 1 1 413.446 4.479 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])cc1OC(F)F ZINC000533385975 931854788 /nfs/dbraw/zinc/85/47/88/931854788.db2.gz DSEPZTIAQRVLIG-ZDUSSCGKSA-N 1 1 413.446 4.479 20 5 HIBDMO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1c(C)cccc1C ZINC000533389245 931855688 /nfs/dbraw/zinc/85/56/88/931855688.db2.gz IRVKIGIAUWKAIL-UHFFFAOYSA-N 1 1 422.485 4.370 20 5 HIBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1c(C)cccc1C ZINC000533389245 931855694 /nfs/dbraw/zinc/85/56/94/931855694.db2.gz IRVKIGIAUWKAIL-UHFFFAOYSA-N 1 1 422.485 4.370 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000533917934 932097757 /nfs/dbraw/zinc/09/77/57/932097757.db2.gz MLJITYMINWBMPT-KRWDZBQOSA-N 1 1 420.513 4.167 20 5 HIBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000534167473 932312406 /nfs/dbraw/zinc/31/24/06/932312406.db2.gz RYCVLBCZQMOFNU-CQSZACIVSA-N 1 1 405.882 4.006 20 5 HIBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)nc2c1 ZINC000534219002 932338794 /nfs/dbraw/zinc/33/87/94/932338794.db2.gz CKZZVNHEEZUZCD-KRWDZBQOSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000534219002 932338800 /nfs/dbraw/zinc/33/88/00/932338800.db2.gz CKZZVNHEEZUZCD-KRWDZBQOSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000534219002 932338808 /nfs/dbraw/zinc/33/88/08/932338808.db2.gz CKZZVNHEEZUZCD-KRWDZBQOSA-N 1 1 421.501 4.296 20 5 HIBDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000534347310 932388897 /nfs/dbraw/zinc/38/88/97/932388897.db2.gz SJRMVSKGEZBKFG-UHFFFAOYSA-N 1 1 417.893 4.485 20 5 HIBDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000535209502 933016180 /nfs/dbraw/zinc/01/61/80/933016180.db2.gz BIIIJZUGOUHNNH-CQSZACIVSA-N 1 1 418.519 4.474 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535682582 933335540 /nfs/dbraw/zinc/33/55/40/933335540.db2.gz VTQKRQKLIKRKCQ-LIRRHRJNSA-N 1 1 405.857 4.119 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535800195 933395610 /nfs/dbraw/zinc/39/56/10/933395610.db2.gz VHCKWCQPXGZDKE-CTNGQTDRSA-N 1 1 412.486 4.183 20 5 HIBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537375463 933743510 /nfs/dbraw/zinc/74/35/10/933743510.db2.gz SKYQHBUPEMJGMK-MSOLQXFVSA-N 1 1 421.419 4.481 20 5 HIBDMO C[NH+](C)CCOC1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000537629588 938340469 /nfs/dbraw/zinc/34/04/69/938340469.db2.gz PQSNJFGAZXVKHT-UHFFFAOYSA-N 1 1 417.481 4.069 20 5 HIBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000537631462 938341551 /nfs/dbraw/zinc/34/15/51/938341551.db2.gz MXCALUMZEUDQHW-PXNSSMCTSA-N 1 1 413.518 4.097 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000537642716 938344359 /nfs/dbraw/zinc/34/43/59/938344359.db2.gz UZMLSJNBWNKHGV-UHFFFAOYSA-N 1 1 407.514 4.183 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)o2)c(Br)c1 ZINC000537647456 938345512 /nfs/dbraw/zinc/34/55/12/938345512.db2.gz QJCRFJCVTYNCQL-ZIAGYGMSSA-N 1 1 421.291 4.476 20 5 HIBDMO Cn1cc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537658956 938348387 /nfs/dbraw/zinc/34/83/87/938348387.db2.gz HYDJKIKSKCNPGQ-HSZRJFAPSA-N 1 1 420.513 4.219 20 5 HIBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000537691832 938355990 /nfs/dbraw/zinc/35/59/90/938355990.db2.gz DBMKJRDNDIOCSQ-IBGZPJMESA-N 1 1 413.543 4.355 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000537937965 938423688 /nfs/dbraw/zinc/42/36/88/938423688.db2.gz HCBORWFYJMECHY-ONGXBYRLSA-N 1 1 403.910 4.279 20 5 HIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)nc2c1 ZINC000538148514 938520963 /nfs/dbraw/zinc/52/09/63/938520963.db2.gz WABREDSZYHXTDB-IAGOWNOFSA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)nc2c1 ZINC000538148514 938520970 /nfs/dbraw/zinc/52/09/70/938520970.db2.gz WABREDSZYHXTDB-IAGOWNOFSA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148514 938520976 /nfs/dbraw/zinc/52/09/76/938520976.db2.gz WABREDSZYHXTDB-IAGOWNOFSA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148514 938520987 /nfs/dbraw/zinc/52/09/87/938520987.db2.gz WABREDSZYHXTDB-IAGOWNOFSA-N 1 1 421.501 4.295 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000538149042 938521511 /nfs/dbraw/zinc/52/15/11/938521511.db2.gz GNXINERREZUQKB-HNNXBMFYSA-N 1 1 403.504 4.116 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-n2cccn2)c1 ZINC000538187948 938543598 /nfs/dbraw/zinc/54/35/98/938543598.db2.gz KCZDTSGKMQOIMB-CABCVRRESA-N 1 1 404.430 4.242 20 5 HIBDMO C[N@@H+](CCc1cccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1)C1CC1 ZINC000538230558 938566489 /nfs/dbraw/zinc/56/64/89/938566489.db2.gz UCUIGWSDVATPLX-UHFFFAOYSA-N 1 1 417.893 4.293 20 5 HIBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000538725098 938692730 /nfs/dbraw/zinc/69/27/30/938692730.db2.gz VKMSQPHDDCIHSB-KRWDZBQOSA-N 1 1 408.502 4.315 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@@H]2CCO)ccc1Oc1ccccc1Cl ZINC000538812856 938719441 /nfs/dbraw/zinc/71/94/41/938719441.db2.gz KZUGPLGSYJDIAS-HNNXBMFYSA-N 1 1 408.907 4.340 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@@H]2CCO)ccc1Oc1ccccc1Cl ZINC000538812856 938719443 /nfs/dbraw/zinc/71/94/43/938719443.db2.gz KZUGPLGSYJDIAS-HNNXBMFYSA-N 1 1 408.907 4.340 20 5 HIBDMO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)CC1CC1 ZINC000538948591 938745593 /nfs/dbraw/zinc/74/55/93/938745593.db2.gz MMBKMMMDACBHDN-SFHVURJKSA-N 1 1 416.566 4.064 20 5 HIBDMO CC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539123853 938806504 /nfs/dbraw/zinc/80/65/04/938806504.db2.gz BQJONTMLBFJWLH-RXVVDRJESA-N 1 1 419.884 4.190 20 5 HIBDMO CC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539123853 938806506 /nfs/dbraw/zinc/80/65/06/938806506.db2.gz BQJONTMLBFJWLH-RXVVDRJESA-N 1 1 419.884 4.190 20 5 HIBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000539827087 938948462 /nfs/dbraw/zinc/94/84/62/938948462.db2.gz YFEZEHXVTWALOM-FQEVSTJZSA-N 1 1 414.502 4.431 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000539831337 938950553 /nfs/dbraw/zinc/95/05/53/938950553.db2.gz KNJJIXMECDLFTK-ZBFHGGJFSA-N 1 1 404.772 4.396 20 5 HIBDMO COc1ccccc1[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000540162168 939097789 /nfs/dbraw/zinc/09/77/89/939097789.db2.gz HTOGUKCZFIEKLS-QRQCRPRQSA-N 1 1 409.442 4.293 20 5 HIBDMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000540374868 939215584 /nfs/dbraw/zinc/21/55/84/939215584.db2.gz TZKKSJJNUGFABG-HNNXBMFYSA-N 1 1 401.772 4.470 20 5 HIBDMO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000540376678 939217042 /nfs/dbraw/zinc/21/70/42/939217042.db2.gz QPAOJQKUZZZAKU-KSSFIOAISA-N 1 1 424.482 4.278 20 5 HIBDMO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000540413811 939240074 /nfs/dbraw/zinc/24/00/74/939240074.db2.gz HMHUOIUEERYXKG-KRWDZBQOSA-N 1 1 405.882 4.233 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1OC ZINC000541057539 939444290 /nfs/dbraw/zinc/44/42/90/939444290.db2.gz OUWYSTIWSXQXRM-GOEBONIOSA-N 1 1 418.494 4.099 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1OC ZINC000541057539 939444299 /nfs/dbraw/zinc/44/42/99/939444299.db2.gz OUWYSTIWSXQXRM-GOEBONIOSA-N 1 1 418.494 4.099 20 5 HIBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC2 ZINC000541620959 939572917 /nfs/dbraw/zinc/57/29/17/939572917.db2.gz USEPKFIJQJHVBK-UHFFFAOYSA-N 1 1 410.861 4.176 20 5 HIBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC2 ZINC000541620959 939572920 /nfs/dbraw/zinc/57/29/20/939572920.db2.gz USEPKFIJQJHVBK-UHFFFAOYSA-N 1 1 410.861 4.176 20 5 HIBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)cc1 ZINC000541686341 939601751 /nfs/dbraw/zinc/60/17/51/939601751.db2.gz HUWODVWHXACESD-OAHLLOKOSA-N 1 1 423.473 4.195 20 5 HIBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541695997 939607686 /nfs/dbraw/zinc/60/76/86/939607686.db2.gz JHPPYLCHVHJMCM-BEFAXECRSA-N 1 1 421.856 4.178 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541730513 939615894 /nfs/dbraw/zinc/61/58/94/939615894.db2.gz WKKMBXWZXMZDRI-JKSUJKDBSA-N 1 1 415.465 4.197 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000541773630 939626832 /nfs/dbraw/zinc/62/68/32/939626832.db2.gz FWXVCMWGNAOGGB-MRXNPFEDSA-N 1 1 400.454 4.076 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542328845 939801360 /nfs/dbraw/zinc/80/13/60/939801360.db2.gz NHOGWOPMEFJZFT-GASCZTMLSA-N 1 1 413.971 4.215 20 5 HIBDMO C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542613326 939848470 /nfs/dbraw/zinc/84/84/70/939848470.db2.gz SVGQJGPUHYSRGX-DLBZAZTESA-N 1 1 413.493 4.386 20 5 HIBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1C(F)(F)F ZINC000542865076 939864154 /nfs/dbraw/zinc/86/41/54/939864154.db2.gz YKEXNYFXCXPBKJ-KRWDZBQOSA-N 1 1 409.408 4.182 20 5 HIBDMO COc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000542962446 939887040 /nfs/dbraw/zinc/88/70/40/939887040.db2.gz QJNMSYOOXYDCDJ-LPHOPBHVSA-N 1 1 412.490 4.120 20 5 HIBDMO C[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543522318 940095276 /nfs/dbraw/zinc/09/52/76/940095276.db2.gz GLPMMYIRGXPTHV-GOSISDBHSA-N 1 1 413.493 4.005 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000543843093 940206022 /nfs/dbraw/zinc/20/60/22/940206022.db2.gz PCDWYHOEEARIIW-SQGPQFPESA-N 1 1 416.522 4.308 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000543843093 940206027 /nfs/dbraw/zinc/20/60/27/940206027.db2.gz PCDWYHOEEARIIW-SQGPQFPESA-N 1 1 416.522 4.308 20 5 HIBDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000544042662 940308552 /nfs/dbraw/zinc/30/85/52/940308552.db2.gz SXCQJKRHMSWJQB-UHFFFAOYSA-N 1 1 401.466 4.430 20 5 HIBDMO Cc1c(Br)c(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000544396287 940411521 /nfs/dbraw/zinc/41/15/21/940411521.db2.gz YEKURWYSNHIXGA-DZGCQCFKSA-N 1 1 411.344 4.152 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544398973 940412071 /nfs/dbraw/zinc/41/20/71/940412071.db2.gz JHDNBQRHHUADPO-IEBWSBKVSA-N 1 1 413.493 4.208 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)cc1OC ZINC000544564447 940480386 /nfs/dbraw/zinc/48/03/86/940480386.db2.gz GIXFKHLHPTWNET-SJORKVTESA-N 1 1 406.523 4.419 20 5 HIBDMO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000544597406 940487031 /nfs/dbraw/zinc/48/70/31/940487031.db2.gz FACVLJWTNFYXSV-SFHVURJKSA-N 1 1 406.490 4.169 20 5 HIBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000544597406 940487033 /nfs/dbraw/zinc/48/70/33/940487033.db2.gz FACVLJWTNFYXSV-SFHVURJKSA-N 1 1 406.490 4.169 20 5 HIBDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000544597406 940487038 /nfs/dbraw/zinc/48/70/38/940487038.db2.gz FACVLJWTNFYXSV-SFHVURJKSA-N 1 1 406.490 4.169 20 5 HIBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000544597406 940487043 /nfs/dbraw/zinc/48/70/43/940487043.db2.gz FACVLJWTNFYXSV-SFHVURJKSA-N 1 1 406.490 4.169 20 5 HIBDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000544597406 940487046 /nfs/dbraw/zinc/48/70/46/940487046.db2.gz FACVLJWTNFYXSV-SFHVURJKSA-N 1 1 406.490 4.169 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000545828723 940618432 /nfs/dbraw/zinc/61/84/32/940618432.db2.gz CQOGNZKXYABNIX-KUHUBIRLSA-N 1 1 419.522 4.272 20 5 HIBDMO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545830614 940619808 /nfs/dbraw/zinc/61/98/08/940619808.db2.gz BKCGRVOYKDMDIY-AEFFLSMTSA-N 1 1 413.493 4.038 20 5 HIBDMO Cc1c(Cc2noc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)cccc1[N+](=O)[O-] ZINC000546487069 940833274 /nfs/dbraw/zinc/83/32/74/940833274.db2.gz ZBQYQTMGZGIDJU-SFHVURJKSA-N 1 1 410.449 4.396 20 5 HIBDMO COc1cc(CNC[C@H]2CC[N@@H+](C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000548908937 941128830 /nfs/dbraw/zinc/12/88/30/941128830.db2.gz FVAVNNQMIZMBNS-HXUWFJFHSA-N 1 1 413.518 4.002 20 5 HIBDMO COc1cc(CNC[C@H]2CC[N@H+](C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000548908937 941128832 /nfs/dbraw/zinc/12/88/32/941128832.db2.gz FVAVNNQMIZMBNS-HXUWFJFHSA-N 1 1 413.518 4.002 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000548956722 941133749 /nfs/dbraw/zinc/13/37/49/941133749.db2.gz FRTYUFBIUDZTAK-KRWDZBQOSA-N 1 1 411.502 4.298 20 5 HIBDMO COc1ccc(-c2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 ZINC000549166964 941167642 /nfs/dbraw/zinc/16/76/42/941167642.db2.gz BBZYVTLOQIVKAK-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO COc1ccc(-c2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 ZINC000549166964 941167643 /nfs/dbraw/zinc/16/76/43/941167643.db2.gz BBZYVTLOQIVKAK-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO CC(=O)c1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000549232549 941172717 /nfs/dbraw/zinc/17/27/17/941172717.db2.gz IPMRNLSMVGNQEC-HXUWFJFHSA-N 1 1 423.513 4.138 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000549298935 941178102 /nfs/dbraw/zinc/17/81/02/941178102.db2.gz DLROCKNTEKQFQS-IEBWSBKVSA-N 1 1 411.502 4.119 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NCc3c(Cl)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549477261 941194517 /nfs/dbraw/zinc/19/45/17/941194517.db2.gz PZNKMHCPKKWVOL-FPOVZHCZSA-N 1 1 401.894 4.324 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NCc3c(Cl)cccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000549477261 941194521 /nfs/dbraw/zinc/19/45/21/941194521.db2.gz PZNKMHCPKKWVOL-FPOVZHCZSA-N 1 1 401.894 4.324 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NCc3c(Cl)cccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000549477261 941194523 /nfs/dbraw/zinc/19/45/23/941194523.db2.gz PZNKMHCPKKWVOL-FPOVZHCZSA-N 1 1 401.894 4.324 20 5 HIBDMO CC(C)(C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000549553089 941199154 /nfs/dbraw/zinc/19/91/54/941199154.db2.gz RLROGOHTIFKDQP-UHFFFAOYSA-N 1 1 402.520 4.344 20 5 HIBDMO CC1(C)SC[C@@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000549555608 941199229 /nfs/dbraw/zinc/19/92/29/941199229.db2.gz FLIQSDGNVSZMHH-IRXDYDNUSA-N 1 1 405.907 4.412 20 5 HIBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000551211253 941428428 /nfs/dbraw/zinc/42/84/28/941428428.db2.gz GRCRFYXFASRUHY-YPMHNXCESA-N 1 1 411.325 4.369 20 5 HIBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551250605 941435983 /nfs/dbraw/zinc/43/59/83/941435983.db2.gz OSRPCQIVSZEOFG-MRXNPFEDSA-N 1 1 421.419 4.208 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000552046989 941573234 /nfs/dbraw/zinc/57/32/34/941573234.db2.gz XEDVCMFRDCOSTG-MRXNPFEDSA-N 1 1 421.320 4.074 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000552247445 941613532 /nfs/dbraw/zinc/61/35/32/941613532.db2.gz PLFKYZFLXNGGNE-QFIPXVFZSA-N 1 1 407.518 4.048 20 5 HIBDMO CCOc1ccc(Cl)cc1CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552277374 941621170 /nfs/dbraw/zinc/62/11/70/941621170.db2.gz SPLUTKAKYOQJNX-FQEVSTJZSA-N 1 1 414.893 4.302 20 5 HIBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000553146383 941840822 /nfs/dbraw/zinc/84/08/22/941840822.db2.gz MBZNLQDOOYDLPP-UHFFFAOYSA-N 1 1 409.515 4.092 20 5 HIBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000553663876 941938884 /nfs/dbraw/zinc/93/88/84/941938884.db2.gz GXYIQRTYDOHWOS-UHFFFAOYSA-N 1 1 422.354 4.195 20 5 HIBDMO COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000553909433 941996276 /nfs/dbraw/zinc/99/62/76/941996276.db2.gz KWBREEPOPGZZGG-XJKSGUPXSA-N 1 1 407.417 4.225 20 5 HIBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000553909433 941996282 /nfs/dbraw/zinc/99/62/82/941996282.db2.gz KWBREEPOPGZZGG-XJKSGUPXSA-N 1 1 407.417 4.225 20 5 HIBDMO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887028 942308571 /nfs/dbraw/zinc/30/85/71/942308571.db2.gz APGHQFONPXQMKS-ACJLOTCBSA-N 1 1 422.323 4.389 20 5 HIBDMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887028 942308577 /nfs/dbraw/zinc/30/85/77/942308577.db2.gz APGHQFONPXQMKS-ACJLOTCBSA-N 1 1 422.323 4.389 20 5 HIBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887028 942308587 /nfs/dbraw/zinc/30/85/87/942308587.db2.gz APGHQFONPXQMKS-ACJLOTCBSA-N 1 1 422.323 4.389 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@](CO)(Cc4ccc(F)cc4)C3)o2)c1 ZINC000554890472 942310084 /nfs/dbraw/zinc/31/00/84/942310084.db2.gz YTEDASISLPWSKL-QHCPKHFHSA-N 1 1 410.445 4.421 20 5 HIBDMO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000554969833 942337602 /nfs/dbraw/zinc/33/76/02/942337602.db2.gz YMUQUYJPCIAXAH-MEBBXXQBSA-N 1 1 412.227 4.206 20 5 HIBDMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000554969831 942337876 /nfs/dbraw/zinc/33/78/76/942337876.db2.gz YMUQUYJPCIAXAH-BMIGLBTASA-N 1 1 412.227 4.206 20 5 HIBDMO COc1ccc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000555152683 942406862 /nfs/dbraw/zinc/40/68/62/942406862.db2.gz OPRLDESFFNEETM-PKOBYXMFSA-N 1 1 411.502 4.194 20 5 HIBDMO C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000555313012 942473501 /nfs/dbraw/zinc/47/35/01/942473501.db2.gz YVKXODOMBJYTCH-YADARESESA-N 1 1 407.514 4.213 20 5 HIBDMO O=C(C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000556521922 942891159 /nfs/dbraw/zinc/89/11/59/942891159.db2.gz BSWOCTQMMZJOGN-UHFFFAOYSA-N 1 1 407.495 4.264 20 5 HIBDMO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556867886 942944087 /nfs/dbraw/zinc/94/40/87/942944087.db2.gz BLWKRLXHDOMTCE-YADHBBJMSA-N 1 1 411.550 4.052 20 5 HIBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000556872506 942945807 /nfs/dbraw/zinc/94/58/07/942945807.db2.gz PAVXNPVJGVIXMF-IFXJQAMLSA-N 1 1 400.866 4.128 20 5 HIBDMO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556886594 942951235 /nfs/dbraw/zinc/95/12/35/942951235.db2.gz WZZPAERILZCAHZ-DENIHFKCSA-N 1 1 423.492 4.124 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)o2)c(Br)c1 ZINC000556895062 942955636 /nfs/dbraw/zinc/95/56/36/942955636.db2.gz IHCFBBZPZLTVBR-QGZVFWFLSA-N 1 1 407.264 4.228 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)o2)c(Br)c1 ZINC000556895062 942955644 /nfs/dbraw/zinc/95/56/44/942955644.db2.gz IHCFBBZPZLTVBR-QGZVFWFLSA-N 1 1 407.264 4.228 20 5 HIBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000557189810 943045686 /nfs/dbraw/zinc/04/56/86/943045686.db2.gz OGUDTLKSOFUCTP-UHFFFAOYSA-N 1 1 414.531 4.340 20 5 HIBDMO C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000557460010 943140225 /nfs/dbraw/zinc/14/02/25/943140225.db2.gz SBGPNTBAZHVEJX-FOIQADDNSA-N 1 1 411.433 4.078 20 5 HIBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000557482844 943159249 /nfs/dbraw/zinc/15/92/49/943159249.db2.gz AJZZAUDFPWHMIK-UHFFFAOYSA-N 1 1 424.407 4.012 20 5 HIBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558027434 943360464 /nfs/dbraw/zinc/36/04/64/943360464.db2.gz XRKALXYKMQLZAI-NJNPRVFISA-N 1 1 422.529 4.009 20 5 HIBDMO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000558562121 943599737 /nfs/dbraw/zinc/59/97/37/943599737.db2.gz HRMPZICLMVAUDS-IEBWSBKVSA-N 1 1 413.493 4.256 20 5 HIBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)C1 ZINC000559049837 943815636 /nfs/dbraw/zinc/81/56/36/943815636.db2.gz ZWCZYHLGQBQHMF-AWEZNQCLSA-N 1 1 413.440 4.084 20 5 HIBDMO Cn1ccnc1[C@@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549901 944251491 /nfs/dbraw/zinc/25/14/91/944251491.db2.gz IOJXHSHDOMCYJH-UPVQGACJSA-N 1 1 419.529 4.062 20 5 HIBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000560648958 944284484 /nfs/dbraw/zinc/28/44/84/944284484.db2.gz UNZFBJLNSPIMHG-UHFFFAOYSA-N 1 1 408.502 4.065 20 5 HIBDMO COc1cc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc([N+](=O)[O-])c1C ZINC000561115467 944463313 /nfs/dbraw/zinc/46/33/13/944463313.db2.gz ZNOHIZIOBTYRPD-UHFFFAOYSA-N 1 1 418.453 4.122 20 5 HIBDMO Cc1nn(C)c(NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000561345093 944557634 /nfs/dbraw/zinc/55/76/34/944557634.db2.gz KKDPTPPREAUVFF-AWEZNQCLSA-N 1 1 419.835 4.328 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562056364 944914746 /nfs/dbraw/zinc/91/47/46/944914746.db2.gz GOUAXUPLVLOSIS-DLBZAZTESA-N 1 1 414.893 4.234 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564422471 945573530 /nfs/dbraw/zinc/57/35/30/945573530.db2.gz AUKDMWFCFOIJRO-VQTJNVASSA-N 1 1 408.502 4.197 20 5 HIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000565334386 945814565 /nfs/dbraw/zinc/81/45/65/945814565.db2.gz MAZOIJULIKUPPG-IFMALSPDSA-N 1 1 424.501 4.265 20 5 HIBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC(F)F ZINC000567436377 946340287 /nfs/dbraw/zinc/34/02/87/946340287.db2.gz YYPRMTIZANAYJI-DLBZAZTESA-N 1 1 403.429 4.155 20 5 HIBDMO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328279 946509584 /nfs/dbraw/zinc/50/95/84/946509584.db2.gz OALMDMDULZAEER-JPYJTQIMSA-N 1 1 419.529 4.220 20 5 HIBDMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328279 946509592 /nfs/dbraw/zinc/50/95/92/946509592.db2.gz OALMDMDULZAEER-JPYJTQIMSA-N 1 1 419.529 4.220 20 5 HIBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328279 946509603 /nfs/dbraw/zinc/50/96/03/946509603.db2.gz OALMDMDULZAEER-JPYJTQIMSA-N 1 1 419.529 4.220 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000571543629 947695661 /nfs/dbraw/zinc/69/56/61/947695661.db2.gz QSMAUZFKNJXPAY-MRXNPFEDSA-N 1 1 407.392 4.008 20 5 HIBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000574326466 948413504 /nfs/dbraw/zinc/41/35/04/948413504.db2.gz NGXVEAMIPNZIFS-PXNSSMCTSA-N 1 1 410.518 4.152 20 5 HIBDMO Cc1nc(C(C)C)ccc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000574342367 948417049 /nfs/dbraw/zinc/41/70/49/948417049.db2.gz NZIAWKIXCZETOW-UHFFFAOYSA-N 1 1 408.506 4.010 20 5 HIBDMO C[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000574689924 948505379 /nfs/dbraw/zinc/50/53/79/948505379.db2.gz AXCIQAAOAQXQBC-KRWDZBQOSA-N 1 1 407.470 4.240 20 5 HIBDMO C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000574689924 948505385 /nfs/dbraw/zinc/50/53/85/948505385.db2.gz AXCIQAAOAQXQBC-KRWDZBQOSA-N 1 1 407.470 4.240 20 5 HIBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967009 948804291 /nfs/dbraw/zinc/80/42/91/948804291.db2.gz NRHZUUXQKYJOOO-KBXCAEBGSA-N 1 1 421.419 4.108 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000008319922 845513375 /nfs/dbraw/zinc/51/33/75/845513375.db2.gz KRPIYDOKXHWQPZ-MRXNPFEDSA-N 1 1 405.454 4.310 20 5 HIBDMO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000010351660 845649051 /nfs/dbraw/zinc/64/90/51/845649051.db2.gz HKQJZWDCSQUUQP-AOMKIAJQSA-N 1 1 405.454 4.310 20 5 HIBDMO CC(C)(C)Oc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000436320226 861624885 /nfs/dbraw/zinc/62/48/85/861624885.db2.gz HCYYUGFPGRSZOG-FQEVSTJZSA-N 1 1 413.518 4.341 20 5 HIBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCc2ccccc21 ZINC000018935225 846345893 /nfs/dbraw/zinc/34/58/93/846345893.db2.gz WVNXKVDKAAYDNS-SFHVURJKSA-N 1 1 418.291 4.305 20 5 HIBDMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000024743996 846861735 /nfs/dbraw/zinc/86/17/35/846861735.db2.gz PONHIDDIIVRJFP-ZDUSSCGKSA-N 1 1 421.881 4.033 20 5 HIBDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000024743996 846861738 /nfs/dbraw/zinc/86/17/38/846861738.db2.gz PONHIDDIIVRJFP-ZDUSSCGKSA-N 1 1 421.881 4.033 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000025697834 847021629 /nfs/dbraw/zinc/02/16/29/847021629.db2.gz PVSQXTBZSGCIKQ-MGPUTAFESA-N 1 1 416.524 4.105 20 5 HIBDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026264097 847116732 /nfs/dbraw/zinc/11/67/32/847116732.db2.gz BDGVHQGXZDIMLA-FQEVSTJZSA-N 1 1 413.474 4.168 20 5 HIBDMO CCOc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026454537 847153788 /nfs/dbraw/zinc/15/37/88/847153788.db2.gz OUNFRPRJWYDAON-CYBMUJFWSA-N 1 1 423.416 4.054 20 5 HIBDMO CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026454537 847153792 /nfs/dbraw/zinc/15/37/92/847153792.db2.gz OUNFRPRJWYDAON-CYBMUJFWSA-N 1 1 423.416 4.054 20 5 HIBDMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029527629 847575307 /nfs/dbraw/zinc/57/53/07/847575307.db2.gz GPBWGSIXRJIINM-UHFFFAOYSA-N 1 1 417.922 4.032 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000029828858 847627219 /nfs/dbraw/zinc/62/72/19/847627219.db2.gz JNONZBZILQYWIR-INIZCTEOSA-N 1 1 408.458 4.253 20 5 HIBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036074998 848146042 /nfs/dbraw/zinc/14/60/42/848146042.db2.gz VOHLSGLYUHZFRO-SFHVURJKSA-N 1 1 408.285 4.469 20 5 HIBDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccccc2c2cccnc12 ZINC000046762813 848929713 /nfs/dbraw/zinc/92/97/13/848929713.db2.gz ALGHUTYYIOSBIK-UHFFFAOYSA-N 1 1 411.505 4.150 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000046816311 848941140 /nfs/dbraw/zinc/94/11/40/848941140.db2.gz NIHHZIMCTCQYFM-OAHLLOKOSA-N 1 1 401.894 4.410 20 5 HIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054434106 849867268 /nfs/dbraw/zinc/86/72/68/849867268.db2.gz DMSLMXBEXJFSFJ-UHFFFAOYSA-N 1 1 407.474 4.327 20 5 HIBDMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000057530655 850660278 /nfs/dbraw/zinc/66/02/78/850660278.db2.gz OEZUIJWIYAOLNR-UHFFFAOYSA-N 1 1 403.504 4.160 20 5 HIBDMO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437013484 862191488 /nfs/dbraw/zinc/19/14/88/862191488.db2.gz QRXLTHLEIHLENG-SFHVURJKSA-N 1 1 421.419 4.350 20 5 HIBDMO Cc1noc(C)c1CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000059039021 850982059 /nfs/dbraw/zinc/98/20/59/850982059.db2.gz VAXDJARFUVCCGE-UHFFFAOYSA-N 1 1 412.515 4.246 20 5 HIBDMO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000060558186 851147405 /nfs/dbraw/zinc/14/74/05/851147405.db2.gz CRMOZKPVNZLJOJ-KSFYIVLOSA-N 1 1 405.454 4.310 20 5 HIBDMO CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000063510793 851706628 /nfs/dbraw/zinc/70/66/28/851706628.db2.gz QPHUQMUGPPCMMD-UWJYYQICSA-N 1 1 421.501 4.302 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065867810 852291137 /nfs/dbraw/zinc/29/11/37/852291137.db2.gz YUHDYUZPDMOLTP-GOSISDBHSA-N 1 1 420.513 4.240 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000069040459 852381811 /nfs/dbraw/zinc/38/18/11/852381811.db2.gz ZWVPSAQJEHYIMH-QGZVFWFLSA-N 1 1 405.520 4.359 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)C1 ZINC000071906413 852428991 /nfs/dbraw/zinc/42/89/91/852428991.db2.gz TWRLYIPAUAXULL-HNNXBMFYSA-N 1 1 401.894 4.410 20 5 HIBDMO CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000107584791 852779166 /nfs/dbraw/zinc/77/91/66/852779166.db2.gz XGDGICLWAWLOBS-QGZVFWFLSA-N 1 1 411.502 4.155 20 5 HIBDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000112563038 853232716 /nfs/dbraw/zinc/23/27/16/853232716.db2.gz LQNSYPVJEUEFMB-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO Cc1cc(NCCc2[nH+]ccn2Cc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000140909570 853455928 /nfs/dbraw/zinc/45/59/28/853455928.db2.gz ONDZTQCEVMSATE-UHFFFAOYSA-N 1 1 414.469 4.260 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CC[N@H+](C4CC4)C3)o2)c(Br)c1 ZINC000236569254 853899400 /nfs/dbraw/zinc/89/94/00/853899400.db2.gz LJVPTTXDEUADKN-CYBMUJFWSA-N 1 1 420.307 4.191 20 5 HIBDMO CC[N@@H+]1CCC[C@H](CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236836885 853927767 /nfs/dbraw/zinc/92/77/67/853927767.db2.gz RIOBHHMORHBROU-LJQANCHMSA-N 1 1 419.529 4.269 20 5 HIBDMO CC[N@H+]1CCC[C@H](CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236836885 853927771 /nfs/dbraw/zinc/92/77/71/853927771.db2.gz RIOBHHMORHBROU-LJQANCHMSA-N 1 1 419.529 4.269 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236970163 853944472 /nfs/dbraw/zinc/94/44/72/853944472.db2.gz YOIZTXUOWGGAOS-HSZRJFAPSA-N 1 1 424.522 4.440 20 5 HIBDMO CCc1nc(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000237053961 853957828 /nfs/dbraw/zinc/95/78/28/853957828.db2.gz PMAFITYMSPSQDB-UHFFFAOYSA-N 1 1 413.499 4.491 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc(O)c(F)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237100034 853963977 /nfs/dbraw/zinc/96/39/77/853963977.db2.gz NIAGZLOPAWXEFV-UHFFFAOYSA-N 1 1 412.417 4.317 20 5 HIBDMO COc1cc(C)ccc1C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000237103358 853965142 /nfs/dbraw/zinc/96/51/42/853965142.db2.gz VRBRKJCHQVYJTL-UHFFFAOYSA-N 1 1 414.380 4.151 20 5 HIBDMO COc1ncccc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237123845 853967528 /nfs/dbraw/zinc/96/75/28/853967528.db2.gz HFEWDOLJBGRILG-UHFFFAOYSA-N 1 1 418.247 4.311 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccccc2OCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000237220571 853985609 /nfs/dbraw/zinc/98/56/09/853985609.db2.gz DGPFQNRTMVXNOV-UHFFFAOYSA-N 1 1 408.454 4.481 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cs2)c1 ZINC000238009859 854132698 /nfs/dbraw/zinc/13/26/98/854132698.db2.gz KQYGPIFWNZQWDE-LJQANCHMSA-N 1 1 408.527 4.473 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cs2)c1 ZINC000238009859 854132706 /nfs/dbraw/zinc/13/27/06/854132706.db2.gz KQYGPIFWNZQWDE-LJQANCHMSA-N 1 1 408.527 4.473 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccc(Cn4ccnc4)c3)cs2)c1 ZINC000238009297 854133008 /nfs/dbraw/zinc/13/30/08/854133008.db2.gz BIEZXXWLUKTUOA-UHFFFAOYSA-N 1 1 405.483 4.253 20 5 HIBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1Cc1ccccc1 ZINC000301509156 854409747 /nfs/dbraw/zinc/40/97/47/854409747.db2.gz ASASWUMNQBYCSW-HIFRSBDPSA-N 1 1 405.296 4.217 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301567337 854421896 /nfs/dbraw/zinc/42/18/96/854421896.db2.gz JZTDVNDYESPUEF-PXNSSMCTSA-N 1 1 410.518 4.056 20 5 HIBDMO Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2cc([N+](=O)[O-])ccc2n1 ZINC000302878379 854665459 /nfs/dbraw/zinc/66/54/59/854665459.db2.gz HCIYCLKTJOGWDQ-HXUWFJFHSA-N 1 1 406.486 4.020 20 5 HIBDMO Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2cc([N+](=O)[O-])ccc2n1 ZINC000302878379 854665464 /nfs/dbraw/zinc/66/54/64/854665464.db2.gz HCIYCLKTJOGWDQ-HXUWFJFHSA-N 1 1 406.486 4.020 20 5 HIBDMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000302902723 854673058 /nfs/dbraw/zinc/67/30/58/854673058.db2.gz XRPAXEFBIQDREJ-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO C[C@H](c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1)[NH+]1CCOCC1 ZINC000303461010 854961185 /nfs/dbraw/zinc/96/11/85/854961185.db2.gz LNJHSQNDBCTUEX-CYBMUJFWSA-N 1 1 404.854 4.285 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000303754848 855175313 /nfs/dbraw/zinc/17/53/13/855175313.db2.gz MUBXLQSGHMTQAL-NVXWUHKLSA-N 1 1 401.894 4.373 20 5 HIBDMO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000303963332 855324282 /nfs/dbraw/zinc/32/42/82/855324282.db2.gz XKCXUPGWJMVVIJ-INIZCTEOSA-N 1 1 403.866 4.207 20 5 HIBDMO Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000409644270 855579357 /nfs/dbraw/zinc/57/93/57/855579357.db2.gz HWRMRBNHFFDYQX-GOSISDBHSA-N 1 1 418.501 4.277 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1Cl ZINC000426235245 856192697 /nfs/dbraw/zinc/19/26/97/856192697.db2.gz CKKBOZLRZAHICA-FQEVSTJZSA-N 1 1 416.909 4.225 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000437465979 862827929 /nfs/dbraw/zinc/82/79/29/862827929.db2.gz HRNURRAGCWIWSL-ROUUACIJSA-N 1 1 413.543 4.198 20 5 HIBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000437520785 862864636 /nfs/dbraw/zinc/86/46/36/862864636.db2.gz ZPQAXZAPUVJWNJ-UHFFFAOYSA-N 1 1 404.536 4.400 20 5 HIBDMO Cc1cnc([C@H](C)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cn1 ZINC000428480139 857219894 /nfs/dbraw/zinc/21/98/94/857219894.db2.gz BLJCSSCSIKSYNC-KRWDZBQOSA-N 1 1 423.542 4.301 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000428919158 857414276 /nfs/dbraw/zinc/41/42/76/857414276.db2.gz DSNKZUNKYVJFBB-LQWHRVPQSA-N 1 1 410.518 4.317 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1OCCc2sccc21 ZINC000429158638 857534863 /nfs/dbraw/zinc/53/48/63/857534863.db2.gz CRYWEJZCMNHECX-BWACUDIHSA-N 1 1 400.460 4.059 20 5 HIBDMO CSC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286585 857591854 /nfs/dbraw/zinc/59/18/54/857591854.db2.gz SDKRPYJRCNWXIY-ZIAGYGMSSA-N 1 1 420.560 4.120 20 5 HIBDMO CSC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286585 857591864 /nfs/dbraw/zinc/59/18/64/857591864.db2.gz SDKRPYJRCNWXIY-ZIAGYGMSSA-N 1 1 420.560 4.120 20 5 HIBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000437640910 862968979 /nfs/dbraw/zinc/96/89/79/862968979.db2.gz NYORVMFBSYPWFG-LJQANCHMSA-N 1 1 410.474 4.189 20 5 HIBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000437640910 862968987 /nfs/dbraw/zinc/96/89/87/862968987.db2.gz NYORVMFBSYPWFG-LJQANCHMSA-N 1 1 410.474 4.189 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000430194919 858076312 /nfs/dbraw/zinc/07/63/12/858076312.db2.gz LJNQYNYIYDGTQG-INIZCTEOSA-N 1 1 412.421 4.172 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000431174320 858486989 /nfs/dbraw/zinc/48/69/89/858486989.db2.gz BCGRMDMOIDCTTF-INIZCTEOSA-N 1 1 412.490 4.045 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431335702 858571011 /nfs/dbraw/zinc/57/10/11/858571011.db2.gz DZRVWIZYZIHHOX-HUUCEWRRSA-N 1 1 424.339 4.084 20 5 HIBDMO CC(C)(NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431408098 858600783 /nfs/dbraw/zinc/60/07/83/858600783.db2.gz AWGBCZROOGHBLS-UHFFFAOYSA-N 1 1 414.531 4.200 20 5 HIBDMO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000433993018 860023514 /nfs/dbraw/zinc/02/35/14/860023514.db2.gz GWBLJZGIJSYHEP-UHFFFAOYSA-N 1 1 413.522 4.136 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000467700758 881496140 /nfs/dbraw/zinc/49/61/40/881496140.db2.gz NOODGPZGMGPWSC-BBRMVZONSA-N 1 1 407.392 4.006 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[N@@H+](Cc4ccccc4)CC3)cs2)c1 ZINC000435773484 861048194 /nfs/dbraw/zinc/04/81/94/861048194.db2.gz LLDUXIPPFYGHHP-UHFFFAOYSA-N 1 1 408.527 4.426 20 5 HIBDMO C[N@@H+](CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 ZINC000435874721 861134233 /nfs/dbraw/zinc/13/42/33/861134233.db2.gz NCTRUGFWYUTTLO-UHFFFAOYSA-N 1 1 409.505 4.205 20 5 HIBDMO COc1ccc(C[N@H+](C)[C@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438482349 863898798 /nfs/dbraw/zinc/89/87/98/863898798.db2.gz YAZRQXBRUWYWKX-HNNXBMFYSA-N 1 1 407.264 4.322 20 5 HIBDMO COc1ccc(C[N@@H+](C)[C@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438482349 863898802 /nfs/dbraw/zinc/89/88/02/863898802.db2.gz YAZRQXBRUWYWKX-HNNXBMFYSA-N 1 1 407.264 4.322 20 5 HIBDMO C[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000438552370 863982351 /nfs/dbraw/zinc/98/23/51/863982351.db2.gz HULUFQBOYNNEMK-UHFFFAOYSA-N 1 1 406.866 4.014 20 5 HIBDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065521 864517309 /nfs/dbraw/zinc/51/73/09/864517309.db2.gz AUEBVWKTJMXLPB-IERDGZPVSA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065521 864517313 /nfs/dbraw/zinc/51/73/13/864517313.db2.gz AUEBVWKTJMXLPB-IERDGZPVSA-N 1 1 411.506 4.063 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCCOCc1ccccc1 ZINC000439479258 864846505 /nfs/dbraw/zinc/84/65/05/864846505.db2.gz RISPJRPEQGTUGC-HNNXBMFYSA-N 1 1 405.882 4.114 20 5 HIBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442730822 867653076 /nfs/dbraw/zinc/65/30/76/867653076.db2.gz FZTPZYGZEXNHJU-INIZCTEOSA-N 1 1 411.527 4.493 20 5 HIBDMO CO[C@H](C)c1nc(CN2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250672 882155063 /nfs/dbraw/zinc/15/50/63/882155063.db2.gz LPSPEKKGMCYRNP-HZPDHXFCSA-N 1 1 404.536 4.028 20 5 HIBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000443859126 868392028 /nfs/dbraw/zinc/39/20/28/868392028.db2.gz WVCDUWRVSCXWBP-HNNXBMFYSA-N 1 1 405.376 4.238 20 5 HIBDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443875025 868405666 /nfs/dbraw/zinc/40/56/66/868405666.db2.gz IJBCPDXJAMVJBV-UVFQYZLESA-N 1 1 417.893 4.163 20 5 HIBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443875025 868405683 /nfs/dbraw/zinc/40/56/83/868405683.db2.gz IJBCPDXJAMVJBV-UVFQYZLESA-N 1 1 417.893 4.163 20 5 HIBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+](C)Cc1ccccc1 ZINC000444004971 868526647 /nfs/dbraw/zinc/52/66/47/868526647.db2.gz UFRBAKHHEYCMRL-MRXNPFEDSA-N 1 1 417.484 4.071 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444032414 868565707 /nfs/dbraw/zinc/56/57/07/868565707.db2.gz KOOVGUUTMPAZNU-RTBURBONSA-N 1 1 417.553 4.408 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444036141 868572612 /nfs/dbraw/zinc/57/26/12/868572612.db2.gz XTIOVLFOZOPWEZ-UHFFFAOYSA-N 1 1 405.542 4.265 20 5 HIBDMO Cc1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1-c1ccc(Cl)cc1 ZINC000468284282 882207894 /nfs/dbraw/zinc/20/78/94/882207894.db2.gz CZKUDVTTZJYABW-MRXNPFEDSA-N 1 1 413.865 4.293 20 5 HIBDMO Cc1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1-c1ccc(Cl)cc1 ZINC000468284282 882207921 /nfs/dbraw/zinc/20/79/21/882207921.db2.gz CZKUDVTTZJYABW-MRXNPFEDSA-N 1 1 413.865 4.293 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000444675176 868953225 /nfs/dbraw/zinc/95/32/25/868953225.db2.gz LTUHHZJVASTEAU-NWDGAFQWSA-N 1 1 403.389 4.017 20 5 HIBDMO Cc1cc(Br)ccc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444696925 868962649 /nfs/dbraw/zinc/96/26/49/868962649.db2.gz JQWQRIQVJMYTBH-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444696925 868962652 /nfs/dbraw/zinc/96/26/52/868962652.db2.gz JQWQRIQVJMYTBH-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444707472 868968314 /nfs/dbraw/zinc/96/83/14/868968314.db2.gz QEQSTCKFSIVULR-ZDUSSCGKSA-N 1 1 406.280 4.125 20 5 HIBDMO Cc1cc(Br)ccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444707472 868968319 /nfs/dbraw/zinc/96/83/19/868968319.db2.gz QEQSTCKFSIVULR-ZDUSSCGKSA-N 1 1 406.280 4.125 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000444856688 869058521 /nfs/dbraw/zinc/05/85/21/869058521.db2.gz ZOHNBGRMQVJVGZ-HDICACEKSA-N 1 1 405.542 4.169 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)CC2 ZINC000446712173 870628601 /nfs/dbraw/zinc/62/86/01/870628601.db2.gz QEPUDLYJYDWPRQ-XMMPIXPASA-N 1 1 418.493 4.120 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)CC2 ZINC000446712173 870628619 /nfs/dbraw/zinc/62/86/19/870628619.db2.gz QEPUDLYJYDWPRQ-XMMPIXPASA-N 1 1 418.493 4.120 20 5 HIBDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840690 870758338 /nfs/dbraw/zinc/75/83/38/870758338.db2.gz HWJTWCVSYXZSPB-UHFFFAOYSA-N 1 1 424.892 4.276 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000446974395 870872603 /nfs/dbraw/zinc/87/26/03/870872603.db2.gz IKXSPHQETJPYGQ-JTQLQIEISA-N 1 1 416.318 4.319 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000446974395 870872606 /nfs/dbraw/zinc/87/26/06/870872606.db2.gz IKXSPHQETJPYGQ-JTQLQIEISA-N 1 1 416.318 4.319 20 5 HIBDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)n1 ZINC000446975189 870873682 /nfs/dbraw/zinc/87/36/82/870873682.db2.gz PUYWSUFRDHJLEK-HNNXBMFYSA-N 1 1 413.503 4.152 20 5 HIBDMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448444069 872386348 /nfs/dbraw/zinc/38/63/48/872386348.db2.gz APCKJFQKXPPQRN-GCJKJVERSA-N 1 1 420.513 4.427 20 5 HIBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000461099627 874018652 /nfs/dbraw/zinc/01/86/52/874018652.db2.gz FVHKXERNXMGUJM-UHFFFAOYSA-N 1 1 422.312 4.225 20 5 HIBDMO CCCOc1ccc(Br)cc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000462342290 875457290 /nfs/dbraw/zinc/45/72/90/875457290.db2.gz AUBMSXYWLGLZAJ-UHFFFAOYSA-N 1 1 406.280 4.099 20 5 HIBDMO CCCOc1ccc(Br)cc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000462342290 875457298 /nfs/dbraw/zinc/45/72/98/875457298.db2.gz AUBMSXYWLGLZAJ-UHFFFAOYSA-N 1 1 406.280 4.099 20 5 HIBDMO C[C@H](c1ccsc1)[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000462457403 875563292 /nfs/dbraw/zinc/56/32/92/875563292.db2.gz ZLNDFMVYYOYJNC-MRXNPFEDSA-N 1 1 412.515 4.233 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462621718 875733230 /nfs/dbraw/zinc/73/32/30/875733230.db2.gz RZDKCRBPAVSZKU-SIKLNZKXSA-N 1 1 409.530 4.287 20 5 HIBDMO COc1cc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000462925852 875955576 /nfs/dbraw/zinc/95/55/76/875955576.db2.gz PRHKJOHUBJLCKZ-UHFFFAOYSA-N 1 1 409.408 4.335 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000463245408 876303322 /nfs/dbraw/zinc/30/33/22/876303322.db2.gz LOGDMKVHKDHUBL-UHFFFAOYSA-N 1 1 407.436 4.410 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000463281622 876337280 /nfs/dbraw/zinc/33/72/80/876337280.db2.gz VWTBFIOKUQATMD-AVRDEDQJSA-N 1 1 410.518 4.035 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463441110 876498934 /nfs/dbraw/zinc/49/89/34/876498934.db2.gz HXPFRIKWYZJFHJ-GAJHUEQPSA-N 1 1 422.485 4.023 20 5 HIBDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000468999180 883065330 /nfs/dbraw/zinc/06/53/30/883065330.db2.gz NYNOXPOKNSAIEZ-NWDGAFQWSA-N 1 1 422.279 4.044 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)c([N+](=O)[O-])cc1O ZINC000463708867 876827768 /nfs/dbraw/zinc/82/77/68/876827768.db2.gz CGTRZWOPPUAPFL-UHFFFAOYSA-N 1 1 412.417 4.317 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463753191 876876290 /nfs/dbraw/zinc/87/62/90/876876290.db2.gz CQHOPTMUZGQBEH-UHFFFAOYSA-N 1 1 409.408 4.384 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463755828 876879012 /nfs/dbraw/zinc/87/90/12/876879012.db2.gz OKHVPIOXQSNHAP-MRXNPFEDSA-N 1 1 413.440 4.388 20 5 HIBDMO CC1CCC(N(C(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C2CC2)CC1 ZINC000464775210 878017223 /nfs/dbraw/zinc/01/72/23/878017223.db2.gz LZHBLDOWWUQJNK-UHFFFAOYSA-N 1 1 415.534 4.008 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000465183008 878571551 /nfs/dbraw/zinc/57/15/51/878571551.db2.gz HBGKFIKBPUJFSV-CQSZACIVSA-N 1 1 403.866 4.221 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2)C1 ZINC000465195884 878596128 /nfs/dbraw/zinc/59/61/28/878596128.db2.gz OHNFTJUSMAAWDF-CQSZACIVSA-N 1 1 403.866 4.221 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000503417942 912406153 /nfs/dbraw/zinc/40/61/53/912406153.db2.gz HXFRUSHIYBDVDU-UHFFFAOYSA-N 1 1 414.531 4.199 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)co2)cc1 ZINC000503430433 912429373 /nfs/dbraw/zinc/42/93/73/912429373.db2.gz CSRVLBBPZIATKF-KRWDZBQOSA-N 1 1 407.474 4.162 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000503575568 912656842 /nfs/dbraw/zinc/65/68/42/912656842.db2.gz GUNFMMKXKADEIU-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2c(Br)cccc2C1 ZINC000503575568 912656849 /nfs/dbraw/zinc/65/68/49/912656849.db2.gz GUNFMMKXKADEIU-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000469998379 884214572 /nfs/dbraw/zinc/21/45/72/884214572.db2.gz DPCAUEKWUXFISC-AWEZNQCLSA-N 1 1 412.355 4.410 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000469998379 884214594 /nfs/dbraw/zinc/21/45/94/884214594.db2.gz DPCAUEKWUXFISC-AWEZNQCLSA-N 1 1 412.355 4.410 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470665965 885093241 /nfs/dbraw/zinc/09/32/41/885093241.db2.gz GYBVOSAGQRLPEL-FXAWDEMLSA-N 1 1 413.543 4.198 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178973 885742969 /nfs/dbraw/zinc/74/29/69/885742969.db2.gz UQMKRHXMKWMGEA-WIYYLYMNSA-N 1 1 419.485 4.186 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178973 885742974 /nfs/dbraw/zinc/74/29/74/885742974.db2.gz UQMKRHXMKWMGEA-WIYYLYMNSA-N 1 1 419.485 4.186 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC[N@H+]2C2CC2)c1 ZINC000471937584 886734642 /nfs/dbraw/zinc/73/46/42/886734642.db2.gz SUFHXOLWVWXCIK-KNQAVFIVSA-N 1 1 424.501 4.320 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000471940056 886737937 /nfs/dbraw/zinc/73/79/37/886737937.db2.gz NBCUQKVZCSWTGH-APWZRJJASA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000471940056 886737942 /nfs/dbraw/zinc/73/79/42/886737942.db2.gz NBCUQKVZCSWTGH-APWZRJJASA-N 1 1 402.882 4.432 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCSC3(CCOCC3)C2)cc1OC ZINC000473204167 887980441 /nfs/dbraw/zinc/98/04/41/887980441.db2.gz FPRDTUXGQQAQGU-INIZCTEOSA-N 1 1 424.563 4.126 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCSC3(CCOCC3)C2)cc1OC ZINC000473204167 887980453 /nfs/dbraw/zinc/98/04/53/887980453.db2.gz FPRDTUXGQQAQGU-INIZCTEOSA-N 1 1 424.563 4.126 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCOC(F)(F)F)c1ccccc1 ZINC000473779316 888582295 /nfs/dbraw/zinc/58/22/95/888582295.db2.gz DBSIKJPLGMMLDF-OAHLLOKOSA-N 1 1 417.771 4.054 20 5 HIBDMO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473790447 888604405 /nfs/dbraw/zinc/60/44/05/888604405.db2.gz UXNUXWIBEJWBGM-KNQAVFIVSA-N 1 1 408.502 4.422 20 5 HIBDMO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473945097 888821553 /nfs/dbraw/zinc/82/15/53/888821553.db2.gz MJMIISFKIKAFIZ-GCJKJVERSA-N 1 1 410.518 4.004 20 5 HIBDMO C[C@@H](NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000473953369 888826070 /nfs/dbraw/zinc/82/60/70/888826070.db2.gz SVZSMPKXNXYSLU-FOUBCARRSA-N 1 1 410.518 4.112 20 5 HIBDMO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000474182342 889021646 /nfs/dbraw/zinc/02/16/46/889021646.db2.gz YUXBASCGJYLKHF-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000474182342 889021665 /nfs/dbraw/zinc/02/16/65/889021665.db2.gz YUXBASCGJYLKHF-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000475196348 890065245 /nfs/dbraw/zinc/06/52/45/890065245.db2.gz UTQKYDVEMYUTBN-OLZOCXBDSA-N 1 1 414.428 4.388 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000475585585 890513480 /nfs/dbraw/zinc/51/34/80/890513480.db2.gz WBGJSGBEUDCDES-QGZVFWFLSA-N 1 1 404.850 4.137 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000475585585 890513486 /nfs/dbraw/zinc/51/34/86/890513486.db2.gz WBGJSGBEUDCDES-QGZVFWFLSA-N 1 1 404.850 4.137 20 5 HIBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000475624453 890561293 /nfs/dbraw/zinc/56/12/93/890561293.db2.gz JXVPXTOMWSOWRS-HNNXBMFYSA-N 1 1 419.197 4.199 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706052 890642894 /nfs/dbraw/zinc/64/28/94/890642894.db2.gz NFAYBENZDUVMEO-RHSMWYFYSA-N 1 1 402.447 4.021 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706052 890642901 /nfs/dbraw/zinc/64/29/01/890642901.db2.gz NFAYBENZDUVMEO-RHSMWYFYSA-N 1 1 402.447 4.021 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706056 890643246 /nfs/dbraw/zinc/64/32/46/890643246.db2.gz NFAYBENZDUVMEO-YOEHRIQHSA-N 1 1 402.447 4.021 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706056 890643257 /nfs/dbraw/zinc/64/32/57/890643257.db2.gz NFAYBENZDUVMEO-YOEHRIQHSA-N 1 1 402.447 4.021 20 5 HIBDMO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[N@H+](C)Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504830679 913551278 /nfs/dbraw/zinc/55/12/78/913551278.db2.gz JKMNHCOZFGSEQX-ROUUACIJSA-N 1 1 422.529 4.169 20 5 HIBDMO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[N@@H+](C)Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504830679 913551293 /nfs/dbraw/zinc/55/12/93/913551293.db2.gz JKMNHCOZFGSEQX-ROUUACIJSA-N 1 1 422.529 4.169 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000476986039 891912359 /nfs/dbraw/zinc/91/23/59/891912359.db2.gz QMJFUZZICMFCAX-KRWDZBQOSA-N 1 1 413.522 4.121 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000476986040 891912601 /nfs/dbraw/zinc/91/26/01/891912601.db2.gz QMJFUZZICMFCAX-QGZVFWFLSA-N 1 1 413.522 4.121 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000477015826 891942288 /nfs/dbraw/zinc/94/22/88/891942288.db2.gz YPCNYNJVMUBHLT-ZIAGYGMSSA-N 1 1 405.882 4.319 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000477379297 892339184 /nfs/dbraw/zinc/33/91/84/892339184.db2.gz ZTQFGTPTRRTVBQ-YQQQUEKLSA-N 1 1 413.905 4.482 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000478048812 893195644 /nfs/dbraw/zinc/19/56/44/893195644.db2.gz SYUYULQMQKZFBV-UHFFFAOYSA-N 1 1 416.909 4.165 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000478359655 893613247 /nfs/dbraw/zinc/61/32/47/893613247.db2.gz KQVUSRCJMIAOKH-MRXNPFEDSA-N 1 1 405.564 4.433 20 5 HIBDMO CSc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000478631262 893886036 /nfs/dbraw/zinc/88/60/36/893886036.db2.gz KBQQSFUFUTWAPX-MRXNPFEDSA-N 1 1 405.564 4.433 20 5 HIBDMO CCOc1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000479361175 894660167 /nfs/dbraw/zinc/66/01/67/894660167.db2.gz HSEXKGHQQYBYTD-KRWDZBQOSA-N 1 1 411.502 4.298 20 5 HIBDMO C[C@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479442753 894759536 /nfs/dbraw/zinc/75/95/36/894759536.db2.gz YFTDBNBGIAJOID-MSOLQXFVSA-N 1 1 402.539 4.342 20 5 HIBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Br)ccc1Br ZINC000479578469 894870040 /nfs/dbraw/zinc/87/00/40/894870040.db2.gz LGMGOFFOXXOWGZ-UHFFFAOYSA-N 1 1 400.070 4.410 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(F)c1 ZINC000479893974 895240483 /nfs/dbraw/zinc/24/04/83/895240483.db2.gz SHYBXRLXMPBOKM-UHFFFAOYSA-N 1 1 403.417 4.271 20 5 HIBDMO COc1cc(CN2CCC[N@H+](C(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000505300978 913961847 /nfs/dbraw/zinc/96/18/47/913961847.db2.gz CFHRXODKJVFIFS-UHFFFAOYSA-N 1 1 413.518 4.099 20 5 HIBDMO Cc1c(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000480060624 895409221 /nfs/dbraw/zinc/40/92/21/895409221.db2.gz ARQOETIWVXMGEA-DEOSSOPVSA-N 1 1 422.529 4.101 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)o2)c1 ZINC000481691920 897077694 /nfs/dbraw/zinc/07/76/94/897077694.db2.gz GQSJNKABBVIGPQ-QHCPKHFHSA-N 1 1 405.454 4.314 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000481807105 897184371 /nfs/dbraw/zinc/18/43/71/897184371.db2.gz NVSVECPWNBURFS-UHFFFAOYSA-N 1 1 413.543 4.274 20 5 HIBDMO Cc1nc2ccccc2n1C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000482892133 898509120 /nfs/dbraw/zinc/50/91/20/898509120.db2.gz UHLFLXARPPRESB-UHFFFAOYSA-N 1 1 418.457 4.140 20 5 HIBDMO CO[C@]1(C)CCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037885 898705454 /nfs/dbraw/zinc/70/54/54/898705454.db2.gz FGJJLQKKJDBDPA-JTHBVZDNSA-N 1 1 411.502 4.474 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483586354 899237801 /nfs/dbraw/zinc/23/78/01/899237801.db2.gz WDQVXCCALVLSQG-UWJYYQICSA-N 1 1 413.905 4.375 20 5 HIBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)C1 ZINC000505658801 914357174 /nfs/dbraw/zinc/35/71/74/914357174.db2.gz OYGFHNKRVHCPSA-QFIPXVFZSA-N 1 1 411.527 4.304 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000483996679 899637554 /nfs/dbraw/zinc/63/75/54/899637554.db2.gz VQZYFXAXPIOCTH-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000483996679 899637573 /nfs/dbraw/zinc/63/75/73/899637573.db2.gz VQZYFXAXPIOCTH-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO CCc1ccc([C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cc1 ZINC000484566666 900037773 /nfs/dbraw/zinc/03/77/73/900037773.db2.gz HHOREBRCDMUZMY-QFIPXVFZSA-N 1 1 407.470 4.428 20 5 HIBDMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000484793926 900198488 /nfs/dbraw/zinc/19/84/88/900198488.db2.gz QMZIPEPQLGCCDU-HXUWFJFHSA-N 1 1 407.495 4.186 20 5 HIBDMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000484793926 900198500 /nfs/dbraw/zinc/19/85/00/900198500.db2.gz QMZIPEPQLGCCDU-HXUWFJFHSA-N 1 1 407.495 4.186 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484950590 900317065 /nfs/dbraw/zinc/31/70/65/900317065.db2.gz XKNBGLQNCLKQOS-LEWJYISDSA-N 1 1 407.514 4.114 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000485162883 900461842 /nfs/dbraw/zinc/46/18/42/900461842.db2.gz SGVIZEYNHIHGRK-YLJYHZDGSA-N 1 1 410.518 4.056 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486822813 901876565 /nfs/dbraw/zinc/87/65/65/901876565.db2.gz OVXIZXYSBXZSMI-PRCFCKQXSA-N 1 1 419.485 4.463 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000505925246 914573663 /nfs/dbraw/zinc/57/36/63/914573663.db2.gz QFYSKWZTFOUJAR-OKZBNKHCSA-N 1 1 405.564 4.188 20 5 HIBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486835685 901886643 /nfs/dbraw/zinc/88/66/43/901886643.db2.gz SDYHDMZFLNZNRI-JLTOFOAXSA-N 1 1 402.882 4.137 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486913810 901960506 /nfs/dbraw/zinc/96/05/06/901960506.db2.gz WWKXNRFLECWMIR-MOPGFXCFSA-N 1 1 404.417 4.219 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486913810 901960515 /nfs/dbraw/zinc/96/05/15/901960515.db2.gz WWKXNRFLECWMIR-MOPGFXCFSA-N 1 1 404.417 4.219 20 5 HIBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488150077 902643321 /nfs/dbraw/zinc/64/33/21/902643321.db2.gz ZMXSVZTZELBMLV-MJGOQNOKSA-N 1 1 411.527 4.445 20 5 HIBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000488940878 903088178 /nfs/dbraw/zinc/08/81/78/903088178.db2.gz JMANJBUILNQCBZ-INIZCTEOSA-N 1 1 411.527 4.493 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489585772 903480297 /nfs/dbraw/zinc/48/02/97/903480297.db2.gz QHQROXJLEAFGOH-AMZGXZFVSA-N 1 1 422.529 4.459 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl ZINC000490050653 903744490 /nfs/dbraw/zinc/74/44/90/903744490.db2.gz RAEYXCKKPHXNRE-UHFFFAOYSA-N 1 1 403.866 4.250 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490072344 903759035 /nfs/dbraw/zinc/75/90/35/903759035.db2.gz BHJSOVUNAWXFBI-JTQLQIEISA-N 1 1 402.398 4.058 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490072345 903759390 /nfs/dbraw/zinc/75/93/90/903759390.db2.gz BHJSOVUNAWXFBI-SNVBAGLBSA-N 1 1 402.398 4.058 20 5 HIBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490325706 903907250 /nfs/dbraw/zinc/90/72/50/903907250.db2.gz BZSXZXRKJOGFHM-AZUAARDMSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490325706 903907256 /nfs/dbraw/zinc/90/72/56/903907256.db2.gz BZSXZXRKJOGFHM-AZUAARDMSA-N 1 1 403.429 4.135 20 5 HIBDMO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490339559 903930140 /nfs/dbraw/zinc/93/01/40/903930140.db2.gz JMSODWUQOBMGTK-AWEZNQCLSA-N 1 1 422.428 4.245 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490540634 904085905 /nfs/dbraw/zinc/08/59/05/904085905.db2.gz HYCQRIMNFUXMDS-KRWDZBQOSA-N 1 1 421.444 4.324 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490540634 904085924 /nfs/dbraw/zinc/08/59/24/904085924.db2.gz HYCQRIMNFUXMDS-KRWDZBQOSA-N 1 1 421.444 4.324 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490540641 904086783 /nfs/dbraw/zinc/08/67/83/904086783.db2.gz HYCQRIMNFUXMDS-QGZVFWFLSA-N 1 1 421.444 4.324 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490540641 904086793 /nfs/dbraw/zinc/08/67/93/904086793.db2.gz HYCQRIMNFUXMDS-QGZVFWFLSA-N 1 1 421.444 4.324 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000491085082 904420501 /nfs/dbraw/zinc/42/05/01/904420501.db2.gz LWHYHVPOZXDTES-QGZVFWFLSA-N 1 1 413.543 4.443 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC000491089885 904421025 /nfs/dbraw/zinc/42/10/25/904421025.db2.gz ITSILHPYXWNCLO-INIZCTEOSA-N 1 1 400.454 4.076 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC000491089885 904421035 /nfs/dbraw/zinc/42/10/35/904421035.db2.gz ITSILHPYXWNCLO-INIZCTEOSA-N 1 1 400.454 4.076 20 5 HIBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000491288200 904518849 /nfs/dbraw/zinc/51/88/49/904518849.db2.gz DCOXQWBHQDUMPF-FQEVSTJZSA-N 1 1 422.529 4.011 20 5 HIBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)c2ccccc2)c1 ZINC000494026739 905368497 /nfs/dbraw/zinc/36/84/97/905368497.db2.gz DKIUYEPVMDNIML-QHCPKHFHSA-N 1 1 409.530 4.309 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)o2)cc1 ZINC000494501189 905793185 /nfs/dbraw/zinc/79/31/85/905793185.db2.gz CDCAMNQJEISVNL-FUHWJXTLSA-N 1 1 418.812 4.057 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)CSc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000512570922 921243129 /nfs/dbraw/zinc/24/31/29/921243129.db2.gz XDORDNOUNANDOU-MJGOQNOKSA-N 1 1 413.543 4.104 20 5 HIBDMO COc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512858821 921362100 /nfs/dbraw/zinc/36/21/00/921362100.db2.gz ZJUGXAWSQJUIIX-JOCHJYFZSA-N 1 1 422.485 4.157 20 5 HIBDMO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706352 908130634 /nfs/dbraw/zinc/13/06/34/908130634.db2.gz FYDMYFSQXNWOMZ-WIYYLYMNSA-N 1 1 422.529 4.179 20 5 HIBDMO COCCn1cc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 ZINC000500365346 909814887 /nfs/dbraw/zinc/81/48/87/909814887.db2.gz GYBYXGWFZNZFKD-UHFFFAOYSA-N 1 1 416.865 4.173 20 5 HIBDMO O=C(CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000501036037 910251549 /nfs/dbraw/zinc/25/15/49/910251549.db2.gz MLCMROYJYCJHJW-UHFFFAOYSA-N 1 1 422.460 4.202 20 5 HIBDMO Cc1c(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000502322792 911301601 /nfs/dbraw/zinc/30/16/01/911301601.db2.gz ABHQPORAZAYFTI-GOSISDBHSA-N 1 1 411.506 4.135 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506294829 914889958 /nfs/dbraw/zinc/88/99/58/914889958.db2.gz LHRWXYSQLIRCEY-UKRRQHHQSA-N 1 1 420.416 4.153 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474781 915073631 /nfs/dbraw/zinc/07/36/31/915073631.db2.gz POWCYSJCGABJFL-OALUTQOASA-N 1 1 412.534 4.379 20 5 HIBDMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000506475418 915078702 /nfs/dbraw/zinc/07/87/02/915078702.db2.gz WOYUQNCODZYXCX-UHFFFAOYSA-N 1 1 409.820 4.377 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000506552499 915197886 /nfs/dbraw/zinc/19/78/86/915197886.db2.gz JMYDGDFAEZXKRB-GOSISDBHSA-N 1 1 418.497 4.448 20 5 HIBDMO Cn1cc(C[N@@H+](C)Cc2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506787240 915512392 /nfs/dbraw/zinc/51/23/92/915512392.db2.gz BMPOCUBTDBAKRC-UHFFFAOYSA-N 1 1 415.291 4.390 20 5 HIBDMO O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507972696 916823320 /nfs/dbraw/zinc/82/33/20/916823320.db2.gz XZNMISZUWAFDBT-LJQANCHMSA-N 1 1 403.841 4.335 20 5 HIBDMO COc1cc(CNCC[N@@H+]2CCC[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508099008 916915032 /nfs/dbraw/zinc/91/50/32/916915032.db2.gz CUOVJCKQPFHHPW-SFHVURJKSA-N 1 1 413.518 4.004 20 5 HIBDMO COc1cc(CNCC[N@H+]2CCC[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508099008 916915047 /nfs/dbraw/zinc/91/50/47/916915047.db2.gz CUOVJCKQPFHHPW-SFHVURJKSA-N 1 1 413.518 4.004 20 5 HIBDMO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000509346896 918011839 /nfs/dbraw/zinc/01/18/39/918011839.db2.gz YOYCBOLMTADRTR-SFHVURJKSA-N 1 1 407.474 4.434 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000509561072 918210755 /nfs/dbraw/zinc/21/07/55/918210755.db2.gz ZTDIKSZDHNGPDB-OAHLLOKOSA-N 1 1 420.469 4.201 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000509561072 918210772 /nfs/dbraw/zinc/21/07/72/918210772.db2.gz ZTDIKSZDHNGPDB-OAHLLOKOSA-N 1 1 420.469 4.201 20 5 HIBDMO COc1cc(C[NH2+]Cc2cccc3c2OCO3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509600163 918250141 /nfs/dbraw/zinc/25/01/41/918250141.db2.gz IJIDKYIBGAYBOE-UHFFFAOYSA-N 1 1 422.437 4.201 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000509763164 918377123 /nfs/dbraw/zinc/37/71/23/918377123.db2.gz QISNAHJCHUEFRH-GHTZIAJQSA-N 1 1 410.518 4.350 20 5 HIBDMO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510456423 918912867 /nfs/dbraw/zinc/91/28/67/918912867.db2.gz DQTSMQDGZZCYPQ-UHFFFAOYSA-N 1 1 411.483 4.264 20 5 HIBDMO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510456423 918912877 /nfs/dbraw/zinc/91/28/77/918912877.db2.gz DQTSMQDGZZCYPQ-UHFFFAOYSA-N 1 1 411.483 4.264 20 5 HIBDMO Cn1cc(C[N@H+](C)Cc2csc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510663246 919103695 /nfs/dbraw/zinc/10/36/95/919103695.db2.gz FRGGEXGIGPMZRN-UHFFFAOYSA-N 1 1 421.320 4.451 20 5 HIBDMO Cn1cc(C[N@@H+](C)Cc2csc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510663246 919103707 /nfs/dbraw/zinc/10/37/07/919103707.db2.gz FRGGEXGIGPMZRN-UHFFFAOYSA-N 1 1 421.320 4.451 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H]4CCC[C@@H]43)o2)c(Br)c1 ZINC000510692255 919129676 /nfs/dbraw/zinc/12/96/76/919129676.db2.gz AKIXJCHEHCCJQD-WMZOPIPTSA-N 1 1 407.264 4.371 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H]4CCC[C@@H]43)o2)c(Br)c1 ZINC000510692255 919129687 /nfs/dbraw/zinc/12/96/87/919129687.db2.gz AKIXJCHEHCCJQD-WMZOPIPTSA-N 1 1 407.264 4.371 20 5 HIBDMO C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511104031 919710147 /nfs/dbraw/zinc/71/01/47/919710147.db2.gz FEXQUZQRLNTMIG-QHCPKHFHSA-N 1 1 423.538 4.427 20 5 HIBDMO NC(=O)c1ccc(C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c([N+](=O)[O-])c1 ZINC000511136703 919752331 /nfs/dbraw/zinc/75/23/31/919752331.db2.gz KDHIVDWPWKAPRU-UHFFFAOYSA-N 1 1 407.392 4.125 20 5 HIBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496259 920105693 /nfs/dbraw/zinc/10/56/93/920105693.db2.gz UGRDPPXTAOTBAF-RDJZCZTQSA-N 1 1 416.547 4.235 20 5 HIBDMO CC[N@H+](Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C[C@@H]1CCCO1 ZINC000511539497 920162134 /nfs/dbraw/zinc/16/21/34/920162134.db2.gz FCMZVTBOPWMVGX-FQEVSTJZSA-N 1 1 400.475 4.183 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000511801103 920495779 /nfs/dbraw/zinc/49/57/79/920495779.db2.gz FQXVUEJZDAGNIO-FQEVSTJZSA-N 1 1 415.921 4.208 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178784 920917405 /nfs/dbraw/zinc/91/74/05/920917405.db2.gz KIZPLCBUZXVFIF-RBUKOAKNSA-N 1 1 411.550 4.082 20 5 HIBDMO C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000515509248 923142692 /nfs/dbraw/zinc/14/26/92/923142692.db2.gz STCFSQWXSVEPMV-ROUUACIJSA-N 1 1 410.518 4.387 20 5 HIBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000515808695 923363754 /nfs/dbraw/zinc/36/37/54/923363754.db2.gz DBQWPVLCWVDDJV-LJQANCHMSA-N 1 1 412.877 4.296 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000516203693 923598351 /nfs/dbraw/zinc/59/83/51/923598351.db2.gz TYHABRYFVLDCIQ-SFHVURJKSA-N 1 1 413.478 4.110 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000516203693 923598358 /nfs/dbraw/zinc/59/83/58/923598358.db2.gz TYHABRYFVLDCIQ-SFHVURJKSA-N 1 1 413.478 4.110 20 5 HIBDMO C[N@@H+](Cc1ccccc1CNC(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000516552147 923792523 /nfs/dbraw/zinc/79/25/23/923792523.db2.gz IBTYQPWYGGYXSF-UHFFFAOYSA-N 1 1 410.518 4.359 20 5 HIBDMO CC(C)[C@H](C)[N@H+]1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000517556421 924263463 /nfs/dbraw/zinc/26/34/63/924263463.db2.gz OAXSVQJNVULQBZ-KSFYIVLOSA-N 1 1 408.502 4.172 20 5 HIBDMO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000518031237 926969182 /nfs/dbraw/zinc/96/91/82/926969182.db2.gz ARTKBDNMVIGBRM-QZTJIDSGSA-N 1 1 410.518 4.057 20 5 HIBDMO Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000518311759 927172735 /nfs/dbraw/zinc/17/27/35/927172735.db2.gz QWAIYWHEQKOANB-SFHVURJKSA-N 1 1 401.894 4.341 20 5 HIBDMO Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000518311759 927172750 /nfs/dbraw/zinc/17/27/50/927172750.db2.gz QWAIYWHEQKOANB-SFHVURJKSA-N 1 1 401.894 4.341 20 5 HIBDMO Cc1ccc([C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)[NH+]2CCCC2)cc1 ZINC000520203090 928386654 /nfs/dbraw/zinc/38/66/54/928386654.db2.gz GTPOXXBYLJLKED-LJQANCHMSA-N 1 1 405.445 4.431 20 5 HIBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000520226813 928399836 /nfs/dbraw/zinc/39/98/36/928399836.db2.gz RWQAEFVKKGVCMQ-ZDUSSCGKSA-N 1 1 405.907 4.176 20 5 HIBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000520226813 928399849 /nfs/dbraw/zinc/39/98/49/928399849.db2.gz RWQAEFVKKGVCMQ-ZDUSSCGKSA-N 1 1 405.907 4.176 20 5 HIBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000520660171 928706230 /nfs/dbraw/zinc/70/62/30/928706230.db2.gz IAPOZRDKGWPLKD-HNNXBMFYSA-N 1 1 405.882 4.246 20 5 HIBDMO CCC[C@@]1(CO)CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000521675462 929360988 /nfs/dbraw/zinc/36/09/88/929360988.db2.gz IVONOEXMEKHGGN-JTHBVZDNSA-N 1 1 411.502 4.068 20 5 HIBDMO CCC[C@@]1(CO)CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000521675462 929361001 /nfs/dbraw/zinc/36/10/01/929361001.db2.gz IVONOEXMEKHGGN-JTHBVZDNSA-N 1 1 411.502 4.068 20 5 HIBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000525094655 930031266 /nfs/dbraw/zinc/03/12/66/930031266.db2.gz VUUYJOHFSNUHOD-UHFFFAOYSA-N 1 1 413.861 4.403 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000525094655 930031279 /nfs/dbraw/zinc/03/12/79/930031279.db2.gz VUUYJOHFSNUHOD-UHFFFAOYSA-N 1 1 413.861 4.403 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355018 930192954 /nfs/dbraw/zinc/19/29/54/930192954.db2.gz QVEMNGDTSCAZKF-CTNGQTDRSA-N 1 1 416.566 4.214 20 5 HIBDMO COC[C@@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000530730131 930810700 /nfs/dbraw/zinc/81/07/00/930810700.db2.gz NEFPEXUVTGKLBZ-LJQANCHMSA-N 1 1 400.406 4.480 20 5 HIBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810990 931205202 /nfs/dbraw/zinc/20/52/02/931205202.db2.gz FNDZOVLMMRDKKV-KPZWWZAWSA-N 1 1 420.307 4.190 20 5 HIBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810990 931205214 /nfs/dbraw/zinc/20/52/14/931205214.db2.gz FNDZOVLMMRDKKV-KPZWWZAWSA-N 1 1 420.307 4.190 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cc(Br)ccc1F ZINC000532523669 931474146 /nfs/dbraw/zinc/47/41/46/931474146.db2.gz GEWDTHOJYPHYBJ-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000532577480 931536927 /nfs/dbraw/zinc/53/69/27/931536927.db2.gz JZPJZINUTZTEIC-SFHVURJKSA-N 1 1 402.882 4.090 20 5 HIBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000532577480 931536931 /nfs/dbraw/zinc/53/69/31/931536931.db2.gz JZPJZINUTZTEIC-SFHVURJKSA-N 1 1 402.882 4.090 20 5 HIBDMO Cc1cc(C[C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000532627421 931560233 /nfs/dbraw/zinc/56/02/33/931560233.db2.gz PYMKNLLOHBLISL-INIZCTEOSA-N 1 1 416.485 4.200 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCc4c(cnn4-c4ccccc4)C3)o2)c1 ZINC000532639856 931563473 /nfs/dbraw/zinc/56/34/73/931563473.db2.gz JDQMFMQDAAWJCF-UHFFFAOYSA-N 1 1 415.453 4.036 20 5 HIBDMO COc1ccc(NC(=O)C[N@@H+](C2CC2)C2CC(c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000532979442 931724792 /nfs/dbraw/zinc/72/47/92/931724792.db2.gz JNXKIVJWMAQTFO-UHFFFAOYSA-N 1 1 409.486 4.261 20 5 HIBDMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000533055826 931756258 /nfs/dbraw/zinc/75/62/58/931756258.db2.gz WQSUWRPQBSENAD-QFIPXVFZSA-N 1 1 409.417 4.060 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533346228 931843655 /nfs/dbraw/zinc/84/36/55/931843655.db2.gz MROFSGODDIIIET-CABCVRRESA-N 1 1 416.478 4.150 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533346228 931843659 /nfs/dbraw/zinc/84/36/59/931843659.db2.gz MROFSGODDIIIET-CABCVRRESA-N 1 1 416.478 4.150 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533346230 931843959 /nfs/dbraw/zinc/84/39/59/931843959.db2.gz MROFSGODDIIIET-HUUCEWRRSA-N 1 1 416.478 4.150 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533346230 931843961 /nfs/dbraw/zinc/84/39/61/931843961.db2.gz MROFSGODDIIIET-HUUCEWRRSA-N 1 1 416.478 4.150 20 5 HIBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533369252 931850700 /nfs/dbraw/zinc/85/07/00/931850700.db2.gz GYXBNIXCTQYQQT-INIZCTEOSA-N 1 1 412.421 4.042 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000533427470 931865860 /nfs/dbraw/zinc/86/58/60/931865860.db2.gz SWHPWJFYPZKCGQ-BTYIYWSLSA-N 1 1 415.515 4.111 20 5 HIBDMO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000533826220 932047272 /nfs/dbraw/zinc/04/72/72/932047272.db2.gz HDDMCKXQRAJXNX-LJQANCHMSA-N 1 1 417.853 4.031 20 5 HIBDMO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000533826218 932047290 /nfs/dbraw/zinc/04/72/90/932047290.db2.gz HDDMCKXQRAJXNX-IBGZPJMESA-N 1 1 417.853 4.031 20 5 HIBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000534133298 932295412 /nfs/dbraw/zinc/29/54/12/932295412.db2.gz DPYAYMIFADUDJN-NRFANRHFSA-N 1 1 409.873 4.210 20 5 HIBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000534133298 932295416 /nfs/dbraw/zinc/29/54/16/932295416.db2.gz DPYAYMIFADUDJN-NRFANRHFSA-N 1 1 409.873 4.210 20 5 HIBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000534225172 932344865 /nfs/dbraw/zinc/34/48/65/932344865.db2.gz AZNXZWSOLMSEBF-AUUYWEPGSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000534225172 932344871 /nfs/dbraw/zinc/34/48/71/932344871.db2.gz AZNXZWSOLMSEBF-AUUYWEPGSA-N 1 1 405.857 4.119 20 5 HIBDMO C[C@@H](NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000534257219 932368849 /nfs/dbraw/zinc/36/88/49/932368849.db2.gz PLIZUFBPDLGNSR-LJQANCHMSA-N 1 1 422.529 4.354 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000535373790 933099911 /nfs/dbraw/zinc/09/99/11/933099911.db2.gz YLMSZPTZVCTBMD-QGZVFWFLSA-N 1 1 420.513 4.309 20 5 HIBDMO O=C1CCCN1C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000562509645 945095468 /nfs/dbraw/zinc/09/54/68/945095468.db2.gz CQBMCOZXUHSJEA-GOSISDBHSA-N 1 1 407.392 4.067 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000562568513 945100325 /nfs/dbraw/zinc/10/03/25/945100325.db2.gz XSNTTZWFBKOYEV-UHFFFAOYSA-N 1 1 424.379 4.392 20 5 HIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000537631820 938341237 /nfs/dbraw/zinc/34/12/37/938341237.db2.gz YPESPRGFWWLKIV-UHFFFAOYSA-N 1 1 406.486 4.306 20 5 HIBDMO Cn1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537658959 938348519 /nfs/dbraw/zinc/34/85/19/938348519.db2.gz HYDJKIKSKCNPGQ-QHCPKHFHSA-N 1 1 420.513 4.219 20 5 HIBDMO COc1ccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537658767 938348651 /nfs/dbraw/zinc/34/86/51/938348651.db2.gz OZIMUAQTFOMPMK-NRFANRHFSA-N 1 1 402.491 4.021 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000537661229 938349174 /nfs/dbraw/zinc/34/91/74/938349174.db2.gz NKJRNOYAASQCHU-UHFFFAOYSA-N 1 1 418.497 4.450 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000538096872 938500986 /nfs/dbraw/zinc/50/09/86/938500986.db2.gz YEYQNBRMMHLYBX-PXNSSMCTSA-N 1 1 408.502 4.078 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c2c(c1)COCO2 ZINC000538176209 938536641 /nfs/dbraw/zinc/53/66/41/938536641.db2.gz SOQKKHJKKFVMAI-UHFFFAOYSA-N 1 1 405.248 4.003 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000538176166 938537126 /nfs/dbraw/zinc/53/71/26/938537126.db2.gz RYUOZQPVKKMWBG-LLVKDONJSA-N 1 1 418.425 4.286 20 5 HIBDMO CNC(=O)CC1CC[NH+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000538718874 938690195 /nfs/dbraw/zinc/69/01/95/938690195.db2.gz UEQZBCCOENYMDN-UHFFFAOYSA-N 1 1 413.543 4.403 20 5 HIBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538726471 938693266 /nfs/dbraw/zinc/69/32/66/938693266.db2.gz UDJOTCIMDSLKQF-VGSWGCGISA-N 1 1 406.486 4.183 20 5 HIBDMO CCOCCO[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538799857 938715569 /nfs/dbraw/zinc/71/55/69/938715569.db2.gz ZHIRTHQEZMGHIU-IBGZPJMESA-N 1 1 404.438 4.154 20 5 HIBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538799857 938715572 /nfs/dbraw/zinc/71/55/72/938715572.db2.gz ZHIRTHQEZMGHIU-IBGZPJMESA-N 1 1 404.438 4.154 20 5 HIBDMO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000563490783 945204928 /nfs/dbraw/zinc/20/49/28/945204928.db2.gz SMBBBWHGPZSYDL-UHFFFAOYSA-N 1 1 421.419 4.142 20 5 HIBDMO CC[N@@H+](CCC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000539097783 938802458 /nfs/dbraw/zinc/80/24/58/938802458.db2.gz YZXBJHXSHUHULZ-GOSISDBHSA-N 1 1 404.555 4.002 20 5 HIBDMO CC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539123851 938806552 /nfs/dbraw/zinc/80/65/52/938806552.db2.gz BQJONTMLBFJWLH-GHTZIAJQSA-N 1 1 419.884 4.190 20 5 HIBDMO CC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539123851 938806554 /nfs/dbraw/zinc/80/65/54/938806554.db2.gz BQJONTMLBFJWLH-GHTZIAJQSA-N 1 1 419.884 4.190 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000539296542 938835640 /nfs/dbraw/zinc/83/56/40/938835640.db2.gz CFQAHTBIDOKNCH-KRWDZBQOSA-N 1 1 403.504 4.255 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1Br ZINC000539325680 938841577 /nfs/dbraw/zinc/84/15/77/938841577.db2.gz XWXITVJYSOQROL-UHFFFAOYSA-N 1 1 406.280 4.129 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)cs2)c1 ZINC000539860298 938960089 /nfs/dbraw/zinc/96/00/89/938960089.db2.gz QDYMLXOJCPYWDN-HXUWFJFHSA-N 1 1 417.531 4.268 20 5 HIBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000540353122 939204201 /nfs/dbraw/zinc/20/42/01/939204201.db2.gz ZINOKIWAVMVDDH-CQSZACIVSA-N 1 1 406.442 4.449 20 5 HIBDMO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000540413814 939240159 /nfs/dbraw/zinc/24/01/59/939240159.db2.gz HMHUOIUEERYXKG-QGZVFWFLSA-N 1 1 405.882 4.233 20 5 HIBDMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1)C[C@@H]1CCCCO1 ZINC000540419559 939241990 /nfs/dbraw/zinc/24/19/90/939241990.db2.gz IVWNETOOSYUKLR-FQEVSTJZSA-N 1 1 412.490 4.022 20 5 HIBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nc1-c1ccccc1 ZINC000541005350 939429631 /nfs/dbraw/zinc/42/96/31/939429631.db2.gz QIJRYSMMKYUEKF-OAQYLSRUSA-N 1 1 418.497 4.226 20 5 HIBDMO COc1ccc(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541103979 939461442 /nfs/dbraw/zinc/46/14/42/939461442.db2.gz VJCRPNRQCDVGMD-WMZOPIPTSA-N 1 1 412.490 4.026 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541397079 939504855 /nfs/dbraw/zinc/50/48/55/939504855.db2.gz RQCGCQQXRRIYCP-UHFFFAOYSA-N 1 1 421.950 4.497 20 5 HIBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541597444 939563477 /nfs/dbraw/zinc/56/34/77/939563477.db2.gz DHZLWONNUQWEIM-FXAWDEMLSA-N 1 1 417.575 4.433 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541702955 939609551 /nfs/dbraw/zinc/60/95/51/939609551.db2.gz AVFHHORHIWQVCF-RXVVDRJESA-N 1 1 415.465 4.223 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)CC(C)C ZINC000541708708 939610995 /nfs/dbraw/zinc/61/09/95/939610995.db2.gz UGTVUJVVEOOXKM-QGZVFWFLSA-N 1 1 407.530 4.444 20 5 HIBDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542092973 939708088 /nfs/dbraw/zinc/70/80/88/939708088.db2.gz GZDBWAIYWSOSAT-AEFFLSMTSA-N 1 1 420.872 4.126 20 5 HIBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542092973 939708092 /nfs/dbraw/zinc/70/80/92/939708092.db2.gz GZDBWAIYWSOSAT-AEFFLSMTSA-N 1 1 420.872 4.126 20 5 HIBDMO C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542510347 939834801 /nfs/dbraw/zinc/83/48/01/939834801.db2.gz JMKHYVFGEMPHLV-BZUAXINKSA-N 1 1 415.465 4.085 20 5 HIBDMO C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542613327 939848559 /nfs/dbraw/zinc/84/85/59/939848559.db2.gz SVGQJGPUHYSRGX-IAGOWNOFSA-N 1 1 413.493 4.386 20 5 HIBDMO Cc1ccc([C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000542679070 939853607 /nfs/dbraw/zinc/85/36/07/939853607.db2.gz OWABCTFZPUAQHJ-JOCHJYFZSA-N 1 1 410.495 4.056 20 5 HIBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1C(F)(F)F ZINC000542865077 939864103 /nfs/dbraw/zinc/86/41/03/939864103.db2.gz YKEXNYFXCXPBKJ-QGZVFWFLSA-N 1 1 409.408 4.182 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000542918027 939877376 /nfs/dbraw/zinc/87/73/76/939877376.db2.gz VBPVRRQOIXUOPO-WMZOPIPTSA-N 1 1 406.523 4.277 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000542918026 939877513 /nfs/dbraw/zinc/87/75/13/939877513.db2.gz VBPVRRQOIXUOPO-SJLPKXTDSA-N 1 1 406.523 4.277 20 5 HIBDMO CN(C(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000543052942 939910558 /nfs/dbraw/zinc/91/05/58/939910558.db2.gz RKRGDNCSABBXJZ-NRFANRHFSA-N 1 1 424.888 4.180 20 5 HIBDMO C/C(=C/c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000543117513 939954313 /nfs/dbraw/zinc/95/43/13/939954313.db2.gz JVEVSQQIIVCYRP-PEZBUJJGSA-N 1 1 406.442 4.038 20 5 HIBDMO C[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543524506 940095769 /nfs/dbraw/zinc/09/57/69/940095769.db2.gz VBEBSLROUMJEDE-QGZVFWFLSA-N 1 1 413.493 4.208 20 5 HIBDMO C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543537568 940098003 /nfs/dbraw/zinc/09/80/03/940098003.db2.gz AZGAEARMLFAUGM-SJORKVTESA-N 1 1 413.493 4.386 20 5 HIBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560278 940108742 /nfs/dbraw/zinc/10/87/42/940108742.db2.gz ZRBRHENBKUAAMQ-PKOBYXMFSA-N 1 1 412.421 4.136 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000543618562 940134678 /nfs/dbraw/zinc/13/46/78/940134678.db2.gz QWQOGLUVOFYZML-UHFFFAOYSA-N 1 1 419.572 4.157 20 5 HIBDMO CC(=O)NC1CCC([N@H+](C)Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000544348817 940397001 /nfs/dbraw/zinc/39/70/01/940397001.db2.gz QCGIZDRUFUKWLP-UHFFFAOYSA-N 1 1 410.518 4.242 20 5 HIBDMO Cc1c(Br)c(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000544396288 940411353 /nfs/dbraw/zinc/41/13/53/940411353.db2.gz YEKURWYSNHIXGA-HIFRSBDPSA-N 1 1 411.344 4.152 20 5 HIBDMO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cccc(F)c2)no1 ZINC000544520622 940470536 /nfs/dbraw/zinc/47/05/36/940470536.db2.gz WHGDDLJLDBXDQA-CYBMUJFWSA-N 1 1 423.404 4.332 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626252 940493429 /nfs/dbraw/zinc/49/34/29/940493429.db2.gz OEWGPVLEWLFTKT-PKOBYXMFSA-N 1 1 404.438 4.103 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000546976974 940934291 /nfs/dbraw/zinc/93/42/91/940934291.db2.gz LQBOJCHCIWQMRS-UHFFFAOYSA-N 1 1 405.564 4.433 20 5 HIBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000549147073 941165451 /nfs/dbraw/zinc/16/54/51/941165451.db2.gz FLGRGCHWQZJATB-IBGZPJMESA-N 1 1 410.518 4.103 20 5 HIBDMO Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549171870 941168122 /nfs/dbraw/zinc/16/81/22/941168122.db2.gz NUPQFLHBMQZDAJ-INIZCTEOSA-N 1 1 409.408 4.101 20 5 HIBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549694563 941204867 /nfs/dbraw/zinc/20/48/67/941204867.db2.gz UMZCNOAGISKCAJ-GFCCVEGCSA-N 1 1 416.421 4.258 20 5 HIBDMO COC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(F)c1 ZINC000549710713 941205403 /nfs/dbraw/zinc/20/54/03/941205403.db2.gz BEYKORINVMIVOP-GOSISDBHSA-N 1 1 414.355 4.321 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549942197 941243818 /nfs/dbraw/zinc/24/38/18/941243818.db2.gz RAWVJFVSSBICFB-ZFWWWQNUSA-N 1 1 407.392 4.179 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882159 941378809 /nfs/dbraw/zinc/37/88/09/941378809.db2.gz IZVULVANSXMVAC-IFMALSPDSA-N 1 1 423.557 4.483 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882159 941378813 /nfs/dbraw/zinc/37/88/13/941378813.db2.gz IZVULVANSXMVAC-IFMALSPDSA-N 1 1 423.557 4.483 20 5 HIBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000551039944 941399348 /nfs/dbraw/zinc/39/93/48/941399348.db2.gz QIRVPZYWGODMCQ-UXLLHSPISA-N 1 1 414.449 4.110 20 5 HIBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000552064096 941577716 /nfs/dbraw/zinc/57/77/16/941577716.db2.gz XJSTXDYETYBYPJ-IFXJQAMLSA-N 1 1 400.866 4.128 20 5 HIBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000553991134 942014726 /nfs/dbraw/zinc/01/47/26/942014726.db2.gz MRVRKSCYQXWCJP-SFHVURJKSA-N 1 1 401.463 4.024 20 5 HIBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)C1 ZINC000554142193 942048005 /nfs/dbraw/zinc/04/80/05/942048005.db2.gz JBXIUFHTDZARJO-OAQYLSRUSA-N 1 1 403.548 4.045 20 5 HIBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)C1 ZINC000554142192 942048453 /nfs/dbraw/zinc/04/84/53/942048453.db2.gz JBXIUFHTDZARJO-NRFANRHFSA-N 1 1 403.548 4.045 20 5 HIBDMO Cc1c(Cc2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)n2)cccc1[N+](=O)[O-] ZINC000554814637 942256442 /nfs/dbraw/zinc/25/64/42/942256442.db2.gz BQBROPFPVALTTN-HYBUGGRVSA-N 1 1 418.497 4.431 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000554878270 942304994 /nfs/dbraw/zinc/30/49/94/942304994.db2.gz IKYHMMVDDVWWBL-INIZCTEOSA-N 1 1 422.428 4.244 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000554878270 942305001 /nfs/dbraw/zinc/30/50/01/942305001.db2.gz IKYHMMVDDVWWBL-INIZCTEOSA-N 1 1 422.428 4.244 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556608686 942913873 /nfs/dbraw/zinc/91/38/73/942913873.db2.gz MYUWSSCGSIACBP-FPOVZHCZSA-N 1 1 412.486 4.326 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000556926056 942969151 /nfs/dbraw/zinc/96/91/51/942969151.db2.gz VIQPFFOLCMFETP-FQEVSTJZSA-N 1 1 423.435 4.498 20 5 HIBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000557482842 943158206 /nfs/dbraw/zinc/15/82/06/943158206.db2.gz BPPFVGPCMMONOA-UHFFFAOYSA-N 1 1 413.437 4.286 20 5 HIBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000557632149 943240069 /nfs/dbraw/zinc/24/00/69/943240069.db2.gz XLPRXHFZMFSAJO-NRFANRHFSA-N 1 1 409.515 4.092 20 5 HIBDMO O=[N+]([O-])c1cccc(Br)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000558464779 943566658 /nfs/dbraw/zinc/56/66/58/943566658.db2.gz USDBBGOFOUWDBL-MRXNPFEDSA-N 1 1 421.291 4.027 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558736216 943635125 /nfs/dbraw/zinc/63/51/25/943635125.db2.gz OQIUZLQXWXHJID-OQIJWPOYSA-N 1 1 409.486 4.341 20 5 HIBDMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000558892833 943725446 /nfs/dbraw/zinc/72/54/46/943725446.db2.gz LQYQGQYBSUFOEZ-UHFFFAOYSA-N 1 1 404.438 4.081 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000560207509 944196915 /nfs/dbraw/zinc/19/69/15/944196915.db2.gz LCGMLPHCQOFYKS-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000560207509 944196922 /nfs/dbraw/zinc/19/69/22/944196922.db2.gz LCGMLPHCQOFYKS-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO CSc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000560482160 944236811 /nfs/dbraw/zinc/23/68/11/944236811.db2.gz KQGWXTXECRKOLN-HNNXBMFYSA-N 1 1 419.572 4.281 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000560567014 944256073 /nfs/dbraw/zinc/25/60/73/944256073.db2.gz PAHBZAJCBQRFJY-FQEVSTJZSA-N 1 1 416.449 4.296 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cs2)c1 ZINC000560680599 944292367 /nfs/dbraw/zinc/29/23/67/944292367.db2.gz LMTDSIRRTCEALG-HNNXBMFYSA-N 1 1 410.503 4.093 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cs2)c1 ZINC000560680599 944292377 /nfs/dbraw/zinc/29/23/77/944292377.db2.gz LMTDSIRRTCEALG-HNNXBMFYSA-N 1 1 410.503 4.093 20 5 HIBDMO Cc1nn(C)c(NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000561345094 944557695 /nfs/dbraw/zinc/55/76/95/944557695.db2.gz KKDPTPPREAUVFF-CQSZACIVSA-N 1 1 419.835 4.328 20 5 HIBDMO C[N@H+](CCC(F)(F)F)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000561344881 944558150 /nfs/dbraw/zinc/55/81/50/944558150.db2.gz AXEPPZBLTGZNJY-AWEZNQCLSA-N 1 1 403.792 4.076 20 5 HIBDMO C[N@@H+](CCC(F)(F)F)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000561344881 944558154 /nfs/dbraw/zinc/55/81/54/944558154.db2.gz AXEPPZBLTGZNJY-AWEZNQCLSA-N 1 1 403.792 4.076 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000561592672 944693579 /nfs/dbraw/zinc/69/35/79/944693579.db2.gz PKTRCUNKYZECBR-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000561592672 944693597 /nfs/dbraw/zinc/69/35/97/944693597.db2.gz PKTRCUNKYZECBR-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1c1ccccc1Cl ZINC000564336841 945518432 /nfs/dbraw/zinc/51/84/32/945518432.db2.gz BSKVPYDWEGOPLJ-KRWDZBQOSA-N 1 1 411.845 4.403 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000564390392 945549689 /nfs/dbraw/zinc/54/96/89/945549689.db2.gz QAXMOAVKJVEBLS-INIZCTEOSA-N 1 1 424.339 4.132 20 5 HIBDMO Cc1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(N2CCCC2)n1 ZINC000565110444 945775547 /nfs/dbraw/zinc/77/55/47/945775547.db2.gz DBMPJDSKOJVNPK-UHFFFAOYSA-N 1 1 409.515 4.312 20 5 HIBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000568523055 946576876 /nfs/dbraw/zinc/57/68/76/946576876.db2.gz PBFDZVPKXKEDIW-JOCHJYFZSA-N 1 1 409.511 4.036 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000568523055 946576892 /nfs/dbraw/zinc/57/68/92/946576892.db2.gz PBFDZVPKXKEDIW-JOCHJYFZSA-N 1 1 409.511 4.036 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000568558605 946593954 /nfs/dbraw/zinc/59/39/54/946593954.db2.gz XIMCMOKSKCMKET-LLVKDONJSA-N 1 1 410.243 4.094 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000569603912 946895618 /nfs/dbraw/zinc/89/56/18/946895618.db2.gz URKYTUWLHHCFOM-IBGZPJMESA-N 1 1 424.545 4.353 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000570135516 947113220 /nfs/dbraw/zinc/11/32/20/947113220.db2.gz RXRVRIJXNBEOQM-QGZVFWFLSA-N 1 1 400.454 4.158 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)s1 ZINC000571715510 947758716 /nfs/dbraw/zinc/75/87/16/947758716.db2.gz NDOJWOYRIQNPQB-SFHVURJKSA-N 1 1 415.559 4.484 20 5 HIBDMO COc1ccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c(OC)n1 ZINC000572413096 947896936 /nfs/dbraw/zinc/89/69/36/947896936.db2.gz NLDKSGHIOXYZPA-UHFFFAOYSA-N 1 1 408.458 4.065 20 5 HIBDMO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000573633066 948259153 /nfs/dbraw/zinc/25/91/53/948259153.db2.gz XXFWSMPUKFPWHF-AAIMPIBUSA-N 1 1 419.529 4.060 20 5 HIBDMO CC(=O)NCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCSCC1 ZINC000574342198 948417393 /nfs/dbraw/zinc/41/73/93/948417393.db2.gz LVJXHTORTQKPEV-UHFFFAOYSA-N 1 1 419.572 4.157 20 5 HIBDMO O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164619228 719056311 /nfs/dbraw/zinc/05/63/11/719056311.db2.gz CBNROVCGSUFVBK-YJBOKZPZSA-N 1 1 422.863 4.289 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629158 719068499 /nfs/dbraw/zinc/06/84/99/719068499.db2.gz WDDAILJYIXZUMD-RHSMWYFYSA-N 1 1 407.301 4.397 20 5 HIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618522 719074730 /nfs/dbraw/zinc/07/47/30/719074730.db2.gz AZJJVKYEHZFTDL-ZBFHGGJFSA-N 1 1 407.301 4.397 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC3)cs1 ZINC001164693067 719807371 /nfs/dbraw/zinc/80/73/71/719807371.db2.gz POSZOWUNUPJBFS-UHFFFAOYSA-N 1 1 407.927 4.043 20 5 HIBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164706934 719905803 /nfs/dbraw/zinc/90/58/03/719905803.db2.gz LVARFYRRBTVDDX-UHFFFAOYSA-N 1 1 424.526 4.076 20 5 HIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165020545 721808504 /nfs/dbraw/zinc/80/85/04/721808504.db2.gz FYIRSWNVTBQURU-WDYCEAGBSA-N 1 1 415.925 4.084 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]21 ZINC001165027446 721809770 /nfs/dbraw/zinc/80/97/70/721809770.db2.gz UTEAEBVKYFBFAA-BULFRSBZSA-N 1 1 417.513 4.275 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001165030215 721830867 /nfs/dbraw/zinc/83/08/67/721830867.db2.gz YZQBACKQIMHRJJ-YFXJRYMSSA-N 1 1 417.513 4.275 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164951794 722015455 /nfs/dbraw/zinc/01/54/55/722015455.db2.gz DUHPIUNPONNUPR-UHFFFAOYSA-N 1 1 422.316 4.184 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000008169796 845483177 /nfs/dbraw/zinc/48/31/77/845483177.db2.gz ZCNGRRBDLFMWFL-GOSISDBHSA-N 1 1 410.518 4.201 20 5 HIBDMO Cc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000029384659 847556409 /nfs/dbraw/zinc/55/64/09/847556409.db2.gz NWOIOESSLVUXEF-UHFFFAOYSA-N 1 1 417.531 4.469 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)c1 ZINC000029833146 847628483 /nfs/dbraw/zinc/62/84/83/847628483.db2.gz HBCYKWZMAIVVMG-OAHLLOKOSA-N 1 1 405.414 4.166 20 5 HIBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133252 849435360 /nfs/dbraw/zinc/43/53/60/849435360.db2.gz RAZLPFVZWWUCQH-IIBYNOLFSA-N 1 1 417.893 4.286 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C2CC2)cc1 ZINC000052867098 849635708 /nfs/dbraw/zinc/63/57/08/849635708.db2.gz SKUNCUVWKTYMOM-OAHLLOKOSA-N 1 1 408.458 4.454 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000058295710 850794769 /nfs/dbraw/zinc/79/47/69/850794769.db2.gz FGQFWWATSYEJDW-LJQANCHMSA-N 1 1 424.545 4.478 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000058952299 850966826 /nfs/dbraw/zinc/96/68/26/850966826.db2.gz TYGZNCQQZQLKHK-KRWDZBQOSA-N 1 1 413.543 4.235 20 5 HIBDMO COc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000059410579 851005948 /nfs/dbraw/zinc/00/59/48/851005948.db2.gz UQZLZWYBQLDWFK-CALCHBBNSA-N 1 1 411.502 4.011 20 5 HIBDMO C[N@@H+](Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000059888497 851021808 /nfs/dbraw/zinc/02/18/08/851021808.db2.gz GKJNZKYNHNOURV-UHFFFAOYSA-N 1 1 411.502 4.055 20 5 HIBDMO CCOc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000060414214 851091729 /nfs/dbraw/zinc/09/17/29/851091729.db2.gz QMMBAJQLPGGKPY-QGZVFWFLSA-N 1 1 411.502 4.155 20 5 HIBDMO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350353 851878002 /nfs/dbraw/zinc/87/80/02/851878002.db2.gz SPDWOLWRIFKOPN-UHFFFAOYSA-N 1 1 421.444 4.065 20 5 HIBDMO CC(C)[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350353 851878004 /nfs/dbraw/zinc/87/80/04/851878004.db2.gz SPDWOLWRIFKOPN-UHFFFAOYSA-N 1 1 421.444 4.065 20 5 HIBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000437119419 862306755 /nfs/dbraw/zinc/30/67/55/862306755.db2.gz YSJKPXNRXJXBQE-OAHLLOKOSA-N 1 1 417.893 4.454 20 5 HIBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000437119418 862307670 /nfs/dbraw/zinc/30/76/70/862307670.db2.gz YSJKPXNRXJXBQE-HNNXBMFYSA-N 1 1 417.893 4.454 20 5 HIBDMO C[N@@H+](CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000065096929 852062706 /nfs/dbraw/zinc/06/27/06/852062706.db2.gz MCODKSKKQTWVBY-UHFFFAOYSA-N 1 1 402.520 4.103 20 5 HIBDMO O=C(c1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000065202014 852085875 /nfs/dbraw/zinc/08/58/75/852085875.db2.gz DNUJUQDYBVBAQA-FQEVSTJZSA-N 1 1 422.529 4.155 20 5 HIBDMO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000109531736 852980962 /nfs/dbraw/zinc/98/09/62/852980962.db2.gz YDYXMPGMYZNZGA-SFHVURJKSA-N 1 1 411.355 4.127 20 5 HIBDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000116205084 853292079 /nfs/dbraw/zinc/29/20/79/853292079.db2.gz VPIFGFHKPIQWKX-UHFFFAOYSA-N 1 1 403.504 4.094 20 5 HIBDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1SC ZINC000116205096 853292618 /nfs/dbraw/zinc/29/26/18/853292618.db2.gz IZJBBAWGACULEV-UHFFFAOYSA-N 1 1 403.504 4.094 20 5 HIBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000147708583 853593119 /nfs/dbraw/zinc/59/31/19/853593119.db2.gz KQPFTYQIWCPDCP-CYBMUJFWSA-N 1 1 408.911 4.343 20 5 HIBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000150248851 853641633 /nfs/dbraw/zinc/64/16/33/853641633.db2.gz XKNRGRAPBKVMHI-FQEVSTJZSA-N 1 1 413.474 4.086 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1csc(Br)c1 ZINC000166083130 853653662 /nfs/dbraw/zinc/65/36/62/853653662.db2.gz ZYCHRUCQZBANNN-UHFFFAOYSA-N 1 1 412.309 4.188 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCN(C4CC4)CC3)o2)c(Br)c1 ZINC000236569139 853899480 /nfs/dbraw/zinc/89/94/80/853899480.db2.gz FTTKNUSMMFYXLW-UHFFFAOYSA-N 1 1 420.307 4.334 20 5 HIBDMO CCC[N@@H+]1CC[C@@H](CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236816964 853926902 /nfs/dbraw/zinc/92/69/02/853926902.db2.gz ITIRUWOSARGFLP-IBGZPJMESA-N 1 1 419.529 4.269 20 5 HIBDMO CCC[N@H+]1CC[C@@H](CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236816964 853926906 /nfs/dbraw/zinc/92/69/06/853926906.db2.gz ITIRUWOSARGFLP-IBGZPJMESA-N 1 1 419.529 4.269 20 5 HIBDMO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236882763 853932148 /nfs/dbraw/zinc/93/21/48/853932148.db2.gz FWKRTXSUKIGWBF-VXGBXAGGSA-N 1 1 424.295 4.010 20 5 HIBDMO CCc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236981940 853946262 /nfs/dbraw/zinc/94/62/62/853946262.db2.gz YOIZTXUOWGGAOS-QHCPKHFHSA-N 1 1 424.522 4.440 20 5 HIBDMO C[N@H+]1CCC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237185477 853977292 /nfs/dbraw/zinc/97/72/92/853977292.db2.gz ZTPJDFAJTUWWTF-CYBMUJFWSA-N 1 1 408.296 4.049 20 5 HIBDMO CN1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237185477 853977306 /nfs/dbraw/zinc/97/73/06/853977306.db2.gz ZTPJDFAJTUWWTF-CYBMUJFWSA-N 1 1 408.296 4.049 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000237194504 853979564 /nfs/dbraw/zinc/97/95/64/853979564.db2.gz KFKYEWOAOJFVBC-GOSISDBHSA-N 1 1 406.866 4.104 20 5 HIBDMO Cc1ccc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] ZINC000237482061 854042361 /nfs/dbraw/zinc/04/23/61/854042361.db2.gz KZSGBKUPIXQDBV-GFCCVEGCSA-N 1 1 407.264 4.288 20 5 HIBDMO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NC(C)(C)C ZINC000237569407 854056478 /nfs/dbraw/zinc/05/64/78/854056478.db2.gz WEJRLKDHWWELJW-NSHDSACASA-N 1 1 424.295 4.010 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)cc2)C1 ZINC000301336398 854363915 /nfs/dbraw/zinc/36/39/15/854363915.db2.gz CZRPPZHQMISZFD-QGZVFWFLSA-N 1 1 424.501 4.395 20 5 HIBDMO C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)[C@@H]1c1cccs1 ZINC000301523904 854412268 /nfs/dbraw/zinc/41/22/68/854412268.db2.gz IDFKZTQHGGECDA-IAQYHMDHSA-N 1 1 411.325 4.309 20 5 HIBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@H+]1Cc1ccccc1 ZINC000301547990 854418130 /nfs/dbraw/zinc/41/81/30/854418130.db2.gz PTCYFLGNHCPGGI-SJLPKXTDSA-N 1 1 410.474 4.016 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000301603454 854428293 /nfs/dbraw/zinc/42/82/93/854428293.db2.gz XDPGXEJTCLLUHV-CXAGYDPISA-N 1 1 405.296 4.075 20 5 HIBDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437344738 862621258 /nfs/dbraw/zinc/62/12/58/862621258.db2.gz UBGGMXLKPHVDDV-IERDGZPVSA-N 1 1 404.532 4.291 20 5 HIBDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437344744 862621969 /nfs/dbraw/zinc/62/19/69/862621969.db2.gz UBGGMXLKPHVDDV-KKSFZXQISA-N 1 1 404.532 4.291 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000303754849 855175494 /nfs/dbraw/zinc/17/54/94/855175494.db2.gz MUBXLQSGHMTQAL-RDJZCZTQSA-N 1 1 401.894 4.373 20 5 HIBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311045076 855368873 /nfs/dbraw/zinc/36/88/73/855368873.db2.gz FSKSSNVCJRDVCD-UKRRQHHQSA-N 1 1 405.296 4.075 20 5 HIBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000428716247 857308331 /nfs/dbraw/zinc/30/83/31/857308331.db2.gz IIHKGNLEFPOSAF-UTKZUKDTSA-N 1 1 411.527 4.302 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429287944 857591677 /nfs/dbraw/zinc/59/16/77/857591677.db2.gz ADEXGCQFVOUXHD-UHFFFAOYSA-N 1 1 418.497 4.372 20 5 HIBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000430103490 858032821 /nfs/dbraw/zinc/03/28/21/858032821.db2.gz QBPJUWYWSVLZJQ-INIZCTEOSA-N 1 1 408.545 4.113 20 5 HIBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000430103490 858032826 /nfs/dbraw/zinc/03/28/26/858032826.db2.gz QBPJUWYWSVLZJQ-INIZCTEOSA-N 1 1 408.545 4.113 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000430192336 858075531 /nfs/dbraw/zinc/07/55/31/858075531.db2.gz BMIFSOBVKGOKQG-UHFFFAOYSA-N 1 1 408.401 4.378 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000430192336 858075539 /nfs/dbraw/zinc/07/55/39/858075539.db2.gz BMIFSOBVKGOKQG-UHFFFAOYSA-N 1 1 408.401 4.378 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430639458 858244881 /nfs/dbraw/zinc/24/48/81/858244881.db2.gz FRJCNZPGDUDHGK-JENIJYKNSA-N 1 1 413.543 4.245 20 5 HIBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000430864289 858342989 /nfs/dbraw/zinc/34/29/89/858342989.db2.gz JYDFNOPJSXXPRE-OXQOHEQNSA-N 1 1 411.527 4.302 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432019610 858932691 /nfs/dbraw/zinc/93/26/91/858932691.db2.gz LSTCNQHUYXTKJD-SFHVURJKSA-N 1 1 417.412 4.398 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432019610 858932695 /nfs/dbraw/zinc/93/26/95/858932695.db2.gz LSTCNQHUYXTKJD-SFHVURJKSA-N 1 1 417.412 4.398 20 5 HIBDMO CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CCCO1 ZINC000467566465 881389588 /nfs/dbraw/zinc/38/95/88/881389588.db2.gz WZYADEDRTOPERE-FQEVSTJZSA-N 1 1 400.475 4.183 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)nc2c1 ZINC000433133304 859533261 /nfs/dbraw/zinc/53/32/61/859533261.db2.gz YXGKPWXULOSXFB-UHFFFAOYSA-N 1 1 406.486 4.224 20 5 HIBDMO CC1(C)C[C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433282728 859614264 /nfs/dbraw/zinc/61/42/64/859614264.db2.gz NGCQVGOPTAWVAA-HSZRJFAPSA-N 1 1 409.530 4.064 20 5 HIBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000434325569 860287309 /nfs/dbraw/zinc/28/73/09/860287309.db2.gz JDUIJYPTAJLMLB-HXUWFJFHSA-N 1 1 419.485 4.107 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(CN3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000434832711 860512236 /nfs/dbraw/zinc/51/22/36/860512236.db2.gz SOKGBEXRBITXPV-UHFFFAOYSA-N 1 1 400.866 4.097 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(CN3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000434832711 860512242 /nfs/dbraw/zinc/51/22/42/860512242.db2.gz SOKGBEXRBITXPV-UHFFFAOYSA-N 1 1 400.866 4.097 20 5 HIBDMO Cn1nc(CCC[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1-c1ccc(F)cc1 ZINC000434833070 860512561 /nfs/dbraw/zinc/51/25/61/860512561.db2.gz UVLKJACXBUUVRG-UHFFFAOYSA-N 1 1 423.448 4.340 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000434855929 860524429 /nfs/dbraw/zinc/52/44/29/860524429.db2.gz POUQUOCMWULLIV-AWEZNQCLSA-N 1 1 423.404 4.305 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)nc2c1 ZINC000435028447 860605822 /nfs/dbraw/zinc/60/58/22/860605822.db2.gz UYOBPPSLGRZGKH-HSZRJFAPSA-N 1 1 406.486 4.224 20 5 HIBDMO COc1cc(C[N@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435041680 860612331 /nfs/dbraw/zinc/61/23/31/860612331.db2.gz RBOANAGLACFGTO-UHFFFAOYSA-N 1 1 408.442 4.262 20 5 HIBDMO CCc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435381617 860777669 /nfs/dbraw/zinc/77/76/69/860777669.db2.gz VBNDCPVFEXKJJU-FQEVSTJZSA-N 1 1 419.485 4.053 20 5 HIBDMO COc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000435875019 861134773 /nfs/dbraw/zinc/13/47/73/861134773.db2.gz PUYRSCRGBTXQRN-KRWDZBQOSA-N 1 1 417.893 4.041 20 5 HIBDMO COc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000435875019 861134780 /nfs/dbraw/zinc/13/47/80/861134780.db2.gz PUYRSCRGBTXQRN-KRWDZBQOSA-N 1 1 417.893 4.041 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437999005 863361087 /nfs/dbraw/zinc/36/10/87/863361087.db2.gz NSKMAJRXMMMBOC-GCJKJVERSA-N 1 1 422.529 4.179 20 5 HIBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000438528064 863953142 /nfs/dbraw/zinc/95/31/42/863953142.db2.gz LKGYWCGXIYMZBT-HSZRJFAPSA-N 1 1 421.522 4.310 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000439906485 865216141 /nfs/dbraw/zinc/21/61/41/865216141.db2.gz YPEIRARKUSUGIR-QGZVFWFLSA-N 1 1 412.490 4.122 20 5 HIBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441071050 866160276 /nfs/dbraw/zinc/16/02/76/866160276.db2.gz PXZLWYJMMKSYNN-LBPRGKRZSA-N 1 1 401.410 4.329 20 5 HIBDMO C[C@@H](OC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441256880 866331064 /nfs/dbraw/zinc/33/10/64/866331064.db2.gz ANMSANZZOVISGC-FOIQADDNSA-N 1 1 404.894 4.351 20 5 HIBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441266095 866340573 /nfs/dbraw/zinc/34/05/73/866340573.db2.gz UKIPWWWNEVZQQX-SGTLLEGYSA-N 1 1 407.392 4.296 20 5 HIBDMO Cc1ccccc1-c1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)s1 ZINC000441532194 866607640 /nfs/dbraw/zinc/60/76/40/866607640.db2.gz GICCPXDSOYXTJM-GOSISDBHSA-N 1 1 414.531 4.100 20 5 HIBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000442635700 867579372 /nfs/dbraw/zinc/57/93/72/867579372.db2.gz QIVOGUFZGCFETG-AEFFLSMTSA-N 1 1 411.527 4.302 20 5 HIBDMO C[N@H+](Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)[C@@H]1CCSC1 ZINC000443208174 867876552 /nfs/dbraw/zinc/87/65/52/867876552.db2.gz NIEVAQMQRLEJAP-MRXNPFEDSA-N 1 1 412.471 4.374 20 5 HIBDMO C[N@@H+](Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)[C@@H]1CCSC1 ZINC000443208174 867876556 /nfs/dbraw/zinc/87/65/56/867876556.db2.gz NIEVAQMQRLEJAP-MRXNPFEDSA-N 1 1 412.471 4.374 20 5 HIBDMO C[N@H+](Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)[C@H]1CCSC1 ZINC000443208173 867876636 /nfs/dbraw/zinc/87/66/36/867876636.db2.gz NIEVAQMQRLEJAP-INIZCTEOSA-N 1 1 412.471 4.374 20 5 HIBDMO C[N@@H+](Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)[C@H]1CCSC1 ZINC000443208173 867876642 /nfs/dbraw/zinc/87/66/42/867876642.db2.gz NIEVAQMQRLEJAP-INIZCTEOSA-N 1 1 412.471 4.374 20 5 HIBDMO C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443221774 867880523 /nfs/dbraw/zinc/88/05/23/867880523.db2.gz HHIQKJISSGUATO-TUAOUCFPSA-N 1 1 409.284 4.265 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)n2)c1 ZINC000443641480 868224925 /nfs/dbraw/zinc/22/49/25/868224925.db2.gz PTVIFCASXZHSTH-CQSZACIVSA-N 1 1 423.404 4.305 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)n2)c1 ZINC000443641480 868224945 /nfs/dbraw/zinc/22/49/45/868224945.db2.gz PTVIFCASXZHSTH-CQSZACIVSA-N 1 1 423.404 4.305 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443658051 868259642 /nfs/dbraw/zinc/25/96/42/868259642.db2.gz NDXBIYNLWHLAIH-MRXNPFEDSA-N 1 1 403.866 4.039 20 5 HIBDMO CC1CCC([NH+]2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)CC1 ZINC000444032987 868567742 /nfs/dbraw/zinc/56/77/42/868567742.db2.gz QQWRILBCXSSSTM-UHFFFAOYSA-N 1 1 403.526 4.018 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000444675177 868952276 /nfs/dbraw/zinc/95/22/76/868952276.db2.gz LTUHHZJVASTEAU-RYUDHWBXSA-N 1 1 403.389 4.017 20 5 HIBDMO Cc1cccc2nc(C3CC[NH+](Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)CC3)oc21 ZINC000444769563 868993972 /nfs/dbraw/zinc/99/39/72/868993972.db2.gz ALSWJGZYTCEPAY-UHFFFAOYSA-N 1 1 419.441 4.474 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000446487794 870400536 /nfs/dbraw/zinc/40/05/36/870400536.db2.gz FUKJVFFPWITKEX-SIKLNZKXSA-N 1 1 408.502 4.422 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000446838043 870756398 /nfs/dbraw/zinc/75/63/98/870756398.db2.gz DLCRRKAUACYAIC-LJQANCHMSA-N 1 1 405.502 4.476 20 5 HIBDMO COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OCc1ccccc1 ZINC000446840217 870758219 /nfs/dbraw/zinc/75/82/19/870758219.db2.gz FCPOAYGDVPJQID-UHFFFAOYSA-N 1 1 418.453 4.349 20 5 HIBDMO CCOc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OCC(F)(F)F ZINC000446843521 870762101 /nfs/dbraw/zinc/76/21/01/870762101.db2.gz OAGUNAYVOWACMR-UHFFFAOYSA-N 1 1 424.379 4.101 20 5 HIBDMO Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000447556723 871443735 /nfs/dbraw/zinc/44/37/35/871443735.db2.gz HGTPFPVXNSYGHT-JOCHJYFZSA-N 1 1 410.495 4.186 20 5 HIBDMO CCc1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000447664831 871595586 /nfs/dbraw/zinc/59/55/86/871595586.db2.gz AJXCHXMEEIGVKL-UHFFFAOYSA-N 1 1 419.485 4.365 20 5 HIBDMO CCCn1cc[nH+]c1CCCN(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447679490 871611256 /nfs/dbraw/zinc/61/12/56/871611256.db2.gz KNKVWFZTXRRVHK-UHFFFAOYSA-N 1 1 421.370 4.319 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000460494827 873179705 /nfs/dbraw/zinc/17/97/05/873179705.db2.gz ZCCRDVHKFRKQIC-BWAGFHJFSA-N 1 1 422.529 4.128 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000460494829 873179940 /nfs/dbraw/zinc/17/99/40/873179940.db2.gz ZCCRDVHKFRKQIC-VLCRHTCISA-N 1 1 422.529 4.128 20 5 HIBDMO CC(C)c1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461433610 874482628 /nfs/dbraw/zinc/48/26/28/874482628.db2.gz WUXUEEVLAGTEAK-RTWAWAEBSA-N 1 1 407.514 4.312 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000461470550 874525913 /nfs/dbraw/zinc/52/59/13/874525913.db2.gz HFYOVUNPQVYHSX-QGZVFWFLSA-N 1 1 401.894 4.280 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462614410 875726128 /nfs/dbraw/zinc/72/61/28/875726128.db2.gz MCCJQOCRAMPOKF-BWAGFHJFSA-N 1 1 409.530 4.190 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462614412 875726777 /nfs/dbraw/zinc/72/67/77/875726777.db2.gz MCCJQOCRAMPOKF-STZQEDGTSA-N 1 1 409.530 4.190 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000462630590 875741103 /nfs/dbraw/zinc/74/11/03/875741103.db2.gz ZOFVDMBSTAXRIE-OAHLLOKOSA-N 1 1 402.520 4.025 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000462630590 875741110 /nfs/dbraw/zinc/74/11/10/875741110.db2.gz ZOFVDMBSTAXRIE-OAHLLOKOSA-N 1 1 402.520 4.025 20 5 HIBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000462859173 875892923 /nfs/dbraw/zinc/89/29/23/875892923.db2.gz CJPBAHQWWQZNNP-YLJYHZDGSA-N 1 1 410.518 4.322 20 5 HIBDMO COc1ccc(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462873889 875904295 /nfs/dbraw/zinc/90/42/95/875904295.db2.gz JZEIMFBDBFLBTM-FQEVSTJZSA-N 1 1 400.475 4.182 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1cccs1 ZINC000462882207 875910616 /nfs/dbraw/zinc/91/06/16/875910616.db2.gz SDQYKTBISBQXSO-VBKZILBWSA-N 1 1 400.504 4.036 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)o1 ZINC000503241492 912220644 /nfs/dbraw/zinc/22/06/44/912220644.db2.gz AZDBKGAVUNBVLJ-QGZVFWFLSA-N 1 1 417.259 4.441 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732518 877969693 /nfs/dbraw/zinc/96/96/93/877969693.db2.gz HKSVKILURLTFTM-HOCLYGCPSA-N 1 1 401.429 4.169 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464768059 878009393 /nfs/dbraw/zinc/00/93/93/878009393.db2.gz HKKGHNGCCUDAPX-MRXNPFEDSA-N 1 1 415.515 4.046 20 5 HIBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464768713 878009923 /nfs/dbraw/zinc/00/99/23/878009923.db2.gz YXJVXPFRCKYHDN-MRXNPFEDSA-N 1 1 415.515 4.046 20 5 HIBDMO Cc1ccc([C@H](NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C2CC2)cc1 ZINC000464771318 878015036 /nfs/dbraw/zinc/01/50/36/878015036.db2.gz DDRWGIAFCVACOG-DEOSSOPVSA-N 1 1 423.513 4.014 20 5 HIBDMO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000464784200 878029567 /nfs/dbraw/zinc/02/95/67/878029567.db2.gz CMDSHXCWUJWDMB-GOSISDBHSA-N 1 1 411.502 4.390 20 5 HIBDMO C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000464839725 878104354 /nfs/dbraw/zinc/10/43/54/878104354.db2.gz RFJWLQPLBUHWHP-LJQANCHMSA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1Cc1ccccc1 ZINC000464839725 878104377 /nfs/dbraw/zinc/10/43/77/878104377.db2.gz RFJWLQPLBUHWHP-LJQANCHMSA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1Cc1ccccc1 ZINC000464839725 878104408 /nfs/dbraw/zinc/10/44/08/878104408.db2.gz RFJWLQPLBUHWHP-LJQANCHMSA-N 1 1 420.513 4.389 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000503495399 912543579 /nfs/dbraw/zinc/54/35/79/912543579.db2.gz PIBGUJHRYZREON-GOSISDBHSA-N 1 1 417.893 4.081 20 5 HIBDMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CCO2 ZINC000466445814 880222054 /nfs/dbraw/zinc/22/20/54/880222054.db2.gz KGSJCPLDCQFFNV-IBGZPJMESA-N 1 1 410.426 4.485 20 5 HIBDMO C[N@H+](CC[C@@H]1CCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467153354 880889700 /nfs/dbraw/zinc/88/97/00/880889700.db2.gz AYQSFVLCBFJEQZ-FXAWDEMLSA-N 1 1 417.893 4.429 20 5 HIBDMO C[N@@H+](CC[C@@H]1CCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467153354 880889704 /nfs/dbraw/zinc/88/97/04/880889704.db2.gz AYQSFVLCBFJEQZ-FXAWDEMLSA-N 1 1 417.893 4.429 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1cccs1 ZINC000467220900 880950400 /nfs/dbraw/zinc/95/04/00/880950400.db2.gz YCJSZDNGHZBOGL-KDOFPFPSSA-N 1 1 422.938 4.192 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Cc4ccc(F)c(F)c4)CC3)o2)cc1 ZINC000469448276 883648401 /nfs/dbraw/zinc/64/84/01/883648401.db2.gz MXJWAJZBXMTMGL-UHFFFAOYSA-N 1 1 414.412 4.378 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469459955 883670175 /nfs/dbraw/zinc/67/01/75/883670175.db2.gz ZXIVGTSCKBRIPM-JSGCOSHPSA-N 1 1 400.385 4.474 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469459955 883670176 /nfs/dbraw/zinc/67/01/76/883670176.db2.gz ZXIVGTSCKBRIPM-JSGCOSHPSA-N 1 1 400.385 4.474 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000470177825 884461221 /nfs/dbraw/zinc/46/12/21/884461221.db2.gz UOYZYOZSJGWYJD-SAPNQHFASA-N 1 1 413.905 4.500 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000470177825 884461231 /nfs/dbraw/zinc/46/12/31/884461231.db2.gz UOYZYOZSJGWYJD-SAPNQHFASA-N 1 1 413.905 4.500 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000470403461 884808133 /nfs/dbraw/zinc/80/81/33/884808133.db2.gz JZGFMUOBUQQKNK-UHFFFAOYSA-N 1 1 424.482 4.105 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000471058332 885572797 /nfs/dbraw/zinc/57/27/97/885572797.db2.gz YYGZPASKCZAZDX-PKOBYXMFSA-N 1 1 411.502 4.024 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C2CC2)c1 ZINC000471952395 886759073 /nfs/dbraw/zinc/75/90/73/886759073.db2.gz GQWACNSYRZZEGU-TZIWHRDSSA-N 1 1 410.474 4.011 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C2CC2)c1 ZINC000471952394 886760543 /nfs/dbraw/zinc/76/05/43/886760543.db2.gz GQWACNSYRZZEGU-PZJWPPBQSA-N 1 1 410.474 4.011 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)cccc1[N+](=O)[O-] ZINC000472636520 887500858 /nfs/dbraw/zinc/50/08/58/887500858.db2.gz PSGZMMDRHAIPFM-HSZRJFAPSA-N 1 1 409.486 4.202 20 5 HIBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473690364 888464154 /nfs/dbraw/zinc/46/41/54/888464154.db2.gz ORZFXKZCRLHUMU-QFBILLFUSA-N 1 1 412.490 4.293 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000474367662 889246319 /nfs/dbraw/zinc/24/63/19/889246319.db2.gz DYBUDYDLTJBQAP-NSHDSACASA-N 1 1 413.257 4.304 20 5 HIBDMO COc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270343 890166672 /nfs/dbraw/zinc/16/66/72/890166672.db2.gz RXRXFZNFWHMKPH-HJPURHCSSA-N 1 1 412.486 4.182 20 5 HIBDMO COc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270343 890166690 /nfs/dbraw/zinc/16/66/90/890166690.db2.gz RXRXFZNFWHMKPH-HJPURHCSSA-N 1 1 412.486 4.182 20 5 HIBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475469080 890377285 /nfs/dbraw/zinc/37/72/85/890377285.db2.gz PONNZZQEUMVWBP-LJQANCHMSA-N 1 1 411.502 4.120 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000475564632 890493884 /nfs/dbraw/zinc/49/38/84/890493884.db2.gz NBIWFSYPHQVXEJ-UGKGYDQZSA-N 1 1 424.501 4.320 20 5 HIBDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000475565465 890496055 /nfs/dbraw/zinc/49/60/55/890496055.db2.gz PUUKCBQLOJQQMZ-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066020 891999459 /nfs/dbraw/zinc/99/94/59/891999459.db2.gz MTFDOEGCOZCPGW-WNNBVUDTSA-N 1 1 413.499 4.223 20 5 HIBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000477290295 892249817 /nfs/dbraw/zinc/24/98/17/892249817.db2.gz OLTPZXSRGCGKFX-GOSISDBHSA-N 1 1 404.555 4.415 20 5 HIBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505329633 913993956 /nfs/dbraw/zinc/99/39/56/913993956.db2.gz FBYVNRJAKBNPOL-LJQANCHMSA-N 1 1 416.522 4.342 20 5 HIBDMO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000481545918 896908329 /nfs/dbraw/zinc/90/83/29/896908329.db2.gz RUSJYFXKQLAYJM-SGTLLEGYSA-N 1 1 402.838 4.164 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481614478 896996146 /nfs/dbraw/zinc/99/61/46/896996146.db2.gz LEUHIEYOPXQDNR-UHFFFAOYSA-N 1 1 402.466 4.091 20 5 HIBDMO CCc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481875680 897248060 /nfs/dbraw/zinc/24/80/60/897248060.db2.gz QGJPRVHTKZIRAT-YADHBBJMSA-N 1 1 407.514 4.284 20 5 HIBDMO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482281417 897774374 /nfs/dbraw/zinc/77/43/74/897774374.db2.gz DVUXMTWAMZZTEF-AVCGJXAMSA-N 1 1 422.529 4.352 20 5 HIBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)C1 ZINC000505517349 914206615 /nfs/dbraw/zinc/20/66/15/914206615.db2.gz YBYVIAULSFLKEM-QFIPXVFZSA-N 1 1 411.527 4.304 20 5 HIBDMO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCCOC2)O1 ZINC000482454489 898022288 /nfs/dbraw/zinc/02/22/88/898022288.db2.gz FAHLRILSJSMHSY-XOBRGWDASA-N 1 1 406.866 4.278 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCCOC2)O1 ZINC000482454489 898022302 /nfs/dbraw/zinc/02/23/02/898022302.db2.gz FAHLRILSJSMHSY-XOBRGWDASA-N 1 1 406.866 4.278 20 5 HIBDMO CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482503406 898084775 /nfs/dbraw/zinc/08/47/75/898084775.db2.gz FJSAXQUVRKWNNT-LPHOPBHVSA-N 1 1 416.522 4.198 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2ccccc2[N+](=O)[O-])c1 ZINC000482667661 898270025 /nfs/dbraw/zinc/27/00/25/898270025.db2.gz WOVYDNLUXTUQNZ-HNNXBMFYSA-N 1 1 400.454 4.159 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000482826596 898434882 /nfs/dbraw/zinc/43/48/82/898434882.db2.gz PIBNXZBOFCSMIL-NFBKMPQASA-N 1 1 423.513 4.236 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000482826600 898435252 /nfs/dbraw/zinc/43/52/52/898435252.db2.gz PIBNXZBOFCSMIL-NZQKXSOJSA-N 1 1 423.513 4.236 20 5 HIBDMO COc1cc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505579716 914287285 /nfs/dbraw/zinc/28/72/85/914287285.db2.gz AKBSPIWFDYZVQW-LBPRGKRZSA-N 1 1 423.416 4.057 20 5 HIBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483255766 898897320 /nfs/dbraw/zinc/89/73/20/898897320.db2.gz QPDBMSFMSBAZIH-AWEZNQCLSA-N 1 1 419.197 4.199 20 5 HIBDMO CCc1ccc([C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cc1 ZINC000484566662 900037703 /nfs/dbraw/zinc/03/77/03/900037703.db2.gz HHOREBRCDMUZMY-JOCHJYFZSA-N 1 1 407.470 4.428 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000484900054 900280387 /nfs/dbraw/zinc/28/03/87/900280387.db2.gz MLHRSLGLRZRZBT-QGZVFWFLSA-N 1 1 401.894 4.280 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000484945792 900314077 /nfs/dbraw/zinc/31/40/77/900314077.db2.gz CXJFIJCVKAMHQO-MSOLQXFVSA-N 1 1 413.905 4.151 20 5 HIBDMO Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(Br)cc1[N+](=O)[O-] ZINC000486014688 901222956 /nfs/dbraw/zinc/22/29/56/901222956.db2.gz YMBJCHXSPSWOKS-KXBFYZLASA-N 1 1 419.323 4.190 20 5 HIBDMO CSc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000486406383 901567621 /nfs/dbraw/zinc/56/76/21/901567621.db2.gz KFMMMTBXTQXALR-WMZOPIPTSA-N 1 1 413.543 4.442 20 5 HIBDMO COc1cc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)ccc1[N+](=O)[O-] ZINC000486832239 901882934 /nfs/dbraw/zinc/88/29/34/901882934.db2.gz GDLKGIKOZFHKOL-WZONZLPQSA-N 1 1 420.469 4.207 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1SC ZINC000486901045 901945816 /nfs/dbraw/zinc/94/58/16/901945816.db2.gz OVLOAOYLDGHDIP-UHFFFAOYSA-N 1 1 421.563 4.054 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000488055867 902569657 /nfs/dbraw/zinc/56/96/57/902569657.db2.gz JJESYYRJJZHKAP-BZSNNMDCSA-N 1 1 411.502 4.003 20 5 HIBDMO CCOCC[N@H+](CC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489333366 903336096 /nfs/dbraw/zinc/33/60/96/903336096.db2.gz RPAHOQJDPAFOCT-LJQANCHMSA-N 1 1 405.882 4.286 20 5 HIBDMO CCOCC[N@@H+](CC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489333366 903336111 /nfs/dbraw/zinc/33/61/11/903336111.db2.gz RPAHOQJDPAFOCT-LJQANCHMSA-N 1 1 405.882 4.286 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000489530491 903441896 /nfs/dbraw/zinc/44/18/96/903441896.db2.gz DNVFGPYHDLVNFN-PKOBYXMFSA-N 1 1 410.518 4.182 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000489574017 903473349 /nfs/dbraw/zinc/47/33/49/903473349.db2.gz RMAFVSOLBZFWPW-VPWXQRGCSA-N 1 1 416.547 4.408 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490325602 903907539 /nfs/dbraw/zinc/90/75/39/903907539.db2.gz BLKAVFCNTMXTEP-PMACEKPBSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490325602 903907547 /nfs/dbraw/zinc/90/75/47/903907547.db2.gz BLKAVFCNTMXTEP-PMACEKPBSA-N 1 1 403.429 4.135 20 5 HIBDMO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490788238 904233616 /nfs/dbraw/zinc/23/36/16/904233616.db2.gz BANFROMMZOIWPK-HOCLYGCPSA-N 1 1 421.419 4.254 20 5 HIBDMO C[C@H](OC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830270 904273537 /nfs/dbraw/zinc/27/35/37/904273537.db2.gz WNSNEIVCVFASNW-YCRPNKLZSA-N 1 1 404.894 4.351 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC000491089886 904423255 /nfs/dbraw/zinc/42/32/55/904423255.db2.gz ITSILHPYXWNCLO-MRXNPFEDSA-N 1 1 400.454 4.076 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC000491089886 904423266 /nfs/dbraw/zinc/42/32/66/904423266.db2.gz ITSILHPYXWNCLO-MRXNPFEDSA-N 1 1 400.454 4.076 20 5 HIBDMO Cc1cc([C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)ccc1F ZINC000491135758 904447741 /nfs/dbraw/zinc/44/77/41/904447741.db2.gz ZAUJQGHLCZDSPO-NRFANRHFSA-N 1 1 411.433 4.313 20 5 HIBDMO Cc1cc([C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)ccc1F ZINC000491135758 904447752 /nfs/dbraw/zinc/44/77/52/904447752.db2.gz ZAUJQGHLCZDSPO-NRFANRHFSA-N 1 1 411.433 4.313 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000491138866 904449743 /nfs/dbraw/zinc/44/97/43/904449743.db2.gz QIZQPVDRXLPPCG-OAHLLOKOSA-N 1 1 400.385 4.303 20 5 HIBDMO CC(C)c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000492059269 904779908 /nfs/dbraw/zinc/77/99/08/904779908.db2.gz GTDRHQJHOJSAFN-KRWDZBQOSA-N 1 1 411.271 4.443 20 5 HIBDMO CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000492934821 904953820 /nfs/dbraw/zinc/95/38/20/904953820.db2.gz BNWDIBKCWAYYTN-XMSQKQJNSA-N 1 1 410.518 4.352 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000493081552 905015367 /nfs/dbraw/zinc/01/53/67/905015367.db2.gz RHERSMYTDLGHNK-FHWLQOOXSA-N 1 1 402.539 4.260 20 5 HIBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000493104589 905020571 /nfs/dbraw/zinc/02/05/71/905020571.db2.gz JRFRBFXRLSZRDE-UHFFFAOYSA-N 1 1 401.894 4.085 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493210871 905052919 /nfs/dbraw/zinc/05/29/19/905052919.db2.gz NOVKJEOJUGDYCV-GFCCVEGCSA-N 1 1 409.273 4.147 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493210871 905052936 /nfs/dbraw/zinc/05/29/36/905052936.db2.gz NOVKJEOJUGDYCV-GFCCVEGCSA-N 1 1 409.273 4.147 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494077271 905414985 /nfs/dbraw/zinc/41/49/85/905414985.db2.gz GUHIAOISCHUCFC-JXFKEZNVSA-N 1 1 413.543 4.488 20 5 HIBDMO C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494233824 905559960 /nfs/dbraw/zinc/55/99/60/905559960.db2.gz LBWIJPONAYQBOR-GXDHUFHOSA-N 1 1 418.291 4.331 20 5 HIBDMO C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494233824 905559970 /nfs/dbraw/zinc/55/99/70/905559970.db2.gz LBWIJPONAYQBOR-GXDHUFHOSA-N 1 1 418.291 4.331 20 5 HIBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000494413577 905701805 /nfs/dbraw/zinc/70/18/05/905701805.db2.gz TVMXYGFGDRZZQL-ZJUUUORDSA-N 1 1 402.398 4.138 20 5 HIBDMO COc1cc(Br)ccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000494444443 905728482 /nfs/dbraw/zinc/72/84/82/905728482.db2.gz LZBMZVORENPTSG-UHFFFAOYSA-N 1 1 417.206 4.257 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494445459 905728726 /nfs/dbraw/zinc/72/87/26/905728726.db2.gz JIXDQAWVNXSVAK-JPYJTQIMSA-N 1 1 422.529 4.179 20 5 HIBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000494481880 905763204 /nfs/dbraw/zinc/76/32/04/905763204.db2.gz CMBZMHQNPNKFJA-JTQLQIEISA-N 1 1 420.384 4.007 20 5 HIBDMO COc1cc(Cl)ccc1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000494612513 905861771 /nfs/dbraw/zinc/86/17/71/905861771.db2.gz BHWRWDBMQRNZQI-UHFFFAOYSA-N 1 1 416.808 4.199 20 5 HIBDMO COC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000494715380 905918679 /nfs/dbraw/zinc/91/86/79/905918679.db2.gz OTTUVEBLOXAPHI-JOCHJYFZSA-N 1 1 406.438 4.269 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000495023398 906183231 /nfs/dbraw/zinc/18/32/31/906183231.db2.gz GVAVBYZQMFIUKD-GHTZIAJQSA-N 1 1 422.529 4.322 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1Cc1ccccc1 ZINC000512546413 921227693 /nfs/dbraw/zinc/22/76/93/921227693.db2.gz VDAOPYHQIXXLRN-FUHWJXTLSA-N 1 1 406.486 4.107 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000512609921 921259716 /nfs/dbraw/zinc/25/97/16/921259716.db2.gz SRFWBIXJKLKWRN-IAGOWNOFSA-N 1 1 416.522 4.198 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)NCc2ccccc2C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000497275849 906827666 /nfs/dbraw/zinc/82/76/66/906827666.db2.gz LQFRZNMFEKSQES-LJQANCHMSA-N 1 1 424.545 4.396 20 5 HIBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497648505 907137292 /nfs/dbraw/zinc/13/72/92/907137292.db2.gz DPXYCTLCKWHDRF-QGZVFWFLSA-N 1 1 408.285 4.469 20 5 HIBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497749278 907243272 /nfs/dbraw/zinc/24/32/72/907243272.db2.gz UBQPMSKADMVHQC-UHFFFAOYSA-N 1 1 413.861 4.403 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497749278 907243294 /nfs/dbraw/zinc/24/32/94/907243294.db2.gz UBQPMSKADMVHQC-UHFFFAOYSA-N 1 1 413.861 4.403 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C2CC2)c1 ZINC000498386711 907873394 /nfs/dbraw/zinc/87/33/94/907873394.db2.gz KCIUNURHVNAQMK-CTNGQTDRSA-N 1 1 410.474 4.011 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000498445182 907909630 /nfs/dbraw/zinc/90/96/30/907909630.db2.gz KESCGGLUZWGSHL-SFHVURJKSA-N 1 1 420.513 4.098 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000498472578 907941038 /nfs/dbraw/zinc/94/10/38/907941038.db2.gz LCWRKPIWTNRSGS-SJORKVTESA-N 1 1 422.957 4.087 20 5 HIBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498719511 908145494 /nfs/dbraw/zinc/14/54/94/908145494.db2.gz FJYXDISUJGUIGU-OAHLLOKOSA-N 1 1 416.909 4.027 20 5 HIBDMO CC[N@@H+](C)CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000498741068 908169857 /nfs/dbraw/zinc/16/98/57/908169857.db2.gz WOZRONBSOXLTFT-VKAVYKQESA-N 1 1 424.526 4.203 20 5 HIBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000513071790 921526693 /nfs/dbraw/zinc/52/66/93/921526693.db2.gz YZZWKZWLJCQXSY-FLFBIERCSA-N 1 1 417.550 4.287 20 5 HIBDMO C[N@@H+](CC1CCOCC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000502553220 911562230 /nfs/dbraw/zinc/56/22/30/911562230.db2.gz LBTNYWLQFZXKHT-FQEVSTJZSA-N 1 1 417.893 4.286 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000503152500 912119203 /nfs/dbraw/zinc/11/92/03/912119203.db2.gz OAUWFVKJKOUOOB-UHFFFAOYSA-N 1 1 414.531 4.199 20 5 HIBDMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506496622 915111725 /nfs/dbraw/zinc/11/17/25/915111725.db2.gz SQHGVCXHJKRGKR-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506496622 915111753 /nfs/dbraw/zinc/11/17/53/915111753.db2.gz SQHGVCXHJKRGKR-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO COc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506562350 915209208 /nfs/dbraw/zinc/20/92/08/915209208.db2.gz PAKZSCUPNWTRJJ-IBGZPJMESA-N 1 1 412.486 4.183 20 5 HIBDMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513404835 921773471 /nfs/dbraw/zinc/77/34/71/921773471.db2.gz AUYAMCYSQSMRED-LJQANCHMSA-N 1 1 401.532 4.403 20 5 HIBDMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513404835 921773482 /nfs/dbraw/zinc/77/34/82/921773482.db2.gz AUYAMCYSQSMRED-LJQANCHMSA-N 1 1 401.532 4.403 20 5 HIBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000507097178 915867131 /nfs/dbraw/zinc/86/71/31/915867131.db2.gz DLVFRFHANYAZJL-OAHLLOKOSA-N 1 1 417.893 4.246 20 5 HIBDMO CC(C)[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000507168007 915910036 /nfs/dbraw/zinc/91/00/36/915910036.db2.gz AFTKEDGMIDWCHS-UHFFFAOYSA-N 1 1 408.458 4.167 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000507254794 916015666 /nfs/dbraw/zinc/01/56/66/916015666.db2.gz XEVRODLVMWGQMM-NEPJUHHUSA-N 1 1 424.270 4.483 20 5 HIBDMO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000509182206 917892066 /nfs/dbraw/zinc/89/20/66/917892066.db2.gz ZAGZWBNBVBSCSA-FQEVSTJZSA-N 1 1 411.502 4.120 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000509574878 918224911 /nfs/dbraw/zinc/22/49/11/918224911.db2.gz XYWXTZGFPAFKCO-UHFFFAOYSA-N 1 1 402.401 4.452 20 5 HIBDMO COc1ccc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)cc1[N+](=O)[O-] ZINC000510426390 918890835 /nfs/dbraw/zinc/89/08/35/918890835.db2.gz DXMICRTZPMZUNY-UHFFFAOYSA-N 1 1 412.465 4.208 20 5 HIBDMO COc1cc(Br)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000511136671 919752955 /nfs/dbraw/zinc/75/29/55/919752955.db2.gz JVERQTOWKBSEER-UHFFFAOYSA-N 1 1 409.280 4.049 20 5 HIBDMO COc1cc(Br)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000511136671 919752980 /nfs/dbraw/zinc/75/29/80/919752980.db2.gz JVERQTOWKBSEER-UHFFFAOYSA-N 1 1 409.280 4.049 20 5 HIBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000511520495 920138448 /nfs/dbraw/zinc/13/84/48/920138448.db2.gz DBEPOQDUTNJXHH-UHFFFAOYSA-N 1 1 411.252 4.002 20 5 HIBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000562370865 945065679 /nfs/dbraw/zinc/06/56/79/945065679.db2.gz BJXZFHIWLAMIAP-IBGZPJMESA-N 1 1 406.490 4.042 20 5 HIBDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513502634 921852723 /nfs/dbraw/zinc/85/27/23/921852723.db2.gz CCXBPPWLHNIOJO-LJQANCHMSA-N 1 1 400.475 4.041 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000513516531 921863169 /nfs/dbraw/zinc/86/31/69/921863169.db2.gz XRLRSYFYXZIFMY-OAQYLSRUSA-N 1 1 414.893 4.378 20 5 HIBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000514117498 922450314 /nfs/dbraw/zinc/45/03/14/922450314.db2.gz XIHBGHOYADULJN-IBGZPJMESA-N 1 1 413.474 4.086 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCCN(c3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000514971869 922860058 /nfs/dbraw/zinc/86/00/58/922860058.db2.gz FVJQEPMBHDCILP-UHFFFAOYSA-N 1 1 416.909 4.098 20 5 HIBDMO COc1ccc(C(C)(C)C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000516100542 923543287 /nfs/dbraw/zinc/54/32/87/923543287.db2.gz SQVSZNRXDNPDKR-NRFANRHFSA-N 1 1 424.501 4.002 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cccc(C(=O)NC4CC4)c3)o2)c([N+](=O)[O-])c1 ZINC000517544329 924255430 /nfs/dbraw/zinc/25/54/30/924255430.db2.gz GUIPWPOOYIAXMU-UHFFFAOYSA-N 1 1 421.453 4.045 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)s1 ZINC000517615612 926725601 /nfs/dbraw/zinc/72/56/01/926725601.db2.gz LJCFGGYCIVYUBQ-CQSZACIVSA-N 1 1 407.923 4.212 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000520292101 928455273 /nfs/dbraw/zinc/45/52/73/928455273.db2.gz WNPJFDCIBJSEMY-QGZVFWFLSA-N 1 1 405.857 4.172 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000520292101 928455280 /nfs/dbraw/zinc/45/52/80/928455280.db2.gz WNPJFDCIBJSEMY-QGZVFWFLSA-N 1 1 405.857 4.172 20 5 HIBDMO CCc1nc(C[NH+]2CCC(CNc3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)cs1 ZINC000520340369 928503678 /nfs/dbraw/zinc/50/36/78/928503678.db2.gz DFXRPHNAPZQRIO-UHFFFAOYSA-N 1 1 402.520 4.140 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000520686065 928733978 /nfs/dbraw/zinc/73/39/78/928733978.db2.gz YNKVBSDKSJCPIK-QGZVFWFLSA-N 1 1 419.485 4.407 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000521720370 929388545 /nfs/dbraw/zinc/38/85/45/929388545.db2.gz PGAFWVALQHOBNA-UHFFFAOYSA-N 1 1 421.522 4.472 20 5 HIBDMO C[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000521823135 929479246 /nfs/dbraw/zinc/47/92/46/929479246.db2.gz JFMOLZGBEFQOIE-LJQANCHMSA-N 1 1 419.529 4.269 20 5 HIBDMO C[C@@H]([NH2+][C@@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000524888066 929874345 /nfs/dbraw/zinc/87/43/45/929874345.db2.gz HIPPOXUNUMQYCY-GCJKJVERSA-N 1 1 419.481 4.470 20 5 HIBDMO COc1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000525273767 930125629 /nfs/dbraw/zinc/12/56/29/930125629.db2.gz XSQATBWQJBSWJJ-HNNXBMFYSA-N 1 1 400.422 4.128 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000525551269 930320028 /nfs/dbraw/zinc/32/00/28/930320028.db2.gz HMBURRSNEHXWHI-QRWLVFNGSA-N 1 1 414.531 4.044 20 5 HIBDMO O=C1[C@@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000530716902 930806778 /nfs/dbraw/zinc/80/67/78/930806778.db2.gz NRMNMFQPLAXZTK-AZUAARDMSA-N 1 1 411.458 4.280 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OC3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000532556446 931523096 /nfs/dbraw/zinc/52/30/96/931523096.db2.gz IRCRQZJJTFMANA-IIIMJFFVSA-N 1 1 403.523 4.290 20 5 HIBDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000532577470 931537035 /nfs/dbraw/zinc/53/70/35/931537035.db2.gz JZPJZINUTZTEIC-GOSISDBHSA-N 1 1 402.882 4.090 20 5 HIBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000532577470 931537046 /nfs/dbraw/zinc/53/70/46/931537046.db2.gz JZPJZINUTZTEIC-GOSISDBHSA-N 1 1 402.882 4.090 20 5 HIBDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893998 931682756 /nfs/dbraw/zinc/68/27/56/931682756.db2.gz ULXJSQPGAUUHIK-RDTXWAMCSA-N 1 1 411.458 4.274 20 5 HIBDMO CCC[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532974932 931722107 /nfs/dbraw/zinc/72/21/07/931722107.db2.gz AECWETCJJDTPEC-QGZVFWFLSA-N 1 1 406.280 4.379 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000533032634 931746882 /nfs/dbraw/zinc/74/68/82/931746882.db2.gz FMDLKRADEWQXFK-CYBMUJFWSA-N 1 1 409.273 4.147 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000533032634 931746889 /nfs/dbraw/zinc/74/68/89/931746889.db2.gz FMDLKRADEWQXFK-CYBMUJFWSA-N 1 1 409.273 4.147 20 5 HIBDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)s1 ZINC000533036704 931747981 /nfs/dbraw/zinc/74/79/81/931747981.db2.gz NMPNMRBLQMZRGN-UHFFFAOYSA-N 1 1 417.531 4.146 20 5 HIBDMO COc1ccc([C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1 ZINC000533055306 931756760 /nfs/dbraw/zinc/75/67/60/931756760.db2.gz BQQKIKFAXZEWME-QHCPKHFHSA-N 1 1 423.444 4.085 20 5 HIBDMO O=C(Nc1ccccc1)c1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000533242788 931817111 /nfs/dbraw/zinc/81/71/11/931817111.db2.gz SLVIAFHXYHMLSL-UHFFFAOYSA-N 1 1 416.481 4.169 20 5 HIBDMO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000533407165 931860501 /nfs/dbraw/zinc/86/05/01/931860501.db2.gz MNVVJZITEABFPZ-UTKZUKDTSA-N 1 1 421.501 4.302 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000533471158 931877694 /nfs/dbraw/zinc/87/76/94/931877694.db2.gz XWESWZQGKUDAAJ-LSDHHAIUSA-N 1 1 410.499 4.411 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000533471158 931877697 /nfs/dbraw/zinc/87/76/97/931877697.db2.gz XWESWZQGKUDAAJ-LSDHHAIUSA-N 1 1 410.499 4.411 20 5 HIBDMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000533480609 931879932 /nfs/dbraw/zinc/87/99/32/931879932.db2.gz BYNRUDKGAZCUQD-UHFFFAOYSA-N 1 1 403.866 4.108 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000533524476 931894466 /nfs/dbraw/zinc/89/44/66/931894466.db2.gz HUHWFPYJDGIDOU-OAQYLSRUSA-N 1 1 421.501 4.346 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000533975965 932153520 /nfs/dbraw/zinc/15/35/20/932153520.db2.gz VZFOQAAVIAXABY-QGZVFWFLSA-N 1 1 412.534 4.122 20 5 HIBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534242207 932360756 /nfs/dbraw/zinc/36/07/56/932360756.db2.gz IILAWEZDOIDQRY-FZKQIMNGSA-N 1 1 406.845 4.202 20 5 HIBDMO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000535555977 933240316 /nfs/dbraw/zinc/24/03/16/933240316.db2.gz MUPOUXUJVKOMBH-QFIPXVFZSA-N 1 1 406.486 4.346 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536009861 933567407 /nfs/dbraw/zinc/56/74/07/933567407.db2.gz QYNRSOYWNYJPOK-GOSISDBHSA-N 1 1 422.529 4.237 20 5 HIBDMO C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537323673 933716782 /nfs/dbraw/zinc/71/67/82/933716782.db2.gz LHABWKOOTVYQMD-GCJKJVERSA-N 1 1 419.529 4.138 20 5 HIBDMO C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000537323673 933716786 /nfs/dbraw/zinc/71/67/86/933716786.db2.gz LHABWKOOTVYQMD-GCJKJVERSA-N 1 1 419.529 4.138 20 5 HIBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537375470 933743457 /nfs/dbraw/zinc/74/34/57/933743457.db2.gz SKYQHBUPEMJGMK-ZWKOTPCHSA-N 1 1 421.419 4.481 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537648642 938345707 /nfs/dbraw/zinc/34/57/07/938345707.db2.gz WXWZCKJSXIHTBF-WOJBJXKFSA-N 1 1 412.486 4.041 20 5 HIBDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537698561 938358667 /nfs/dbraw/zinc/35/86/67/938358667.db2.gz WXYIZOIBNWQZEU-YSGRDPCXSA-N 1 1 401.532 4.007 20 5 HIBDMO C[C@H](c1cccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000537715638 938362218 /nfs/dbraw/zinc/36/22/18/938362218.db2.gz LJHLIRYUTVDZBZ-QGZVFWFLSA-N 1 1 421.501 4.001 20 5 HIBDMO Cc1cnc([C@@H](C)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 ZINC000537811365 938382500 /nfs/dbraw/zinc/38/25/00/938382500.db2.gz VKCJZJTXFKSSFJ-MRXNPFEDSA-N 1 1 412.515 4.499 20 5 HIBDMO Cn1cc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538728134 938694016 /nfs/dbraw/zinc/69/40/16/938694016.db2.gz YFFBMRJNGJJINI-QFIPXVFZSA-N 1 1 405.502 4.096 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000538736873 938697026 /nfs/dbraw/zinc/69/70/26/938697026.db2.gz LCBRRFCVJKJNMQ-IEBWSBKVSA-N 1 1 408.545 4.111 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000538736873 938697027 /nfs/dbraw/zinc/69/70/27/938697027.db2.gz LCBRRFCVJKJNMQ-IEBWSBKVSA-N 1 1 408.545 4.111 20 5 HIBDMO COc1ccccc1[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000539059538 938787143 /nfs/dbraw/zinc/78/71/43/938787143.db2.gz PPDPCESDFUUYAW-NYHFZMIOSA-N 1 1 409.442 4.293 20 5 HIBDMO COc1cc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000539824164 938946104 /nfs/dbraw/zinc/94/61/04/938946104.db2.gz AMXMBPRKHVSKBJ-KRWDZBQOSA-N 1 1 405.539 4.089 20 5 HIBDMO COc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539826424 938948454 /nfs/dbraw/zinc/94/84/54/938948454.db2.gz ILMPJVPUCINNTB-UHFFFAOYSA-N 1 1 422.485 4.285 20 5 HIBDMO CC[N@@H+](CCC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)CC(C)C ZINC000540195905 939120884 /nfs/dbraw/zinc/12/08/84/939120884.db2.gz MYMPRIZGINIMTC-UHFFFAOYSA-N 1 1 415.538 4.225 20 5 HIBDMO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000540376826 939217073 /nfs/dbraw/zinc/21/70/73/939217073.db2.gz JGABMKWWDWAIMR-ZDUSSCGKSA-N 1 1 412.471 4.016 20 5 HIBDMO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000540376824 939217087 /nfs/dbraw/zinc/21/70/87/939217087.db2.gz JGABMKWWDWAIMR-CYBMUJFWSA-N 1 1 412.471 4.016 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000540391469 939230349 /nfs/dbraw/zinc/23/03/49/939230349.db2.gz XIWTXTDUMSBATP-MRXNPFEDSA-N 1 1 401.532 4.346 20 5 HIBDMO C[C@@H](NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000540413336 939239710 /nfs/dbraw/zinc/23/97/10/939239710.db2.gz MLILAZTUMLBNAQ-FOUBCARRSA-N 1 1 410.518 4.112 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000540480067 939269348 /nfs/dbraw/zinc/26/93/48/939269348.db2.gz GEBQXMHWFPLSES-KXBFYZLASA-N 1 1 422.441 4.118 20 5 HIBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540602050 939316646 /nfs/dbraw/zinc/31/66/46/939316646.db2.gz CSLGBJPADPOMPL-HYXAFXHYSA-N 1 1 411.771 4.113 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1OC ZINC000541056292 939444040 /nfs/dbraw/zinc/44/40/40/939444040.db2.gz HMMITGYICDSYBO-RCCFBDPRSA-N 1 1 406.523 4.277 20 5 HIBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)sc2C1 ZINC000541271244 939488606 /nfs/dbraw/zinc/48/86/06/939488606.db2.gz OMUSZUWGHWKUBP-UHFFFAOYSA-N 1 1 402.520 4.368 20 5 HIBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)sc2C1 ZINC000541271244 939488607 /nfs/dbraw/zinc/48/86/07/939488607.db2.gz OMUSZUWGHWKUBP-UHFFFAOYSA-N 1 1 402.520 4.368 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000541424968 939512742 /nfs/dbraw/zinc/51/27/42/939512742.db2.gz HPANWBDQQOJTNM-IJEWVQPXSA-N 1 1 411.955 4.204 20 5 HIBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541597445 939563504 /nfs/dbraw/zinc/56/35/04/939563504.db2.gz DHZLWONNUQWEIM-PXNSSMCTSA-N 1 1 417.575 4.433 20 5 HIBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541696457 939607511 /nfs/dbraw/zinc/60/75/11/939607511.db2.gz JHPPYLCHVHJMCM-HNAYVOBHSA-N 1 1 421.856 4.178 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000541763445 939624297 /nfs/dbraw/zinc/62/42/97/939624297.db2.gz LHZSEKSWXRKNFO-LJQANCHMSA-N 1 1 419.485 4.258 20 5 HIBDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542092989 939708289 /nfs/dbraw/zinc/70/82/89/939708289.db2.gz GZDBWAIYWSOSAT-WMZOPIPTSA-N 1 1 420.872 4.126 20 5 HIBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542092989 939708294 /nfs/dbraw/zinc/70/82/94/939708294.db2.gz GZDBWAIYWSOSAT-WMZOPIPTSA-N 1 1 420.872 4.126 20 5 HIBDMO CCc1ccc([C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542479000 939830219 /nfs/dbraw/zinc/83/02/19/939830219.db2.gz LTANGXWCWDFUOI-XMSQKQJNSA-N 1 1 414.433 4.008 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000542498905 939833296 /nfs/dbraw/zinc/83/32/96/939833296.db2.gz LXGKKNOGUNVDED-INIZCTEOSA-N 1 1 407.264 4.369 20 5 HIBDMO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000542590705 939846901 /nfs/dbraw/zinc/84/69/01/939846901.db2.gz SRMRWVYPHWSJMW-KDOFPFPSSA-N 1 1 408.483 4.174 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1OC ZINC000542916956 939877344 /nfs/dbraw/zinc/87/73/44/939877344.db2.gz RDZGAPBESYXSDW-SJORKVTESA-N 1 1 416.522 4.141 20 5 HIBDMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000543157128 939979619 /nfs/dbraw/zinc/97/96/19/939979619.db2.gz UQNNJRZDBAIYEX-UHFFFAOYSA-N 1 1 408.285 4.296 20 5 HIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560974 940109351 /nfs/dbraw/zinc/10/93/51/940109351.db2.gz ROYHAHAFTDGCMB-OALUTQOASA-N 1 1 412.421 4.136 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000544069246 940316877 /nfs/dbraw/zinc/31/68/77/940316877.db2.gz LSEVLBQIHYUAET-KRWDZBQOSA-N 1 1 410.392 4.018 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000545119981 940544552 /nfs/dbraw/zinc/54/45/52/940544552.db2.gz WFTCRQDQKWKXNN-CQSZACIVSA-N 1 1 410.449 4.383 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCC[N@@H+](Cc5ccccc5)C4)n3)c2c1 ZINC000545146046 940550641 /nfs/dbraw/zinc/55/06/41/940550641.db2.gz URDSMBYGIPIGMQ-QGZVFWFLSA-N 1 1 417.469 4.430 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000545876207 940648554 /nfs/dbraw/zinc/64/85/54/940648554.db2.gz YNQMVCHVZHPQSI-SFHVURJKSA-N 1 1 407.873 4.084 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000546610902 940861156 /nfs/dbraw/zinc/86/11/56/940861156.db2.gz FGJJEKASQHAROO-IBGZPJMESA-N 1 1 422.485 4.213 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000547106007 940998331 /nfs/dbraw/zinc/99/83/31/940998331.db2.gz OENFEAXDEDMHBN-IYBDPMFKSA-N 1 1 408.458 4.229 20 5 HIBDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000549187781 941169495 /nfs/dbraw/zinc/16/94/95/941169495.db2.gz UQUWGMXPWBKHHP-UHFFFAOYSA-N 1 1 401.463 4.194 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000549814162 941208255 /nfs/dbraw/zinc/20/82/55/941208255.db2.gz XJGSZVRURDZOFR-ZDUSSCGKSA-N 1 1 410.392 4.376 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000550180481 941294693 /nfs/dbraw/zinc/29/46/93/941294693.db2.gz NVVLDDKZYVIHDW-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882162 941378626 /nfs/dbraw/zinc/37/86/26/941378626.db2.gz IZVULVANSXMVAC-UNMCSNQZSA-N 1 1 423.557 4.483 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882162 941378633 /nfs/dbraw/zinc/37/86/33/941378633.db2.gz IZVULVANSXMVAC-UNMCSNQZSA-N 1 1 423.557 4.483 20 5 HIBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000551211247 941428404 /nfs/dbraw/zinc/42/84/04/941428404.db2.gz GRCRFYXFASRUHY-AAEUAGOBSA-N 1 1 411.325 4.369 20 5 HIBDMO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000552058452 941576639 /nfs/dbraw/zinc/57/66/39/941576639.db2.gz JZNVZCKPKXVDGL-NSISKUIASA-N 1 1 408.458 4.086 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]CCn2cc(Br)cn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000552335282 941635260 /nfs/dbraw/zinc/63/52/60/941635260.db2.gz NCXATEYBUXNLAK-SFHVURJKSA-N 1 1 419.279 4.088 20 5 HIBDMO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554181153 942059364 /nfs/dbraw/zinc/05/93/64/942059364.db2.gz QQKWVEFHKKRZKB-IBGZPJMESA-N 1 1 403.866 4.205 20 5 HIBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554181153 942059374 /nfs/dbraw/zinc/05/93/74/942059374.db2.gz QQKWVEFHKKRZKB-IBGZPJMESA-N 1 1 403.866 4.205 20 5 HIBDMO CCOC(=O)C1CCC([N@@H+](CC)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000554852990 942289308 /nfs/dbraw/zinc/28/93/08/942289308.db2.gz UZOAYUQAQQZAEN-UHFFFAOYSA-N 1 1 415.490 4.236 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000556615396 942916919 /nfs/dbraw/zinc/91/69/19/942916919.db2.gz WOTMBYNSFSUPKW-HIFRSBDPSA-N 1 1 407.392 4.006 20 5 HIBDMO CCOc1cc(C[N@@H+]2[C@H](CC)CC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000558423705 943555723 /nfs/dbraw/zinc/55/57/23/943555723.db2.gz OKQPFRVXZFODIZ-QFBILLFUSA-N 1 1 416.522 4.340 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000558779449 943659603 /nfs/dbraw/zinc/65/96/03/943659603.db2.gz LZERDHBRVMKDKK-QGZVFWFLSA-N 1 1 411.502 4.298 20 5 HIBDMO COCCO[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000559072492 943825499 /nfs/dbraw/zinc/82/54/99/943825499.db2.gz KHVULNDDROTSNN-LJQANCHMSA-N 1 1 404.438 4.154 20 5 HIBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000559072492 943825504 /nfs/dbraw/zinc/82/55/04/943825504.db2.gz KHVULNDDROTSNN-LJQANCHMSA-N 1 1 404.438 4.154 20 5 HIBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000559552703 944003029 /nfs/dbraw/zinc/00/30/29/944003029.db2.gz YDLMFWMEUJXFRX-VNHYZAJKSA-N 1 1 424.339 4.143 20 5 HIBDMO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000560537552 944246688 /nfs/dbraw/zinc/24/66/88/944246688.db2.gz BPGXTZMODPQLFU-DFQSSKMNSA-N 1 1 408.458 4.086 20 5 HIBDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560611458 944273879 /nfs/dbraw/zinc/27/38/79/944273879.db2.gz BPJUVWGJOCJPOW-HXUWFJFHSA-N 1 1 412.877 4.302 20 5 HIBDMO CCOc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000564521183 945649577 /nfs/dbraw/zinc/64/95/77/945649577.db2.gz PZIJNFTZNGIORH-LJQANCHMSA-N 1 1 411.502 4.026 20 5 HIBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000566567148 946041877 /nfs/dbraw/zinc/04/18/77/946041877.db2.gz VZNFLPNMLZKHDB-HSZRJFAPSA-N 1 1 414.502 4.167 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000571147024 947527902 /nfs/dbraw/zinc/52/79/02/947527902.db2.gz ZFONJCVAGVTJPF-FQEVSTJZSA-N 1 1 421.501 4.035 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCOCC1CCC1)c1ccccc1 ZINC000572778142 948008838 /nfs/dbraw/zinc/00/88/38/948008838.db2.gz VOAFSYREBLAZAG-HXUWFJFHSA-N 1 1 417.893 4.334 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000573018460 948059621 /nfs/dbraw/zinc/05/96/21/948059621.db2.gz OZDIICSMEWMHHA-QYZOEREBSA-N 1 1 404.413 4.201 20 5 HIBDMO C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000574689925 948504968 /nfs/dbraw/zinc/50/49/68/948504968.db2.gz AXCIQAAOAQXQBC-QGZVFWFLSA-N 1 1 407.470 4.240 20 5 HIBDMO C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000574689925 948504971 /nfs/dbraw/zinc/50/49/71/948504971.db2.gz AXCIQAAOAQXQBC-QGZVFWFLSA-N 1 1 407.470 4.240 20 5 HIBDMO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000575769710 948698535 /nfs/dbraw/zinc/69/85/35/948698535.db2.gz JMQNDPHKQQTOGY-JMUQELJHSA-N 1 1 419.529 4.060 20 5 HIBDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967010 948804256 /nfs/dbraw/zinc/80/42/56/948804256.db2.gz NRHZUUXQKYJOOO-KDOFPFPSSA-N 1 1 421.419 4.108 20 5 HIBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164619779 719069490 /nfs/dbraw/zinc/06/94/90/719069490.db2.gz COPRVYAQLBJOTO-OXJNMPFZSA-N 1 1 423.904 4.292 20 5 HIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164795083 721497931 /nfs/dbraw/zinc/49/79/31/721497931.db2.gz CTSDQFIHBUBQCH-UHFFFAOYSA-N 1 1 417.513 4.419 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001165027766 721818267 /nfs/dbraw/zinc/81/82/67/721818267.db2.gz VWSMHDJHBOELSB-KAGYGMCKSA-N 1 1 417.513 4.275 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008262216 845501643 /nfs/dbraw/zinc/50/16/43/845501643.db2.gz FDSHZCOAOHPUPG-OAHLLOKOSA-N 1 1 410.499 4.331 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008262216 845501650 /nfs/dbraw/zinc/50/16/50/845501650.db2.gz FDSHZCOAOHPUPG-OAHLLOKOSA-N 1 1 410.499 4.331 20 5 HIBDMO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000010351852 845649251 /nfs/dbraw/zinc/64/92/51/845649251.db2.gz CRMOZKPVNZLJOJ-OPAMFIHVSA-N 1 1 405.454 4.310 20 5 HIBDMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000024743999 846862156 /nfs/dbraw/zinc/86/21/56/846862156.db2.gz PONHIDDIIVRJFP-CYBMUJFWSA-N 1 1 421.881 4.033 20 5 HIBDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000024743999 846862160 /nfs/dbraw/zinc/86/21/60/846862160.db2.gz PONHIDDIIVRJFP-CYBMUJFWSA-N 1 1 421.881 4.033 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(Br)cc1 ZINC000026224892 847106242 /nfs/dbraw/zinc/10/62/42/847106242.db2.gz KRXMFJDLJMYBEP-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)ccc2c1 ZINC000026259864 847116829 /nfs/dbraw/zinc/11/68/29/847116829.db2.gz ULUAVKUTBRMJHK-UHFFFAOYSA-N 1 1 423.469 4.226 20 5 HIBDMO COc1ccc(C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000027366214 847290152 /nfs/dbraw/zinc/29/01/52/847290152.db2.gz HRWJGPAAVATSSM-UHFFFAOYSA-N 1 1 408.401 4.378 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000027366214 847290158 /nfs/dbraw/zinc/29/01/58/847290158.db2.gz HRWJGPAAVATSSM-UHFFFAOYSA-N 1 1 408.401 4.378 20 5 HIBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029634476 847592071 /nfs/dbraw/zinc/59/20/71/847592071.db2.gz IUGGPFRVRRBHPZ-UHFFFAOYSA-N 1 1 415.519 4.254 20 5 HIBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132337 849434703 /nfs/dbraw/zinc/43/47/03/849434703.db2.gz ZIBAIEWDGFBXLQ-GHTZIAJQSA-N 1 1 408.458 4.245 20 5 HIBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133768 849435577 /nfs/dbraw/zinc/43/55/77/849435577.db2.gz DQUFYSHJACKIST-IIBYNOLFSA-N 1 1 417.893 4.286 20 5 HIBDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000064448229 851900547 /nfs/dbraw/zinc/90/05/47/851900547.db2.gz FIKKHMOPQIAOHX-UHFFFAOYSA-N 1 1 421.419 4.350 20 5 HIBDMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000064918965 852022905 /nfs/dbraw/zinc/02/29/05/852022905.db2.gz TZWJRHCGHBIYOI-GOSISDBHSA-N 1 1 420.494 4.343 20 5 HIBDMO CC(C)c1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000065013810 852040487 /nfs/dbraw/zinc/04/04/87/852040487.db2.gz OTGOAIOBJGXLLD-UHFFFAOYSA-N 1 1 419.547 4.085 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccccc1Br ZINC000109092330 852920212 /nfs/dbraw/zinc/92/02/12/852920212.db2.gz WBLNUYYNFKNWOW-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccccc1Br ZINC000109092330 852920217 /nfs/dbraw/zinc/92/02/17/852920217.db2.gz WBLNUYYNFKNWOW-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000109531734 852980571 /nfs/dbraw/zinc/98/05/71/852980571.db2.gz YDYXMPGMYZNZGA-GOSISDBHSA-N 1 1 411.355 4.127 20 5 HIBDMO COc1cc(C[N@H+](C)Cc2cc(C)c(OC)c(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000110288584 853084164 /nfs/dbraw/zinc/08/41/64/853084164.db2.gz HSEBTWGTXZIHKF-UHFFFAOYSA-N 1 1 410.417 4.462 20 5 HIBDMO COc1cc(C[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000110288584 853084168 /nfs/dbraw/zinc/08/41/68/853084168.db2.gz HSEBTWGTXZIHKF-UHFFFAOYSA-N 1 1 410.417 4.462 20 5 HIBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000150249295 853641996 /nfs/dbraw/zinc/64/19/96/853641996.db2.gz KZKXAODURTUKMT-FQEVSTJZSA-N 1 1 413.474 4.086 20 5 HIBDMO CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236831244 853927719 /nfs/dbraw/zinc/92/77/19/853927719.db2.gz PJKMLNXOIPVXMH-UHFFFAOYSA-N 1 1 405.502 4.021 20 5 HIBDMO CC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236831244 853927721 /nfs/dbraw/zinc/92/77/21/853927721.db2.gz PJKMLNXOIPVXMH-UHFFFAOYSA-N 1 1 405.502 4.021 20 5 HIBDMO CC[N@@H+]1CCC[C@@H](CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000236930688 853939297 /nfs/dbraw/zinc/93/92/97/853939297.db2.gz MXUJADJJVQSCDD-FQEVSTJZSA-N 1 1 413.518 4.004 20 5 HIBDMO CC[N@H+]1CCC[C@@H](CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000236930688 853939299 /nfs/dbraw/zinc/93/92/99/853939299.db2.gz MXUJADJJVQSCDD-FQEVSTJZSA-N 1 1 413.518 4.004 20 5 HIBDMO CCc1cnc(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)s1 ZINC000237015681 853951473 /nfs/dbraw/zinc/95/14/73/853951473.db2.gz JLLLHQAGHDVDPT-UHFFFAOYSA-N 1 1 413.499 4.491 20 5 HIBDMO COc1cc(C[NH2+]Cc2nccn2C(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237135234 853970380 /nfs/dbraw/zinc/97/03/80/853970380.db2.gz GAFHRMRVUGVJLM-UHFFFAOYSA-N 1 1 418.400 4.064 20 5 HIBDMO C[N@H+](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(F)cc1 ZINC000237167060 853975457 /nfs/dbraw/zinc/97/54/57/853975457.db2.gz LHDSYJSOTLRLRP-UHFFFAOYSA-N 1 1 400.479 4.079 20 5 HIBDMO C[N@@H+](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(F)cc1 ZINC000237167060 853975458 /nfs/dbraw/zinc/97/54/58/853975458.db2.gz LHDSYJSOTLRLRP-UHFFFAOYSA-N 1 1 400.479 4.079 20 5 HIBDMO C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[N@@H+](C)C1CC1 ZINC000237409430 854025509 /nfs/dbraw/zinc/02/55/09/854025509.db2.gz YIUQVNRBZMNQEB-LBPRGKRZSA-N 1 1 408.296 4.190 20 5 HIBDMO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)N(C)C1CC1 ZINC000237409430 854025517 /nfs/dbraw/zinc/02/55/17/854025517.db2.gz YIUQVNRBZMNQEB-LBPRGKRZSA-N 1 1 408.296 4.190 20 5 HIBDMO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1nnnn1-c1ccccc1 ZINC000237419140 854028326 /nfs/dbraw/zinc/02/83/26/854028326.db2.gz RKMGEVLREWJNIJ-CQSZACIVSA-N 1 1 406.471 4.150 20 5 HIBDMO C[C@H](c1ccccc1)[NH+]1CCC(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237456567 854036897 /nfs/dbraw/zinc/03/68/97/854036897.db2.gz NAJDZOXMYJHODT-GOSISDBHSA-N 1 1 419.529 4.311 20 5 HIBDMO C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[N@@H+]1C1CC1 ZINC000237484962 854043478 /nfs/dbraw/zinc/04/34/78/854043478.db2.gz OSVJLQDEMWFHJC-CHWSQXEVSA-N 1 1 420.307 4.332 20 5 HIBDMO C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[N@H+]1C1CC1 ZINC000237484962 854043483 /nfs/dbraw/zinc/04/34/83/854043483.db2.gz OSVJLQDEMWFHJC-CHWSQXEVSA-N 1 1 420.307 4.332 20 5 HIBDMO Cc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000237802713 854100141 /nfs/dbraw/zinc/10/01/41/854100141.db2.gz JDGSEBWCHFCJCO-GOSISDBHSA-N 1 1 421.419 4.375 20 5 HIBDMO Cn1cc(C[NH2+]Cc2c(F)cccc2OC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237930046 854120911 /nfs/dbraw/zinc/12/09/11/854120911.db2.gz AGQLLCKPVRGZPS-UHFFFAOYSA-N 1 1 406.364 4.026 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)c3ccccc3)o2)c(Br)c1 ZINC000237956593 854125339 /nfs/dbraw/zinc/12/53/39/854125339.db2.gz NLEFDSVKUDAXEJ-GOSISDBHSA-N 1 1 417.259 4.441 20 5 HIBDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])cc3Br)CC2)oc1C ZINC000301347994 854366641 /nfs/dbraw/zinc/36/66/41/854366641.db2.gz IQIUJJITBGIQSK-UHFFFAOYSA-N 1 1 423.311 4.286 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000301389093 854379814 /nfs/dbraw/zinc/37/98/14/854379814.db2.gz ZCADISCKBXRKGJ-KRWDZBQOSA-N 1 1 424.501 4.395 20 5 HIBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1Cc1ccccc1 ZINC000301509154 854409654 /nfs/dbraw/zinc/40/96/54/854409654.db2.gz ASASWUMNQBYCSW-DZGCQCFKSA-N 1 1 405.296 4.217 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)[C@@H]1c1cccs1 ZINC000301523908 854412488 /nfs/dbraw/zinc/41/24/88/854412488.db2.gz IDFKZTQHGGECDA-XHDPSFHLSA-N 1 1 411.325 4.309 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301679946 854443914 /nfs/dbraw/zinc/44/39/14/854443914.db2.gz SHTIZIVVBXDLIU-CQSZACIVSA-N 1 1 411.344 4.233 20 5 HIBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000301687300 854445160 /nfs/dbraw/zinc/44/51/60/854445160.db2.gz MGDUKLBUQVRRNB-GFCCVEGCSA-N 1 1 411.325 4.138 20 5 HIBDMO O=C(c1ccccc1)c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301753786 854459407 /nfs/dbraw/zinc/45/94/07/854459407.db2.gz CAPZKXNJWAARRK-CTNGQTDRSA-N 1 1 405.498 4.279 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000303046284 854736916 /nfs/dbraw/zinc/73/69/16/854736916.db2.gz QSXCTGUWNYTDAO-IBGZPJMESA-N 1 1 407.392 4.296 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCCO)[C@@H]3CCc4ccccc43)o2)c1 ZINC000303540047 855025585 /nfs/dbraw/zinc/02/55/85/855025585.db2.gz HRVKSHGTYAHLBT-OAQYLSRUSA-N 1 1 407.470 4.164 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000303540322 855025861 /nfs/dbraw/zinc/02/58/61/855025861.db2.gz JLPFYAHVTDTWMK-GOSISDBHSA-N 1 1 421.501 4.004 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000303652639 855107076 /nfs/dbraw/zinc/10/70/76/855107076.db2.gz XJISCAUNHUBHMD-UHFFFAOYSA-N 1 1 419.569 4.125 20 5 HIBDMO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000303788744 855198615 /nfs/dbraw/zinc/19/86/15/855198615.db2.gz UPHQNUJRUCUYJK-FXAWDEMLSA-N 1 1 411.502 4.119 20 5 HIBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000304062162 855347839 /nfs/dbraw/zinc/34/78/39/855347839.db2.gz RMVUPZQSBBXOAS-OAQYLSRUSA-N 1 1 421.522 4.115 20 5 HIBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000304062162 855347848 /nfs/dbraw/zinc/34/78/48/855347848.db2.gz RMVUPZQSBBXOAS-OAQYLSRUSA-N 1 1 421.522 4.115 20 5 HIBDMO Cc1c(Cc2noc([C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000426461731 856302547 /nfs/dbraw/zinc/30/25/47/856302547.db2.gz SZUVJLGDSIGBME-ZIAGYGMSSA-N 1 1 412.412 4.253 20 5 HIBDMO COCC[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426497799 856321166 /nfs/dbraw/zinc/32/11/66/856321166.db2.gz FPARMZXERXFGJR-MRXNPFEDSA-N 1 1 406.866 4.278 20 5 HIBDMO COCC[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426497799 856321172 /nfs/dbraw/zinc/32/11/72/856321172.db2.gz FPARMZXERXFGJR-MRXNPFEDSA-N 1 1 406.866 4.278 20 5 HIBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000426563938 856350769 /nfs/dbraw/zinc/35/07/69/856350769.db2.gz ZNHVVRFDCFFMCW-INIZCTEOSA-N 1 1 401.532 4.008 20 5 HIBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000428459546 857210193 /nfs/dbraw/zinc/21/01/93/857210193.db2.gz MMBKOYQIBZANHQ-HSZRJFAPSA-N 1 1 414.502 4.167 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000428884704 857388947 /nfs/dbraw/zinc/38/89/47/857388947.db2.gz HWZOKOPGCIVUNT-SJORKVTESA-N 1 1 412.490 4.179 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000429059896 857486218 /nfs/dbraw/zinc/48/62/18/857486218.db2.gz BJVUNEKSRVICHY-INIZCTEOSA-N 1 1 414.531 4.335 20 5 HIBDMO COc1ccc2cc(CN(C)C(=O)C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])ccc2c1 ZINC000429228271 857564068 /nfs/dbraw/zinc/56/40/68/857564068.db2.gz RZIWDVBUDQLIRZ-UHFFFAOYSA-N 1 1 421.497 4.240 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000429722769 857851348 /nfs/dbraw/zinc/85/13/48/857851348.db2.gz LXQYBHLETWFVPN-UHFFFAOYSA-N 1 1 415.465 4.052 20 5 HIBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000437640906 862969139 /nfs/dbraw/zinc/96/91/39/862969139.db2.gz NYORVMFBSYPWFG-IBGZPJMESA-N 1 1 410.474 4.189 20 5 HIBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000437640906 862969145 /nfs/dbraw/zinc/96/91/45/862969145.db2.gz NYORVMFBSYPWFG-IBGZPJMESA-N 1 1 410.474 4.189 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430639460 858244912 /nfs/dbraw/zinc/24/49/12/858244912.db2.gz FRJCNZPGDUDHGK-ZIFCJYIRSA-N 1 1 413.543 4.245 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000431866010 858845850 /nfs/dbraw/zinc/84/58/50/858845850.db2.gz DIMABBVGFQZSBG-SFHVURJKSA-N 1 1 404.898 4.085 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432039304 858944445 /nfs/dbraw/zinc/94/44/45/858944445.db2.gz VGTSRZOIYAMPJG-CABCVRRESA-N 1 1 410.499 4.447 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432039306 858944855 /nfs/dbraw/zinc/94/48/55/858944855.db2.gz VGTSRZOIYAMPJG-GJZGRUSLSA-N 1 1 410.499 4.447 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434622289 860436229 /nfs/dbraw/zinc/43/62/29/860436229.db2.gz CLKKINWHPUVWJR-NRFANRHFSA-N 1 1 403.454 4.400 20 5 HIBDMO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435290142 860721442 /nfs/dbraw/zinc/72/14/42/860721442.db2.gz JWUSNPZIPXMMCT-IBGZPJMESA-N 1 1 419.485 4.107 20 5 HIBDMO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000467858653 881710130 /nfs/dbraw/zinc/71/01/30/881710130.db2.gz KYROJFSWFBEGOW-ZHRRBRCNSA-N 1 1 410.495 4.439 20 5 HIBDMO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000467858652 881710705 /nfs/dbraw/zinc/71/07/05/881710705.db2.gz KYROJFSWFBEGOW-OPAMFIHVSA-N 1 1 410.495 4.439 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000439294621 864718699 /nfs/dbraw/zinc/71/86/99/864718699.db2.gz LSWZHQUXTJBWAW-XZOQPEGZSA-N 1 1 423.513 4.474 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000439911735 865219444 /nfs/dbraw/zinc/21/94/44/865219444.db2.gz JHWOEGSTZWAQDJ-OAHLLOKOSA-N 1 1 418.519 4.089 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000439910597 865219568 /nfs/dbraw/zinc/21/95/68/865219568.db2.gz HVWKGINBKJWLFF-DLBZAZTESA-N 1 1 404.511 4.112 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000440531592 865805837 /nfs/dbraw/zinc/80/58/37/865805837.db2.gz JUQGQWCVOSTKRT-GOSISDBHSA-N 1 1 407.470 4.325 20 5 HIBDMO C[C@@H](OC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441257025 866331110 /nfs/dbraw/zinc/33/11/10/866331110.db2.gz ANMSANZZOVISGC-QRWLVFNGSA-N 1 1 404.894 4.351 20 5 HIBDMO CCCN(C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441450409 866527496 /nfs/dbraw/zinc/52/74/96/866527496.db2.gz REWASTHIRQIRTQ-HDICACEKSA-N 1 1 411.502 4.261 20 5 HIBDMO CCCN(C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441450409 866527507 /nfs/dbraw/zinc/52/75/07/866527507.db2.gz REWASTHIRQIRTQ-HDICACEKSA-N 1 1 411.502 4.261 20 5 HIBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441829807 866889012 /nfs/dbraw/zinc/88/90/12/866889012.db2.gz YQGZKLGNPQVFKD-OAHLLOKOSA-N 1 1 410.499 4.317 20 5 HIBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442673210 867608450 /nfs/dbraw/zinc/60/84/50/867608450.db2.gz QPMZFEJCJQRQIA-QGZVFWFLSA-N 1 1 413.543 4.454 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073740 867811577 /nfs/dbraw/zinc/81/15/77/867811577.db2.gz WRPQCPSOYGPNCS-OXJNMPFZSA-N 1 1 400.475 4.182 20 5 HIBDMO CO[C@H](C)c1nc(CN2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000468238935 882135467 /nfs/dbraw/zinc/13/54/67/882135467.db2.gz ZLYCCUSPIKPVRX-JKSUJKDBSA-N 1 1 404.536 4.028 20 5 HIBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000443589581 868144438 /nfs/dbraw/zinc/14/44/38/868144438.db2.gz GTABCMJLSWOWPJ-KRWDZBQOSA-N 1 1 424.892 4.095 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444628389 868919477 /nfs/dbraw/zinc/91/94/77/868919477.db2.gz STGBMGZWRBYMPB-UHFFFAOYSA-N 1 1 408.437 4.065 20 5 HIBDMO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444777839 868998166 /nfs/dbraw/zinc/99/81/66/868998166.db2.gz GXRIJAFECINHRM-QGZVFWFLSA-N 1 1 407.392 4.076 20 5 HIBDMO Nc1c(F)c(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] ZINC000444870250 869067444 /nfs/dbraw/zinc/06/74/44/869067444.db2.gz KOATVOFWKQEYDQ-UHFFFAOYSA-N 1 1 411.437 4.048 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](Cc3coc(-c4ccccc4)n3)CC1)CCN2 ZINC000444872328 869068937 /nfs/dbraw/zinc/06/89/37/869068937.db2.gz KVEZDWMSQUELCZ-UHFFFAOYSA-N 1 1 419.485 4.294 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000444895231 869083374 /nfs/dbraw/zinc/08/33/74/869083374.db2.gz KAVZBRBWXHHHFS-WMZOPIPTSA-N 1 1 412.490 4.120 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177248 869260466 /nfs/dbraw/zinc/26/04/66/869260466.db2.gz GNWYDPPYKXSMDX-IEBWSBKVSA-N 1 1 411.505 4.247 20 5 HIBDMO CCC[N@@H+]1Cc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2C1 ZINC000445777657 869819074 /nfs/dbraw/zinc/81/90/74/869819074.db2.gz PSOZZQHNUACXRK-UHFFFAOYSA-N 1 1 418.291 4.264 20 5 HIBDMO CCC[N@H+]1Cc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2C1 ZINC000445777657 869819077 /nfs/dbraw/zinc/81/90/77/869819077.db2.gz PSOZZQHNUACXRK-UHFFFAOYSA-N 1 1 418.291 4.264 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000446043801 870004876 /nfs/dbraw/zinc/00/48/76/870004876.db2.gz DUHWEGKBYRBZPX-SFHVURJKSA-N 1 1 401.894 4.341 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000446043801 870004885 /nfs/dbraw/zinc/00/48/85/870004885.db2.gz DUHWEGKBYRBZPX-SFHVURJKSA-N 1 1 401.894 4.341 20 5 HIBDMO CCOc1cc(C[N@H+]2CCCC23CCC3)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000446839897 870758437 /nfs/dbraw/zinc/75/84/37/870758437.db2.gz VUXLPGVOOWVWOQ-UHFFFAOYSA-N 1 1 414.506 4.096 20 5 HIBDMO O=C(C[NH2+][C@H](c1ccccc1)c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000447341214 871237493 /nfs/dbraw/zinc/23/74/93/871237493.db2.gz OGJCSKZKOJXSAU-HSZRJFAPSA-N 1 1 405.429 4.002 20 5 HIBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC000447530089 871395283 /nfs/dbraw/zinc/39/52/83/871395283.db2.gz NFOFHZIOTGDXRT-RFQIGKHKSA-N 1 1 409.534 4.060 20 5 HIBDMO C[C@H](NC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1)c1ccccc1 ZINC000447545203 871411729 /nfs/dbraw/zinc/41/17/29/871411729.db2.gz WOZFVVXQCHYNSB-FDDCHVKYSA-N 1 1 409.530 4.462 20 5 HIBDMO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000447543552 871411980 /nfs/dbraw/zinc/41/19/80/871411980.db2.gz RRFLCBAZLXPWOS-ZHRRBRCNSA-N 1 1 412.509 4.214 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000468652798 882789145 /nfs/dbraw/zinc/78/91/45/882789145.db2.gz SKOFYKXHLWXTHH-YKRMCXMESA-N 1 1 409.530 4.488 20 5 HIBDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000468697519 882818869 /nfs/dbraw/zinc/81/88/69/882818869.db2.gz SZBOMPXDDZNNLN-CQSZACIVSA-N 1 1 420.428 4.183 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461438637 874491409 /nfs/dbraw/zinc/49/14/09/874491409.db2.gz YZBPPYCKGFFJDA-VJBWXMMDSA-N 1 1 421.541 4.144 20 5 HIBDMO Cc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000462164407 875260099 /nfs/dbraw/zinc/26/00/99/875260099.db2.gz MPTLIXQNRHWMPA-QHCPKHFHSA-N 1 1 424.522 4.494 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000462493457 875607104 /nfs/dbraw/zinc/60/71/04/875607104.db2.gz ZOZLTHMWPPMGIH-SFHVURJKSA-N 1 1 410.449 4.113 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000462742492 875812730 /nfs/dbraw/zinc/81/27/30/875812730.db2.gz FIACYGJJORMUCZ-HXUWFJFHSA-N 1 1 413.493 4.037 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000462742492 875812731 /nfs/dbraw/zinc/81/27/31/875812731.db2.gz FIACYGJJORMUCZ-HXUWFJFHSA-N 1 1 413.493 4.037 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000462983981 875997840 /nfs/dbraw/zinc/99/78/40/875997840.db2.gz BFJCSJYPYOYHFM-GMAHTHKFSA-N 1 1 424.545 4.072 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000462991200 876005767 /nfs/dbraw/zinc/00/57/67/876005767.db2.gz UISSVTHXYGFKEW-DENIHFKCSA-N 1 1 409.530 4.287 20 5 HIBDMO Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000463084390 876116305 /nfs/dbraw/zinc/11/63/05/876116305.db2.gz ABYNGGLRFAMGIB-SFHVURJKSA-N 1 1 408.506 4.005 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463520744 876588281 /nfs/dbraw/zinc/58/82/81/876588281.db2.gz VYRAYHJQPFXXQN-QGZVFWFLSA-N 1 1 421.419 4.398 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000463957860 877081749 /nfs/dbraw/zinc/08/17/49/877081749.db2.gz HNHSHMLJVZFZGU-MRXNPFEDSA-N 1 1 402.520 4.307 20 5 HIBDMO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])cc1F ZINC000464479841 877698959 /nfs/dbraw/zinc/69/89/59/877698959.db2.gz JKHDFHXJCULXCP-LBPRGKRZSA-N 1 1 402.401 4.227 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738689 877973912 /nfs/dbraw/zinc/97/39/12/877973912.db2.gz SZJNSCXXFKFKCG-GJZGRUSLSA-N 1 1 401.429 4.169 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000464824836 878078067 /nfs/dbraw/zinc/07/80/67/878078067.db2.gz BLRGHXFKHFTSGT-NRFANRHFSA-N 1 1 409.486 4.086 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000503455870 912480207 /nfs/dbraw/zinc/48/02/07/912480207.db2.gz AKBZTKGHNMZTEO-IBGZPJMESA-N 1 1 423.469 4.173 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000466020354 879705007 /nfs/dbraw/zinc/70/50/07/879705007.db2.gz YKOQSNJDXQNSEI-UHFFFAOYSA-N 1 1 408.458 4.450 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000466020354 879705017 /nfs/dbraw/zinc/70/50/17/879705017.db2.gz YKOQSNJDXQNSEI-UHFFFAOYSA-N 1 1 408.458 4.450 20 5 HIBDMO C[N@@H+](C[C@H]1CCCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140687 880883266 /nfs/dbraw/zinc/88/32/66/880883266.db2.gz ZBEYYJYRWZCJLN-FOIQADDNSA-N 1 1 417.893 4.286 20 5 HIBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467269456 881008748 /nfs/dbraw/zinc/00/87/48/881008748.db2.gz SCJZQXOGSMWQOV-UHFFFAOYSA-N 1 1 423.307 4.139 20 5 HIBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467269456 881008767 /nfs/dbraw/zinc/00/87/67/881008767.db2.gz SCJZQXOGSMWQOV-UHFFFAOYSA-N 1 1 423.307 4.139 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000467273269 881013581 /nfs/dbraw/zinc/01/35/81/881013581.db2.gz NWNHNBYFMYQLLW-LBPRGKRZSA-N 1 1 415.441 4.047 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000467273269 881013599 /nfs/dbraw/zinc/01/35/99/881013599.db2.gz NWNHNBYFMYQLLW-LBPRGKRZSA-N 1 1 415.441 4.047 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000469998380 884214752 /nfs/dbraw/zinc/21/47/52/884214752.db2.gz DPCAUEKWUXFISC-CQSZACIVSA-N 1 1 412.355 4.410 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000469998380 884214768 /nfs/dbraw/zinc/21/47/68/884214768.db2.gz DPCAUEKWUXFISC-CQSZACIVSA-N 1 1 412.355 4.410 20 5 HIBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000470134116 884399084 /nfs/dbraw/zinc/39/90/84/884399084.db2.gz QZQSDNBABNQFOP-UHFFFAOYSA-N 1 1 412.465 4.254 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000470170655 884449728 /nfs/dbraw/zinc/44/97/28/884449728.db2.gz YNUALNVRBDZUBP-UVTDQMKNSA-N 1 1 418.291 4.331 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000470170655 884449740 /nfs/dbraw/zinc/44/97/40/884449740.db2.gz YNUALNVRBDZUBP-UVTDQMKNSA-N 1 1 418.291 4.331 20 5 HIBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000470217853 884545590 /nfs/dbraw/zinc/54/55/90/884545590.db2.gz BBWWAJUAHABJGT-HXUWFJFHSA-N 1 1 422.529 4.011 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000470336925 884721763 /nfs/dbraw/zinc/72/17/63/884721763.db2.gz WFWQRAYTXGUODL-FQEVSTJZSA-N 1 1 404.850 4.032 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000470336925 884721783 /nfs/dbraw/zinc/72/17/83/884721783.db2.gz WFWQRAYTXGUODL-FQEVSTJZSA-N 1 1 404.850 4.032 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000471160607 885713274 /nfs/dbraw/zinc/71/32/74/885713274.db2.gz GRRLZAGNRMDHPD-UHFFFAOYSA-N 1 1 422.279 4.070 20 5 HIBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCSc2ccc(Br)cc21 ZINC000472234853 887042426 /nfs/dbraw/zinc/04/24/26/887042426.db2.gz UAAVOGVDFGUHNC-HNNXBMFYSA-N 1 1 411.325 4.113 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472350748 887186292 /nfs/dbraw/zinc/18/62/92/887186292.db2.gz QPXGNNLMCCIVNU-SZNDQCEHSA-N 1 1 401.438 4.154 20 5 HIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472460381 887318193 /nfs/dbraw/zinc/31/81/93/887318193.db2.gz CFNIGJIPSPGOTA-JOCHJYFZSA-N 1 1 420.513 4.389 20 5 HIBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472460381 887318207 /nfs/dbraw/zinc/31/82/07/887318207.db2.gz CFNIGJIPSPGOTA-JOCHJYFZSA-N 1 1 420.513 4.389 20 5 HIBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472460381 887318214 /nfs/dbraw/zinc/31/82/14/887318214.db2.gz CFNIGJIPSPGOTA-JOCHJYFZSA-N 1 1 420.513 4.389 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474230119 889073907 /nfs/dbraw/zinc/07/39/07/889073907.db2.gz HERFQCSHKIRLTA-UHFFFAOYSA-N 1 1 411.502 4.039 20 5 HIBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000475196350 890064329 /nfs/dbraw/zinc/06/43/29/890064329.db2.gz UTQKYDVEMYUTBN-QWHCGFSZSA-N 1 1 414.428 4.388 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000475332260 890252612 /nfs/dbraw/zinc/25/26/12/890252612.db2.gz JZGSQWHFMAWFHX-UHFFFAOYSA-N 1 1 423.382 4.091 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cs2)c1 ZINC000475352153 890274996 /nfs/dbraw/zinc/27/49/96/890274996.db2.gz SKGBORDKPOJIAV-BGYRXZFFSA-N 1 1 420.538 4.282 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000475627342 890565210 /nfs/dbraw/zinc/56/52/10/890565210.db2.gz QVNXCLAKLQMCQL-BTYIYWSLSA-N 1 1 418.877 4.420 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000477624273 892733432 /nfs/dbraw/zinc/73/34/32/892733432.db2.gz GFBZMILNCCWZRO-CQSZACIVSA-N 1 1 403.866 4.202 20 5 HIBDMO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000477693888 892813279 /nfs/dbraw/zinc/81/32/79/892813279.db2.gz OGWBSFPTBVTUST-CTNGQTDRSA-N 1 1 423.513 4.039 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl ZINC000478051321 893201069 /nfs/dbraw/zinc/20/10/69/893201069.db2.gz CKTWOJGRVCYAKA-UHFFFAOYSA-N 1 1 412.671 4.325 20 5 HIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000505061410 913799752 /nfs/dbraw/zinc/79/97/52/913799752.db2.gz LAUVHGFXCVTLNE-UHFFFAOYSA-N 1 1 422.489 4.197 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000479027810 894291720 /nfs/dbraw/zinc/29/17/20/894291720.db2.gz ZXQZHHWPXFSSAT-QGZVFWFLSA-N 1 1 403.504 4.257 20 5 HIBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000480024326 895373386 /nfs/dbraw/zinc/37/33/86/895373386.db2.gz YSCIMZNPWCQMIC-JXFKEZNVSA-N 1 1 411.502 4.037 20 5 HIBDMO Cc1c(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cccc1[N+](=O)[O-] ZINC000480063145 895412049 /nfs/dbraw/zinc/41/20/49/895412049.db2.gz FYCGEPOFWOVTOH-UHFFFAOYSA-N 1 1 422.529 4.101 20 5 HIBDMO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000480462070 895846012 /nfs/dbraw/zinc/84/60/12/895846012.db2.gz PUFLCANSDRNWGZ-UHFFFAOYSA-N 1 1 417.874 4.448 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC1 ZINC000480524886 895888837 /nfs/dbraw/zinc/88/88/37/895888837.db2.gz JKXLLGXSBQOPIQ-HSZRJFAPSA-N 1 1 422.529 4.153 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000481516979 896884387 /nfs/dbraw/zinc/88/43/87/896884387.db2.gz OIXQVUGXDRCVCY-BWAGFHJFSA-N 1 1 411.502 4.066 20 5 HIBDMO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000481545916 896908037 /nfs/dbraw/zinc/90/80/37/896908037.db2.gz RUSJYFXKQLAYJM-KPZWWZAWSA-N 1 1 402.838 4.164 20 5 HIBDMO CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000481709195 897098778 /nfs/dbraw/zinc/09/87/78/897098778.db2.gz CLKGZASCQYDIBI-KRWDZBQOSA-N 1 1 411.502 4.298 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000482492501 898071374 /nfs/dbraw/zinc/07/13/74/898071374.db2.gz WVXMOJGWRONPRE-GOSISDBHSA-N 1 1 421.419 4.254 20 5 HIBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000482935274 898556748 /nfs/dbraw/zinc/55/67/48/898556748.db2.gz STVOUEONMNNOFT-OAHLLOKOSA-N 1 1 410.499 4.317 20 5 HIBDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037883 898704816 /nfs/dbraw/zinc/70/48/16/898704816.db2.gz FGJJLQKKJDBDPA-GGAORHGYSA-N 1 1 411.502 4.474 20 5 HIBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC[C@@H]21 ZINC000483165491 898834360 /nfs/dbraw/zinc/83/43/60/898834360.db2.gz CGLPKYXEFVZCJM-KKSFZXQISA-N 1 1 410.474 4.335 20 5 HIBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC[C@H]21 ZINC000483165490 898834886 /nfs/dbraw/zinc/83/48/86/898834886.db2.gz CGLPKYXEFVZCJM-IIBYNOLFSA-N 1 1 410.474 4.335 20 5 HIBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483255767 898897632 /nfs/dbraw/zinc/89/76/32/898897632.db2.gz QPDBMSFMSBAZIH-CQSZACIVSA-N 1 1 419.197 4.199 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000483558760 899216502 /nfs/dbraw/zinc/21/65/02/899216502.db2.gz IDJXDBUTOMVZNP-QZTJIDSGSA-N 1 1 405.564 4.289 20 5 HIBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484969730 900329824 /nfs/dbraw/zinc/32/98/24/900329824.db2.gz NHRZWZJUMLSVHZ-IRXDYDNUSA-N 1 1 415.877 4.397 20 5 HIBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497919 900787123 /nfs/dbraw/zinc/78/71/23/900787123.db2.gz VUKZJANHOFIVRA-WBVHZDCISA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497919 900787128 /nfs/dbraw/zinc/78/71/28/900787128.db2.gz VUKZJANHOFIVRA-WBVHZDCISA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1cccc(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000485757903 901014737 /nfs/dbraw/zinc/01/47/37/901014737.db2.gz JXKVTLOMSQRPLB-LJQANCHMSA-N 1 1 413.543 4.129 20 5 HIBDMO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2OC)cc1 ZINC000486025695 901231837 /nfs/dbraw/zinc/23/18/37/901231837.db2.gz BXLZEVWJMUNHQR-QHCPKHFHSA-N 1 1 408.454 4.500 20 5 HIBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486704567 901804428 /nfs/dbraw/zinc/80/44/28/901804428.db2.gz GKCWMPJHCQCLBP-QGZVFWFLSA-N 1 1 421.419 4.142 20 5 HIBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486820613 901874366 /nfs/dbraw/zinc/87/43/66/901874366.db2.gz GIOOKZZZKPZQFZ-QXATTWAWSA-N 1 1 405.458 4.155 20 5 HIBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486825841 901878600 /nfs/dbraw/zinc/87/86/00/901878600.db2.gz OTNVIRNWCZHFGB-OPAMFIHVSA-N 1 1 408.433 4.338 20 5 HIBDMO COc1ccc(C[N@H+]2CCSC[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000488398101 902807778 /nfs/dbraw/zinc/80/77/78/902807778.db2.gz PDEGRGNDWMKSOI-INIZCTEOSA-N 1 1 402.516 4.367 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000488773104 902990085 /nfs/dbraw/zinc/99/00/85/902990085.db2.gz YFVMQMLHNNMRRY-JOCHJYFZSA-N 1 1 419.485 4.117 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000489574018 903472967 /nfs/dbraw/zinc/47/29/67/903472967.db2.gz RMAFVSOLBZFWPW-XAUMDUMWSA-N 1 1 416.547 4.408 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000489916103 903672331 /nfs/dbraw/zinc/67/23/31/903672331.db2.gz HFWBBEFGJIFQNA-LIRRHRJNSA-N 1 1 404.898 4.220 20 5 HIBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]2CCCC[C@@H]12 ZINC000490005089 903720836 /nfs/dbraw/zinc/72/08/36/903720836.db2.gz OLRBUACCAGBVCM-HNULKUCHSA-N 1 1 417.550 4.287 20 5 HIBDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490093382 903766968 /nfs/dbraw/zinc/76/69/68/903766968.db2.gz TWUGJKZPVNIJJZ-IBGZPJMESA-N 1 1 405.882 4.205 20 5 HIBDMO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000490139240 903787418 /nfs/dbraw/zinc/78/74/18/903787418.db2.gz YZIDPAAJGUYYPR-QFIPXVFZSA-N 1 1 410.495 4.019 20 5 HIBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342798 903936240 /nfs/dbraw/zinc/93/62/40/903936240.db2.gz VOPJFRRTFNDWFS-UONOGXRCSA-N 1 1 404.479 4.353 20 5 HIBDMO COc1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490550582 904094975 /nfs/dbraw/zinc/09/49/75/904094975.db2.gz WZLVHIBVMXQBSG-INIZCTEOSA-N 1 1 414.449 4.171 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000491377184 904567189 /nfs/dbraw/zinc/56/71/89/904567189.db2.gz VIBINUKVVROLKX-GOSISDBHSA-N 1 1 411.502 4.168 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000491423156 904588114 /nfs/dbraw/zinc/58/81/14/904588114.db2.gz LEDMVNOFPWLZPE-RXVVDRJESA-N 1 1 422.529 4.322 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000491603989 904670677 /nfs/dbraw/zinc/67/06/77/904670677.db2.gz IBBWKSUUUXRMCD-GOSISDBHSA-N 1 1 407.474 4.158 20 5 HIBDMO COc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1F ZINC000493601455 905170443 /nfs/dbraw/zinc/17/04/43/905170443.db2.gz HRPZEXWIXFORSI-NSHDSACASA-N 1 1 414.380 4.246 20 5 HIBDMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000493915371 905265158 /nfs/dbraw/zinc/26/51/58/905265158.db2.gz DLUVEDSQHYUPDN-UZCIPKQKSA-N 1 1 416.384 4.104 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)co2)cc1 ZINC000493961606 905311242 /nfs/dbraw/zinc/31/12/42/905311242.db2.gz QOJKWMUZMXBLGU-OALUTQOASA-N 1 1 401.369 4.148 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)co2)cc1 ZINC000493961609 905311992 /nfs/dbraw/zinc/31/19/92/905311992.db2.gz QOJKWMUZMXBLGU-RTBURBONSA-N 1 1 401.369 4.148 20 5 HIBDMO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000494448237 905733517 /nfs/dbraw/zinc/73/35/17/905733517.db2.gz FCQJJNKZLDIPPH-AWEZNQCLSA-N 1 1 411.424 4.405 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000494489043 905772981 /nfs/dbraw/zinc/77/29/81/905772981.db2.gz CCPZWCHKZGDTKD-SJLPKXTDSA-N 1 1 418.812 4.057 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000494495741 905784305 /nfs/dbraw/zinc/78/43/05/905784305.db2.gz OGSOBPCVDZGYDI-FUHWJXTLSA-N 1 1 418.812 4.057 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000495023406 906182972 /nfs/dbraw/zinc/18/29/72/906182972.db2.gz GVAVBYZQMFIUKD-RXVVDRJESA-N 1 1 422.529 4.322 20 5 HIBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@@H]2C1 ZINC000495092894 906232679 /nfs/dbraw/zinc/23/26/79/906232679.db2.gz YGAIHXQRSMCHSC-FZKQIMNGSA-N 1 1 420.307 4.143 20 5 HIBDMO CN1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@@H]2C1 ZINC000495092894 906232697 /nfs/dbraw/zinc/23/26/97/906232697.db2.gz YGAIHXQRSMCHSC-FZKQIMNGSA-N 1 1 420.307 4.143 20 5 HIBDMO CN1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@@H]2C1 ZINC000495092894 906232715 /nfs/dbraw/zinc/23/27/15/906232715.db2.gz YGAIHXQRSMCHSC-FZKQIMNGSA-N 1 1 420.307 4.143 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1Cc1ccccc1 ZINC000512546415 921227255 /nfs/dbraw/zinc/22/72/55/921227255.db2.gz VDAOPYHQIXXLRN-WMZOPIPTSA-N 1 1 406.486 4.107 20 5 HIBDMO CN(C(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000495395912 906425598 /nfs/dbraw/zinc/42/55/98/906425598.db2.gz JVLFTURTOWQMDA-UHFFFAOYSA-N 1 1 407.392 4.241 20 5 HIBDMO CN(C(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000495395912 906425604 /nfs/dbraw/zinc/42/56/04/906425604.db2.gz JVLFTURTOWQMDA-UHFFFAOYSA-N 1 1 407.392 4.241 20 5 HIBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497101896 906805425 /nfs/dbraw/zinc/80/54/25/906805425.db2.gz ZFYDZCPXJPCKOC-FPOVZHCZSA-N 1 1 414.502 4.165 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000497439678 906912169 /nfs/dbraw/zinc/91/21/69/906912169.db2.gz WRCWDCHUQKKHHE-UHFFFAOYSA-N 1 1 401.551 4.233 20 5 HIBDMO COc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000512658635 921277923 /nfs/dbraw/zinc/27/79/23/921277923.db2.gz WYEYYFBNJDRTJC-UHFFFAOYSA-N 1 1 422.485 4.285 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512800654 921314122 /nfs/dbraw/zinc/31/41/22/921314122.db2.gz FVTJMOAWRPXHCS-DNVCBOLYSA-N 1 1 419.428 4.144 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512800654 921314123 /nfs/dbraw/zinc/31/41/23/921314123.db2.gz FVTJMOAWRPXHCS-DNVCBOLYSA-N 1 1 419.428 4.144 20 5 HIBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)C[C@@H](C)O1 ZINC000498137676 907658551 /nfs/dbraw/zinc/65/85/51/907658551.db2.gz BXOALIZGRZQWRD-HZPDHXFCSA-N 1 1 420.469 4.005 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C2CC2)c1 ZINC000498386713 907873638 /nfs/dbraw/zinc/87/36/38/907873638.db2.gz KCIUNURHVNAQMK-PZJWPPBQSA-N 1 1 410.474 4.011 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000498559364 908018874 /nfs/dbraw/zinc/01/88/74/908018874.db2.gz IIMQDAQTGNBJAN-TZIWHRDSSA-N 1 1 410.474 4.011 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000498559362 908019895 /nfs/dbraw/zinc/01/98/95/908019895.db2.gz IIMQDAQTGNBJAN-FPOVZHCZSA-N 1 1 410.474 4.011 20 5 HIBDMO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498718732 908143802 /nfs/dbraw/zinc/14/38/02/908143802.db2.gz TXMAFJRBSJGGKI-ICSRJNTNSA-N 1 1 422.529 4.179 20 5 HIBDMO Cc1csc(Sc2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000499184739 908539112 /nfs/dbraw/zinc/53/91/12/908539112.db2.gz UMTCQXSANAACBM-CQSZACIVSA-N 1 1 420.560 4.115 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000513120960 921565706 /nfs/dbraw/zinc/56/57/06/921565706.db2.gz WEVZOXUGIDTDRO-FQEVSTJZSA-N 1 1 406.486 4.107 20 5 HIBDMO Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000501716025 910783289 /nfs/dbraw/zinc/78/32/89/910783289.db2.gz MBCKCTRFIHQDNI-SFHVURJKSA-N 1 1 411.506 4.135 20 5 HIBDMO Cc1c(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000502355247 911336181 /nfs/dbraw/zinc/33/61/81/911336181.db2.gz SPZRUFDDIPGPCG-LJQANCHMSA-N 1 1 419.485 4.258 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513259578 921664720 /nfs/dbraw/zinc/66/47/20/921664720.db2.gz CNDCGQWECQAOOY-IBGZPJMESA-N 1 1 422.510 4.113 20 5 HIBDMO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502918546 911903776 /nfs/dbraw/zinc/90/37/76/911903776.db2.gz JNOSOEWVTMSOIZ-INIZCTEOSA-N 1 1 423.473 4.274 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(c4ncnc5sccc54)CC3)o2)c1 ZINC000506339900 914956395 /nfs/dbraw/zinc/95/63/95/914956395.db2.gz KOVQKVCMFUECGU-UHFFFAOYSA-N 1 1 421.482 4.182 20 5 HIBDMO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506459054 915058424 /nfs/dbraw/zinc/05/84/24/915058424.db2.gz GGMXXYJFYUHAQL-UHFFFAOYSA-N 1 1 411.502 4.469 20 5 HIBDMO COc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000506560329 915207513 /nfs/dbraw/zinc/20/75/13/915207513.db2.gz IVCAALCPXWMDKP-SFHVURJKSA-N 1 1 412.486 4.183 20 5 HIBDMO CCN1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506689084 915367230 /nfs/dbraw/zinc/36/72/30/915367230.db2.gz IYAMWIDNGHHWMD-UHFFFAOYSA-N 1 1 419.529 4.364 20 5 HIBDMO CCN1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506689084 915367250 /nfs/dbraw/zinc/36/72/50/915367250.db2.gz IYAMWIDNGHHWMD-UHFFFAOYSA-N 1 1 419.529 4.364 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000507305303 916068089 /nfs/dbraw/zinc/06/80/89/916068089.db2.gz UPVPZZXXPZJXJT-BEFAXECRSA-N 1 1 403.548 4.186 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000507443817 916213937 /nfs/dbraw/zinc/21/39/37/916213937.db2.gz YONKHGJLFWBHAW-KDURUIRLSA-N 1 1 419.569 4.027 20 5 HIBDMO COc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OCC(C)C ZINC000507894388 916749386 /nfs/dbraw/zinc/74/93/86/916749386.db2.gz IOVRDTXPBXDHNP-HNNXBMFYSA-N 1 1 416.474 4.356 20 5 HIBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000507951060 916813040 /nfs/dbraw/zinc/81/30/40/916813040.db2.gz MTTGOCLASZLRFC-AWEZNQCLSA-N 1 1 400.385 4.303 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)cc1 ZINC000508020552 916857474 /nfs/dbraw/zinc/85/74/74/916857474.db2.gz HQMUMVMFPAPCCN-QGZVFWFLSA-N 1 1 400.385 4.270 20 5 HIBDMO COCC[N@@H+](C)CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000508240402 917058123 /nfs/dbraw/zinc/05/81/23/917058123.db2.gz NBUDIHYIGKPVDQ-SFHVURJKSA-N 1 1 420.897 4.079 20 5 HIBDMO O=C1CCCN1C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000509617215 918266664 /nfs/dbraw/zinc/26/66/64/918266664.db2.gz JLYBQBSOYCGFRF-QGZVFWFLSA-N 1 1 407.392 4.067 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000510895981 919393673 /nfs/dbraw/zinc/39/36/73/919393673.db2.gz SJCZGVBXVFMFHG-IBGZPJMESA-N 1 1 424.545 4.353 20 5 HIBDMO COc1cc(C[NH+]2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000511525500 920144466 /nfs/dbraw/zinc/14/44/66/920144466.db2.gz VISGJKRPOOSYAP-UHFFFAOYSA-N 1 1 422.485 4.285 20 5 HIBDMO CC[N@@H+](Cc1cnn(C)c1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000511630608 920292518 /nfs/dbraw/zinc/29/25/18/920292518.db2.gz ROTUNNXRGIXTCG-UHFFFAOYSA-N 1 1 416.485 4.203 20 5 HIBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000511713341 920378336 /nfs/dbraw/zinc/37/83/36/920378336.db2.gz OKMFTZJEHJAYTA-IBGZPJMESA-N 1 1 413.543 4.347 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)o2)c1 ZINC000511765090 920449588 /nfs/dbraw/zinc/44/95/88/920449588.db2.gz LXZCGXIRKLNRFL-YPAWHYETSA-N 1 1 419.481 4.297 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000511766793 920452184 /nfs/dbraw/zinc/45/21/84/920452184.db2.gz APMFPYKNRWIESC-OAQYLSRUSA-N 1 1 407.470 4.372 20 5 HIBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000512163099 920899513 /nfs/dbraw/zinc/89/95/13/920899513.db2.gz DVOMLVCVVFMQOP-OAQYLSRUSA-N 1 1 410.518 4.037 20 5 HIBDMO COc1cc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1F ZINC000512228038 920980113 /nfs/dbraw/zinc/98/01/13/920980113.db2.gz NDQTZHLLAXQEDY-HNNXBMFYSA-N 1 1 403.237 4.263 20 5 HIBDMO CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000513472748 921831799 /nfs/dbraw/zinc/83/17/99/921831799.db2.gz LKYNCRMKCDBZQN-HSZRJFAPSA-N 1 1 417.513 4.116 20 5 HIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000513472748 921831803 /nfs/dbraw/zinc/83/18/03/921831803.db2.gz LKYNCRMKCDBZQN-HSZRJFAPSA-N 1 1 417.513 4.116 20 5 HIBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000513472748 921831811 /nfs/dbraw/zinc/83/18/11/921831811.db2.gz LKYNCRMKCDBZQN-HSZRJFAPSA-N 1 1 417.513 4.116 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000513914755 922237034 /nfs/dbraw/zinc/23/70/34/922237034.db2.gz JIBDTBXLMOTQSN-IBGZPJMESA-N 1 1 401.894 4.279 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000513914675 922237833 /nfs/dbraw/zinc/23/78/33/922237833.db2.gz IJDLOXUOYJYKJA-QFIPXVFZSA-N 1 1 424.545 4.204 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)c1ccccc1 ZINC000515389750 923077118 /nfs/dbraw/zinc/07/71/18/923077118.db2.gz LLUXTBOWXABSFN-HNNXBMFYSA-N 1 1 421.419 4.256 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)c1ccccc1 ZINC000515389750 923077123 /nfs/dbraw/zinc/07/71/23/923077123.db2.gz LLUXTBOWXABSFN-HNNXBMFYSA-N 1 1 421.419 4.256 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)CCO1 ZINC000516807738 923894941 /nfs/dbraw/zinc/89/49/41/923894941.db2.gz BVOHEVFEPOKKSA-CQSZACIVSA-N 1 1 409.408 4.446 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)CCO1 ZINC000516807738 923894953 /nfs/dbraw/zinc/89/49/53/923894953.db2.gz BVOHEVFEPOKKSA-CQSZACIVSA-N 1 1 409.408 4.446 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000518365663 927222934 /nfs/dbraw/zinc/22/29/34/927222934.db2.gz PUWKCYGAEHADDX-MRXNPFEDSA-N 1 1 422.510 4.065 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000518365663 927222947 /nfs/dbraw/zinc/22/29/47/927222947.db2.gz PUWKCYGAEHADDX-MRXNPFEDSA-N 1 1 422.510 4.065 20 5 HIBDMO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000518749710 927474367 /nfs/dbraw/zinc/47/43/67/927474367.db2.gz MOHWJKYGAKLGNZ-MRXNPFEDSA-N 1 1 402.458 4.256 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1SC ZINC000520359775 928519873 /nfs/dbraw/zinc/51/98/73/928519873.db2.gz ZDELOGSXECEDJY-UHFFFAOYSA-N 1 1 417.531 4.096 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000521240427 929074691 /nfs/dbraw/zinc/07/46/91/929074691.db2.gz RHAWCXABZXTHDJ-HOTGVXAUSA-N 1 1 415.515 4.107 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524653286 929765962 /nfs/dbraw/zinc/76/59/62/929765962.db2.gz SGBJYTIRPWHCDU-CJNGLKHVSA-N 1 1 403.866 4.253 20 5 HIBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000524892772 929876017 /nfs/dbraw/zinc/87/60/17/929876017.db2.gz MQYAEHCNPGRRFD-PMACEKPBSA-N 1 1 404.507 4.411 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000525057925 930008535 /nfs/dbraw/zinc/00/85/35/930008535.db2.gz YYRSBWDUSGEVPG-IERDGZPVSA-N 1 1 416.547 4.048 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C1 ZINC000525799359 930448614 /nfs/dbraw/zinc/44/86/14/930448614.db2.gz QWKXWFCYSSRJAE-HNNXBMFYSA-N 1 1 408.458 4.049 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](OCCO)C2)ccc1Oc1ccccc1Cl ZINC000527362962 930647697 /nfs/dbraw/zinc/64/76/97/930647697.db2.gz GZJDDOFOJMQLMG-INIZCTEOSA-N 1 1 406.866 4.014 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](OCCO)C2)ccc1Oc1ccccc1Cl ZINC000527362962 930647703 /nfs/dbraw/zinc/64/77/03/930647703.db2.gz GZJDDOFOJMQLMG-INIZCTEOSA-N 1 1 406.866 4.014 20 5 HIBDMO COc1cc(C[NH+]2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000530963848 930869313 /nfs/dbraw/zinc/86/93/13/930869313.db2.gz DCNOLEQSHMYOPM-UHFFFAOYSA-N 1 1 414.449 4.376 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000532215175 931355923 /nfs/dbraw/zinc/35/59/23/931355923.db2.gz WDYXRAFMHSRSJL-SJORKVTESA-N 1 1 400.498 4.206 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000532215114 931356402 /nfs/dbraw/zinc/35/64/02/931356402.db2.gz WDYXRAFMHSRSJL-DLBZAZTESA-N 1 1 400.498 4.206 20 5 HIBDMO CN(C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532625936 931558906 /nfs/dbraw/zinc/55/89/06/931558906.db2.gz YBKGMTWZAHUFLN-HNNXBMFYSA-N 1 1 410.499 4.047 20 5 HIBDMO CN(C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532625936 931558910 /nfs/dbraw/zinc/55/89/10/931558910.db2.gz YBKGMTWZAHUFLN-HNNXBMFYSA-N 1 1 410.499 4.047 20 5 HIBDMO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000532669678 931577424 /nfs/dbraw/zinc/57/74/24/931577424.db2.gz OLLRXDWOFMDZOD-MRXNPFEDSA-N 1 1 423.542 4.429 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4ccccc4Cl)CC3)o2)c1 ZINC000532758782 931624484 /nfs/dbraw/zinc/62/44/84/931624484.db2.gz UDXYZCOPUGHSEZ-UHFFFAOYSA-N 1 1 412.877 4.268 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000532967151 931717048 /nfs/dbraw/zinc/71/70/48/931717048.db2.gz GUWZDCJCXSKPRT-GOSISDBHSA-N 1 1 401.463 4.451 20 5 HIBDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000533029276 931745281 /nfs/dbraw/zinc/74/52/81/931745281.db2.gz USUJPASHSUPBAO-UHFFFAOYSA-N 1 1 416.481 4.063 20 5 HIBDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000533029276 931745288 /nfs/dbraw/zinc/74/52/88/931745288.db2.gz USUJPASHSUPBAO-UHFFFAOYSA-N 1 1 416.481 4.063 20 5 HIBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000533047757 931752119 /nfs/dbraw/zinc/75/21/19/931752119.db2.gz NNULPAFQEYPGGT-INIZCTEOSA-N 1 1 412.421 4.042 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000533303465 931833479 /nfs/dbraw/zinc/83/34/79/931833479.db2.gz YGRDWYGWVIRJSX-HNNXBMFYSA-N 1 1 403.866 4.075 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000533410814 931861149 /nfs/dbraw/zinc/86/11/49/931861149.db2.gz GQHSIJZNEJHAJK-UHFFFAOYSA-N 1 1 409.486 4.221 20 5 HIBDMO O=C(C[N@H+](Cc1ccccc1)CC1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533424287 931863413 /nfs/dbraw/zinc/86/34/13/931863413.db2.gz PGDDYHMJXACYKA-UHFFFAOYSA-N 1 1 417.893 4.116 20 5 HIBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533533128 931895967 /nfs/dbraw/zinc/89/59/67/931895967.db2.gz UNQYOTGBRBMSKT-UHFFFAOYSA-N 1 1 403.552 4.369 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000534541280 932553190 /nfs/dbraw/zinc/55/31/90/932553190.db2.gz JHFPWSZQTQNHIT-KRWDZBQOSA-N 1 1 417.893 4.081 20 5 HIBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000534959411 932860098 /nfs/dbraw/zinc/86/00/98/932860098.db2.gz GZXBLSPGCLDZNT-GHTZIAJQSA-N 1 1 418.497 4.203 20 5 HIBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000534959416 932860170 /nfs/dbraw/zinc/86/01/70/932860170.db2.gz GZXBLSPGCLDZNT-WIYYLYMNSA-N 1 1 418.497 4.203 20 5 HIBDMO C[N@@H+](C[C@@H]1CCC[C@H]1O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000535115187 932932252 /nfs/dbraw/zinc/93/22/52/932932252.db2.gz DLLQEDFSEOQJAE-CWFSZBLJSA-N 1 1 417.893 4.021 20 5 HIBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)nc2c1 ZINC000535665731 933309407 /nfs/dbraw/zinc/30/94/07/933309407.db2.gz LVFVZLFLBFOGNG-KRWDZBQOSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000535665731 933309420 /nfs/dbraw/zinc/30/94/20/933309420.db2.gz LVFVZLFLBFOGNG-KRWDZBQOSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000535665731 933309435 /nfs/dbraw/zinc/30/94/35/933309435.db2.gz LVFVZLFLBFOGNG-KRWDZBQOSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)C3)nc2c1 ZINC000535666828 933313060 /nfs/dbraw/zinc/31/30/60/933313060.db2.gz ZHVLORMUCFXSPA-MRXNPFEDSA-N 1 1 418.457 4.209 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)C3)[nH]c2c1 ZINC000535666828 933313065 /nfs/dbraw/zinc/31/30/65/933313065.db2.gz ZHVLORMUCFXSPA-MRXNPFEDSA-N 1 1 418.457 4.209 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)C3)[nH]c2c1 ZINC000535666828 933313082 /nfs/dbraw/zinc/31/30/82/933313082.db2.gz ZHVLORMUCFXSPA-MRXNPFEDSA-N 1 1 418.457 4.209 20 5 HIBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535693959 933348803 /nfs/dbraw/zinc/34/88/03/933348803.db2.gz DHUAEGCJDPAEES-UHFFFAOYSA-N 1 1 418.453 4.231 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535693959 933348814 /nfs/dbraw/zinc/34/88/14/933348814.db2.gz DHUAEGCJDPAEES-UHFFFAOYSA-N 1 1 418.453 4.231 20 5 HIBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535695139 933349121 /nfs/dbraw/zinc/34/91/21/933349121.db2.gz WPEAALHDUHUHOC-AYHJJNSGSA-N 1 1 404.470 4.002 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000562854255 945127072 /nfs/dbraw/zinc/12/70/72/945127072.db2.gz CJXPNLXFEYETLY-FQEVSTJZSA-N 1 1 419.510 4.374 20 5 HIBDMO COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537619196 938335130 /nfs/dbraw/zinc/33/51/30/938335130.db2.gz ZNJYZAGCFJZJBS-UHFFFAOYSA-N 1 1 414.502 4.431 20 5 HIBDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537660873 938348941 /nfs/dbraw/zinc/34/89/41/938348941.db2.gz KECRRIZBLXUYRZ-GOSISDBHSA-N 1 1 412.877 4.302 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000538180018 938540310 /nfs/dbraw/zinc/54/03/10/938540310.db2.gz QGHPBZYRMDWLRX-MRXNPFEDSA-N 1 1 403.438 4.115 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)c1ccccc1Br ZINC000538225059 938564064 /nfs/dbraw/zinc/56/40/64/938564064.db2.gz RTUDKUICIKBCIN-UHFFFAOYSA-N 1 1 406.280 4.129 20 5 HIBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538716932 938688870 /nfs/dbraw/zinc/68/88/70/938688870.db2.gz NZWIDNNCGFKLFV-XLIONFOSSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538749964 938701525 /nfs/dbraw/zinc/70/15/25/938701525.db2.gz QGCXUJIKMRTSTO-WOJBJXKFSA-N 1 1 412.486 4.041 20 5 HIBDMO COc1ccccc1[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000539059543 938787369 /nfs/dbraw/zinc/78/73/69/938787369.db2.gz PPDPCESDFUUYAW-QRQCRPRQSA-N 1 1 409.442 4.293 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539278171 938832254 /nfs/dbraw/zinc/83/22/54/938832254.db2.gz GAVVQVHCHPXZDR-MRXNPFEDSA-N 1 1 411.380 4.215 20 5 HIBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000539623967 938889571 /nfs/dbraw/zinc/88/95/71/938889571.db2.gz ZFOSDCWXSLHFMR-UHFFFAOYSA-N 1 1 414.425 4.040 20 5 HIBDMO COc1ccc(-c2ccc(CNc3ccc(N4CCOCC4)[nH+]c3C)o2)c([N+](=O)[O-])c1 ZINC000539694532 938904328 /nfs/dbraw/zinc/90/43/28/938904328.db2.gz LCZRIQUWYOIALZ-UHFFFAOYSA-N 1 1 424.457 4.016 20 5 HIBDMO COc1cc(C[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539862342 938960824 /nfs/dbraw/zinc/96/08/24/938960824.db2.gz GLSOJULRJDDVHC-UHFFFAOYSA-N 1 1 412.486 4.185 20 5 HIBDMO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@@H]2C1 ZINC000539901128 938973609 /nfs/dbraw/zinc/97/36/09/938973609.db2.gz OYUGAMXFVQJTPJ-LXGCGDOSSA-N 1 1 406.866 4.277 20 5 HIBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@@H]2C1 ZINC000539901128 938973613 /nfs/dbraw/zinc/97/36/13/938973613.db2.gz OYUGAMXFVQJTPJ-LXGCGDOSSA-N 1 1 406.866 4.277 20 5 HIBDMO CC[N@@H+](CCC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1)CC1CC1 ZINC000540030421 939044590 /nfs/dbraw/zinc/04/45/90/939044590.db2.gz SRKCEVNPQUSYIN-UHFFFAOYSA-N 1 1 411.344 4.091 20 5 HIBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OCc2cccnc2)cc1 ZINC000540325654 939195140 /nfs/dbraw/zinc/19/51/40/939195140.db2.gz RSXVIGUKCZMFIQ-MRXNPFEDSA-N 1 1 421.453 4.286 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000540354131 939204733 /nfs/dbraw/zinc/20/47/33/939204733.db2.gz MFBBZOAZFGGHEA-INIZCTEOSA-N 1 1 423.469 4.437 20 5 HIBDMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000540374869 939215314 /nfs/dbraw/zinc/21/53/14/939215314.db2.gz TZKKSJJNUGFABG-OAHLLOKOSA-N 1 1 401.772 4.470 20 5 HIBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OCC2CC2)c(F)c1 ZINC000540425160 939244336 /nfs/dbraw/zinc/24/43/36/939244336.db2.gz WEUGGVSYUBSLIF-ZDUSSCGKSA-N 1 1 402.422 4.240 20 5 HIBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540602047 939316497 /nfs/dbraw/zinc/31/64/97/939316497.db2.gz CSLGBJPADPOMPL-HWKANZROSA-N 1 1 411.771 4.113 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOCC4(CC4)C3)o2)c(Br)c1 ZINC000541247961 939487528 /nfs/dbraw/zinc/48/75/28/939487528.db2.gz YLOYCZIMVDPIED-UHFFFAOYSA-N 1 1 407.264 4.230 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000542918024 939877323 /nfs/dbraw/zinc/87/73/23/939877323.db2.gz VBPVRRQOIXUOPO-AEFFLSMTSA-N 1 1 406.523 4.277 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000543843094 940206000 /nfs/dbraw/zinc/20/60/00/940206000.db2.gz PCDWYHOEEARIIW-ZWOKBUDYSA-N 1 1 416.522 4.308 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000543843094 940206004 /nfs/dbraw/zinc/20/60/04/940206004.db2.gz PCDWYHOEEARIIW-ZWOKBUDYSA-N 1 1 416.522 4.308 20 5 HIBDMO Nc1ccc(-c2noc([C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)n2)cc1[N+](=O)[O-] ZINC000544930538 940526228 /nfs/dbraw/zinc/52/62/28/940526228.db2.gz FKQWITYULIFBAQ-HNNXBMFYSA-N 1 1 408.462 4.201 20 5 HIBDMO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545830616 940619388 /nfs/dbraw/zinc/61/93/88/940619388.db2.gz BKCGRVOYKDMDIY-FUHWJXTLSA-N 1 1 413.493 4.038 20 5 HIBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000546570821 940855400 /nfs/dbraw/zinc/85/54/00/940855400.db2.gz ZYXFDHCJMZWXRK-HNNXBMFYSA-N 1 1 419.522 4.101 20 5 HIBDMO O=[N+]([O-])c1cccc(Oc2ccc(-c3noc([C@@H]4CCn5c[nH+]cc5C4)n3)cc2)c1 ZINC000547197064 941028593 /nfs/dbraw/zinc/02/85/93/941028593.db2.gz ZWNFNSVBDPFAPK-OAHLLOKOSA-N 1 1 403.398 4.364 20 5 HIBDMO COc1cc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000548908936 941128750 /nfs/dbraw/zinc/12/87/50/941128750.db2.gz FVAVNNQMIZMBNS-FQEVSTJZSA-N 1 1 413.518 4.002 20 5 HIBDMO COc1cc(CNC[C@@H]2CC[N@H+](C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000548908936 941128751 /nfs/dbraw/zinc/12/87/51/941128751.db2.gz FVAVNNQMIZMBNS-FQEVSTJZSA-N 1 1 413.518 4.002 20 5 HIBDMO CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000549862657 941218976 /nfs/dbraw/zinc/21/89/76/941218976.db2.gz YLQFVFYKBMZJBM-UHFFFAOYSA-N 1 1 414.554 4.066 20 5 HIBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000551039942 941399533 /nfs/dbraw/zinc/39/95/33/941399533.db2.gz QIRVPZYWGODMCQ-INMHGKMJSA-N 1 1 414.449 4.110 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(CO)(c4ccccc4)CC3)cs2)c1 ZINC000552071909 941579556 /nfs/dbraw/zinc/57/95/56/941579556.db2.gz IKJHNBCZYROJOR-UHFFFAOYSA-N 1 1 409.511 4.244 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H](CO)CC2)cc1 ZINC000552146386 941593748 /nfs/dbraw/zinc/59/37/48/941593748.db2.gz CYVMVZZWSZJUGC-SFHVURJKSA-N 1 1 406.486 4.042 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3Cn3cnc4ccccc43)co2)cc1 ZINC000552156432 941595087 /nfs/dbraw/zinc/59/50/87/941595087.db2.gz FTOGVZMGIWNSRL-LJQANCHMSA-N 1 1 403.442 4.264 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553175298 941844781 /nfs/dbraw/zinc/84/47/81/941844781.db2.gz ZHMQQWXZRGJONM-RCZVLFRGSA-N 1 1 421.541 4.288 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)ccc1Oc1ccc(F)cc1 ZINC000553801458 941972680 /nfs/dbraw/zinc/97/26/80/941972680.db2.gz XESYOZNHTPPOPM-LJQANCHMSA-N 1 1 400.381 4.489 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000553929785 942001188 /nfs/dbraw/zinc/00/11/88/942001188.db2.gz PDBDNIAOFHAQLK-GOSISDBHSA-N 1 1 413.478 4.110 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000553929785 942001196 /nfs/dbraw/zinc/00/11/96/942001196.db2.gz PDBDNIAOFHAQLK-GOSISDBHSA-N 1 1 413.478 4.110 20 5 HIBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554303076 942096218 /nfs/dbraw/zinc/09/62/18/942096218.db2.gz NDYSRSYYYLWBRL-OALUTQOASA-N 1 1 408.458 4.323 20 5 HIBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554303076 942096224 /nfs/dbraw/zinc/09/62/24/942096224.db2.gz NDYSRSYYYLWBRL-OALUTQOASA-N 1 1 408.458 4.323 20 5 HIBDMO COc1ccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000554606477 942174821 /nfs/dbraw/zinc/17/48/21/942174821.db2.gz QHFONIDRBFTREB-HXUWFJFHSA-N 1 1 413.518 4.002 20 5 HIBDMO COc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000554606477 942174828 /nfs/dbraw/zinc/17/48/28/942174828.db2.gz QHFONIDRBFTREB-HXUWFJFHSA-N 1 1 413.518 4.002 20 5 HIBDMO Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)cc1[N+](=O)[O-] ZINC000555231036 942438839 /nfs/dbraw/zinc/43/88/39/942438839.db2.gz JZCVAKRDSQXULX-IBGZPJMESA-N 1 1 413.493 4.383 20 5 HIBDMO CC(=O)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000555231682 942438883 /nfs/dbraw/zinc/43/88/83/942438883.db2.gz AIOFTRCYELCOEN-NRFANRHFSA-N 1 1 423.513 4.138 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000555567562 942646898 /nfs/dbraw/zinc/64/68/98/942646898.db2.gz OQFQCUYAKOGPAS-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556870980 942945759 /nfs/dbraw/zinc/94/57/59/942945759.db2.gz PZUXNENJPLIIFX-HXUWFJFHSA-N 1 1 414.893 4.438 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)Oc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000556915748 942964030 /nfs/dbraw/zinc/96/40/30/942964030.db2.gz UBVIBQWSAGYOCK-LJQANCHMSA-N 1 1 416.428 4.143 20 5 HIBDMO C[C@H](CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000558419632 943554723 /nfs/dbraw/zinc/55/47/23/943554723.db2.gz DIIJKNQJMHNQEY-CQSZACIVSA-N 1 1 409.408 4.254 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000558417909 943554888 /nfs/dbraw/zinc/55/48/88/943554888.db2.gz KQGDXVDHDNPMCJ-HSZRJFAPSA-N 1 1 414.502 4.309 20 5 HIBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000559552697 944002283 /nfs/dbraw/zinc/00/22/83/944002283.db2.gz YDLMFWMEUJXFRX-GUTXKFCHSA-N 1 1 424.339 4.143 20 5 HIBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000561260027 944531512 /nfs/dbraw/zinc/53/15/12/944531512.db2.gz ZNULVFGXTANVAI-FUHWJXTLSA-N 1 1 409.515 4.090 20 5 HIBDMO C[N@@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561282844 944539499 /nfs/dbraw/zinc/53/94/99/944539499.db2.gz JYGTUUYHWLSQHJ-UKRRQHHQSA-N 1 1 407.858 4.249 20 5 HIBDMO C[N@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561282844 944539504 /nfs/dbraw/zinc/53/95/04/944539504.db2.gz JYGTUUYHWLSQHJ-UKRRQHHQSA-N 1 1 407.858 4.249 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000561396530 944577649 /nfs/dbraw/zinc/57/76/49/944577649.db2.gz OKCLMDOSNZUAQJ-HSZRJFAPSA-N 1 1 410.445 4.421 20 5 HIBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764374 944786864 /nfs/dbraw/zinc/78/68/64/944786864.db2.gz JEODSCWPBROCLU-IUKKYPGJSA-N 1 1 422.529 4.009 20 5 HIBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 ZINC000564255083 945471493 /nfs/dbraw/zinc/47/14/93/945471493.db2.gz YXVVJXXMTXJIHI-UGKGYDQZSA-N 1 1 421.457 4.314 20 5 HIBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 ZINC000564255080 945472222 /nfs/dbraw/zinc/47/22/22/945472222.db2.gz YXVVJXXMTXJIHI-KNQAVFIVSA-N 1 1 421.457 4.314 20 5 HIBDMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000565099380 945774400 /nfs/dbraw/zinc/77/44/00/945774400.db2.gz ZILROVGHWVGPJR-LBPRGKRZSA-N 1 1 403.895 4.136 20 5 HIBDMO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328281 946509888 /nfs/dbraw/zinc/50/98/88/946509888.db2.gz OALMDMDULZAEER-WZONZLPQSA-N 1 1 419.529 4.220 20 5 HIBDMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328281 946509901 /nfs/dbraw/zinc/50/99/01/946509901.db2.gz OALMDMDULZAEER-WZONZLPQSA-N 1 1 419.529 4.220 20 5 HIBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328281 946509912 /nfs/dbraw/zinc/50/99/12/946509912.db2.gz OALMDMDULZAEER-WZONZLPQSA-N 1 1 419.529 4.220 20 5 HIBDMO COc1cc(C[N@@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000569889138 947035962 /nfs/dbraw/zinc/03/59/62/947035962.db2.gz OIKRJUDULLCQBM-UHFFFAOYSA-N 1 1 412.364 4.427 20 5 HIBDMO COc1cc(C[N@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000569889138 947035976 /nfs/dbraw/zinc/03/59/76/947035976.db2.gz OIKRJUDULLCQBM-UHFFFAOYSA-N 1 1 412.364 4.427 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccc(Cl)cc1 ZINC000570006814 947071165 /nfs/dbraw/zinc/07/11/65/947071165.db2.gz CNRYGCJESDXLJZ-OAQYLSRUSA-N 1 1 419.912 4.367 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@](O)(C(F)(F)F)CC3)o2)c([N+](=O)[O-])c1 ZINC000570129210 947108774 /nfs/dbraw/zinc/10/87/74/947108774.db2.gz YCNXBZAOZQXCGT-GOSISDBHSA-N 1 1 414.380 4.143 20 5 HIBDMO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570328537 947206098 /nfs/dbraw/zinc/20/60/98/947206098.db2.gz NRZVHODJBBSXLT-ICSRJNTNSA-N 1 1 410.518 4.257 20 5 HIBDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570888441 947385585 /nfs/dbraw/zinc/38/55/85/947385585.db2.gz VHZIZZHIBZXIHO-LLVKDONJSA-N 1 1 412.227 4.098 20 5 HIBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570888441 947385599 /nfs/dbraw/zinc/38/55/99/947385599.db2.gz VHZIZZHIBZXIHO-LLVKDONJSA-N 1 1 412.227 4.098 20 5 HIBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000571567722 947706579 /nfs/dbraw/zinc/70/65/79/947706579.db2.gz ZIRXVZSCIXUJDL-AWEZNQCLSA-N 1 1 405.882 4.389 20 5 HIBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000574326470 948413610 /nfs/dbraw/zinc/41/36/10/948413610.db2.gz NGXVEAMIPNZIFS-XLIONFOSSA-N 1 1 410.518 4.152 20 5 HIBDMO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574438214 948442905 /nfs/dbraw/zinc/44/29/05/948442905.db2.gz GPMCJXCPMFGEBE-GOEBONIOSA-N 1 1 421.419 4.254 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629160 719068485 /nfs/dbraw/zinc/06/84/85/719068485.db2.gz WDDAILJYIXZUMD-YOEHRIQHSA-N 1 1 407.301 4.397 20 5 HIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629284 719112708 /nfs/dbraw/zinc/11/27/08/719112708.db2.gz RROKHARORBDKHE-UZLBHIALSA-N 1 1 423.904 4.292 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(Cl)c2[N+](=O)[O-])CC3)cs1 ZINC001164693982 719803992 /nfs/dbraw/zinc/80/39/92/719803992.db2.gz WKPPHTGHOSLWGT-UHFFFAOYSA-N 1 1 407.927 4.043 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)cc(Cl)c2[N+](=O)[O-])CC3)cs1 ZINC001164693070 719807338 /nfs/dbraw/zinc/80/73/38/719807338.db2.gz PQJXQXBEFPMILV-UHFFFAOYSA-N 1 1 421.954 4.352 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC3)cs1 ZINC001164693900 719809504 /nfs/dbraw/zinc/80/95/04/719809504.db2.gz SEDHJFJHPBGQRD-UHFFFAOYSA-N 1 1 401.536 4.007 20 5 HIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699125 719895362 /nfs/dbraw/zinc/89/53/62/719895362.db2.gz XLHGLPNFWZBPTO-UHFFFAOYSA-N 1 1 424.526 4.076 20 5 HIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164699125 719895365 /nfs/dbraw/zinc/89/53/65/719895365.db2.gz XLHGLPNFWZBPTO-UHFFFAOYSA-N 1 1 424.526 4.076 20 5 HIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164795486 721499149 /nfs/dbraw/zinc/49/91/49/721499149.db2.gz IVMSDPSKCCTYCE-UHFFFAOYSA-N 1 1 417.513 4.419 20 5 HIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165020539 721808573 /nfs/dbraw/zinc/80/85/73/721808573.db2.gz FYIRSWNVTBQURU-KVSKMBFKSA-N 1 1 415.925 4.084 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]21 ZINC001165027450 721809609 /nfs/dbraw/zinc/80/96/09/721809609.db2.gz UTEAEBVKYFBFAA-VOQZNFBZSA-N 1 1 417.513 4.275 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]21 ZINC001165028287 721810857 /nfs/dbraw/zinc/81/08/57/721810857.db2.gz XDQJSHKZBIZYNJ-UCNVEGJOSA-N 1 1 417.513 4.275 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550948 846061847 /nfs/dbraw/zinc/06/18/47/846061847.db2.gz YOLOXEBQJKNJLR-HNNXBMFYSA-N 1 1 421.457 4.057 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000016483770 846177611 /nfs/dbraw/zinc/17/76/11/846177611.db2.gz YCNIMZFATJOONT-UHFFFAOYSA-N 1 1 405.454 4.311 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000025181725 846937908 /nfs/dbraw/zinc/93/79/08/846937908.db2.gz TXZMVZUFAXPOIC-SCLBCKFNSA-N 1 1 407.923 4.148 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(Br)cc1 ZINC000026224887 847106419 /nfs/dbraw/zinc/10/64/19/847106419.db2.gz BHSCLGZHEPVASA-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026225775 847106469 /nfs/dbraw/zinc/10/64/69/847106469.db2.gz DNUDYPDKTMPSMD-UHFFFAOYSA-N 1 1 411.380 4.083 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000026251019 847112171 /nfs/dbraw/zinc/11/21/71/847112171.db2.gz XGVPZCWTZRQBHK-UHFFFAOYSA-N 1 1 412.309 4.188 20 5 HIBDMO CCOc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000026454547 847153611 /nfs/dbraw/zinc/15/36/11/847153611.db2.gz UXSODVWLTHCJNK-ZDUSSCGKSA-N 1 1 423.416 4.054 20 5 HIBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000026454547 847153621 /nfs/dbraw/zinc/15/36/21/847153621.db2.gz UXSODVWLTHCJNK-ZDUSSCGKSA-N 1 1 423.416 4.054 20 5 HIBDMO CC(C)NC(=O)c1ccc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000028751906 847456031 /nfs/dbraw/zinc/45/60/31/847456031.db2.gz NJUJUEDAJOLAOJ-IBGZPJMESA-N 1 1 404.898 4.101 20 5 HIBDMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029936409 847654055 /nfs/dbraw/zinc/65/40/55/847654055.db2.gz FVOFSEQJABQYJX-NRFANRHFSA-N 1 1 411.458 4.064 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl ZINC000032801217 848077707 /nfs/dbraw/zinc/07/77/07/848077707.db2.gz DLUGXNWICFNGFT-SNVBAGLBSA-N 1 1 412.671 4.300 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000051133723 849435689 /nfs/dbraw/zinc/43/56/89/849435689.db2.gz ZSAVHBUYKDXVKJ-WMZHIEFXSA-N 1 1 411.502 4.332 20 5 HIBDMO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(Cl)cccc1Cl ZINC000052310365 849569811 /nfs/dbraw/zinc/56/98/11/849569811.db2.gz ZUXSPYCDJSXZHW-UHFFFAOYSA-N 1 1 412.273 4.241 20 5 HIBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(Cl)cccc1Cl ZINC000052310365 849569816 /nfs/dbraw/zinc/56/98/16/849569816.db2.gz ZUXSPYCDJSXZHW-UHFFFAOYSA-N 1 1 412.273 4.241 20 5 HIBDMO COc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])cc1OC ZINC000055448795 850026813 /nfs/dbraw/zinc/02/68/13/850026813.db2.gz UQCNLIPYDAQPFW-HNNXBMFYSA-N 1 1 413.474 4.239 20 5 HIBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437010527 862185916 /nfs/dbraw/zinc/18/59/16/862185916.db2.gz DCRGWBBCBIZUTM-INIZCTEOSA-N 1 1 421.419 4.208 20 5 HIBDMO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000060558156 851147000 /nfs/dbraw/zinc/14/70/00/851147000.db2.gz HKQJZWDCSQUUQP-KSFYIVLOSA-N 1 1 405.454 4.310 20 5 HIBDMO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])c1 ZINC000061002626 851270102 /nfs/dbraw/zinc/27/01/02/851270102.db2.gz PCFYJGZPJPCWEV-QGZVFWFLSA-N 1 1 418.515 4.096 20 5 HIBDMO C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000061788107 851452900 /nfs/dbraw/zinc/45/29/00/851452900.db2.gz RKKOYYHVYPGKRV-HNNXBMFYSA-N 1 1 400.504 4.026 20 5 HIBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000437058719 862255110 /nfs/dbraw/zinc/25/51/10/862255110.db2.gz XPVWWGQYJOURRK-QGZVFWFLSA-N 1 1 409.511 4.404 20 5 HIBDMO CC(C)[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350530 851877799 /nfs/dbraw/zinc/87/77/99/851877799.db2.gz MSDHMERATYOGFZ-UHFFFAOYSA-N 1 1 424.270 4.346 20 5 HIBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350530 851877806 /nfs/dbraw/zinc/87/78/06/851877806.db2.gz MSDHMERATYOGFZ-UHFFFAOYSA-N 1 1 424.270 4.346 20 5 HIBDMO CC(C)[N@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350340 851877979 /nfs/dbraw/zinc/87/79/79/851877979.db2.gz SGGUDODMZLBUBQ-UHFFFAOYSA-N 1 1 407.873 4.256 20 5 HIBDMO CC(C)[N@@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350340 851877984 /nfs/dbraw/zinc/87/79/84/851877984.db2.gz SGGUDODMZLBUBQ-UHFFFAOYSA-N 1 1 407.873 4.256 20 5 HIBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000064738509 851973630 /nfs/dbraw/zinc/97/36/30/851973630.db2.gz SLWCVARFXWBKMX-UHFFFAOYSA-N 1 1 424.545 4.399 20 5 HIBDMO C[N@@H+](CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000065096931 852062434 /nfs/dbraw/zinc/06/24/34/852062434.db2.gz VMMLPLLPZOMPKU-UHFFFAOYSA-N 1 1 402.520 4.103 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065101914 852063902 /nfs/dbraw/zinc/06/39/02/852063902.db2.gz DULGTHBHSCMGAN-HNNXBMFYSA-N 1 1 402.520 4.103 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065892486 852306130 /nfs/dbraw/zinc/30/61/30/852306130.db2.gz JMPYAABJRLJLRQ-HXUWFJFHSA-N 1 1 413.493 4.383 20 5 HIBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437152875 862346610 /nfs/dbraw/zinc/34/66/10/862346610.db2.gz JEMVQAHWGNDGJT-MRXNPFEDSA-N 1 1 411.380 4.164 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000071954865 852444961 /nfs/dbraw/zinc/44/49/61/852444961.db2.gz KULGFWJNAXHWHI-QGZVFWFLSA-N 1 1 422.529 4.331 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+]C2(c3cccc(Br)c3)CCC2)c2c(c1)COCO2 ZINC000116677641 853324053 /nfs/dbraw/zinc/32/40/53/853324053.db2.gz JESRBOSCHHLZDK-UHFFFAOYSA-N 1 1 419.275 4.393 20 5 HIBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000142822834 853502067 /nfs/dbraw/zinc/50/20/67/853502067.db2.gz QLRNEHNJSXQZSC-INIZCTEOSA-N 1 1 416.547 4.119 20 5 HIBDMO Cc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000195693449 853762853 /nfs/dbraw/zinc/76/28/53/853762853.db2.gz HCDVKAVDGWILDP-UHFFFAOYSA-N 1 1 415.493 4.451 20 5 HIBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000195732675 853784132 /nfs/dbraw/zinc/78/41/32/853784132.db2.gz HCVOOTJMEZWNQQ-KBXCAEBGSA-N 1 1 412.408 4.436 20 5 HIBDMO CC(=O)N(c1nc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cs1)c1ccc(C)cc1 ZINC000236741184 853918563 /nfs/dbraw/zinc/91/85/63/853918563.db2.gz BHZLDGJUUPHRPT-UHFFFAOYSA-N 1 1 410.499 4.377 20 5 HIBDMO COc1cccc([C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[NH+](C)C)c1 ZINC000237318463 854005759 /nfs/dbraw/zinc/00/57/59/854005759.db2.gz WJNTZDKNRLJECG-FQEVSTJZSA-N 1 1 412.515 4.119 20 5 HIBDMO C[C@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1Cc1ccccc1 ZINC000237698351 854077968 /nfs/dbraw/zinc/07/79/68/854077968.db2.gz TXZMYTNWWQTPTO-QFBILLFUSA-N 1 1 408.527 4.471 20 5 HIBDMO C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000237698351 854077973 /nfs/dbraw/zinc/07/79/73/854077973.db2.gz TXZMYTNWWQTPTO-QFBILLFUSA-N 1 1 408.527 4.471 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCCC[NH+]2CCCC2)cc1 ZINC000237999215 854130805 /nfs/dbraw/zinc/13/08/05/854130805.db2.gz HPXIWOYTXOCOQN-UHFFFAOYSA-N 1 1 405.502 4.023 20 5 HIBDMO O=[N+]([O-])c1cnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(Br)c1 ZINC000301579364 854423297 /nfs/dbraw/zinc/42/32/97/854423297.db2.gz ZVOFXEQQMMKDQN-MQVJKMGUSA-N 1 1 417.307 4.360 20 5 HIBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301860421 854477450 /nfs/dbraw/zinc/47/74/50/854477450.db2.gz DNYKQQCSRWRXBH-UHFFFAOYSA-N 1 1 419.323 4.101 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000303746238 855168358 /nfs/dbraw/zinc/16/83/58/855168358.db2.gz KBNFZHCDCMAABJ-AUSIDOKSSA-N 1 1 424.545 4.298 20 5 HIBDMO CCCOc1c(Cl)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC ZINC000425978180 856026936 /nfs/dbraw/zinc/02/69/36/856026936.db2.gz XZUZKDXHSRGLHL-UHFFFAOYSA-N 1 1 408.886 4.079 20 5 HIBDMO CC[C@]1(CO)CCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462699 856303230 /nfs/dbraw/zinc/30/32/30/856303230.db2.gz RVMULIXCQXUCFP-GMAHTHKFSA-N 1 1 411.502 4.068 20 5 HIBDMO CC[C@]1(CO)CCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462699 856303245 /nfs/dbraw/zinc/30/32/45/856303245.db2.gz RVMULIXCQXUCFP-GMAHTHKFSA-N 1 1 411.502 4.068 20 5 HIBDMO CCOC1(C)CC[NH+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000428722749 857309973 /nfs/dbraw/zinc/30/99/73/857309973.db2.gz YBAKEFKDDNJKIC-OAQYLSRUSA-N 1 1 411.502 4.474 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000429059898 857485827 /nfs/dbraw/zinc/48/58/27/857485827.db2.gz BJVUNEKSRVICHY-MRXNPFEDSA-N 1 1 414.531 4.335 20 5 HIBDMO CC(C)([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1F ZINC000429250426 857574402 /nfs/dbraw/zinc/57/44/02/857574402.db2.gz XMNJJDXERAGJQQ-UHFFFAOYSA-N 1 1 414.462 4.321 20 5 HIBDMO C[C@@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000429251519 857575532 /nfs/dbraw/zinc/57/55/32/857575532.db2.gz BUBLCLXMVDUAKN-CYBMUJFWSA-N 1 1 420.307 4.059 20 5 HIBDMO C[N@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143987 858051877 /nfs/dbraw/zinc/05/18/77/858051877.db2.gz CUBDNDRITFNVGW-IBGZPJMESA-N 1 1 420.307 4.145 20 5 HIBDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000430874656 858350006 /nfs/dbraw/zinc/35/00/06/858350006.db2.gz FZRDCWIAMVEVSX-GOSISDBHSA-N 1 1 405.454 4.340 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431169171 858483966 /nfs/dbraw/zinc/48/39/66/858483966.db2.gz ROQCBHNFHHSYGB-UHFFFAOYSA-N 1 1 420.307 4.128 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434903883 860547750 /nfs/dbraw/zinc/54/77/50/860547750.db2.gz CHOUIOCNAMZAPQ-OAHLLOKOSA-N 1 1 400.479 4.377 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000434976392 860583091 /nfs/dbraw/zinc/58/30/91/860583091.db2.gz BVDSQOTVPJLMRZ-QFIPXVFZSA-N 1 1 419.485 4.186 20 5 HIBDMO C[C@@H](c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)[NH+]1CCOCC1 ZINC000437801064 863121291 /nfs/dbraw/zinc/12/12/91/863121291.db2.gz NSBHWLIYXJLJPD-KRWDZBQOSA-N 1 1 424.501 4.185 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000437838509 863194494 /nfs/dbraw/zinc/19/44/94/863194494.db2.gz UDRYGRJELCQTBA-LJQANCHMSA-N 1 1 403.526 4.208 20 5 HIBDMO C[C@H](CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000437973312 863341828 /nfs/dbraw/zinc/34/18/28/863341828.db2.gz YVCWUXIFPBSCAP-GOSISDBHSA-N 1 1 410.518 4.179 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000438319325 863798851 /nfs/dbraw/zinc/79/88/51/863798851.db2.gz GZVSCQVWXMAILB-NRFANRHFSA-N 1 1 400.523 4.066 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1O ZINC000438337317 863810854 /nfs/dbraw/zinc/81/08/54/863810854.db2.gz XVJMLPPYPKFNBW-KRWDZBQOSA-N 1 1 409.280 4.210 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000438952838 864423588 /nfs/dbraw/zinc/42/35/88/864423588.db2.gz NFUUUOGNVUWGLE-IBGZPJMESA-N 1 1 401.894 4.197 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439884213 865195961 /nfs/dbraw/zinc/19/59/61/865195961.db2.gz SPHZVSHHAYBSAX-FUHWJXTLSA-N 1 1 412.490 4.026 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000439884861 865196523 /nfs/dbraw/zinc/19/65/23/865196523.db2.gz XDWIBPWGAIOVEC-SJLPKXTDSA-N 1 1 412.490 4.168 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000440925105 866021427 /nfs/dbraw/zinc/02/14/27/866021427.db2.gz KXPCHTBPXJWUHQ-XJKSGUPXSA-N 1 1 415.877 4.396 20 5 HIBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441266096 866340928 /nfs/dbraw/zinc/34/09/28/866340928.db2.gz UKIPWWWNEVZQQX-XIKOKIGWSA-N 1 1 407.392 4.296 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)ccc1Oc1ccc(F)cc1 ZINC000441382644 866454100 /nfs/dbraw/zinc/45/41/00/866454100.db2.gz NTYHZHYGHBBLGH-HSZRJFAPSA-N 1 1 424.428 4.286 20 5 HIBDMO COc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Br ZINC000441830506 866890287 /nfs/dbraw/zinc/89/02/87/866890287.db2.gz YTEMNAIRRQBAPR-UHFFFAOYSA-N 1 1 421.291 4.409 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000443643537 868232070 /nfs/dbraw/zinc/23/20/70/868232070.db2.gz BIFUIGVKHPSYHH-AWEZNQCLSA-N 1 1 412.421 4.083 20 5 HIBDMO C[N@@H+](Cc1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000443696274 868294585 /nfs/dbraw/zinc/29/45/85/868294585.db2.gz FCSSQPGHZPUOBP-UHFFFAOYSA-N 1 1 417.531 4.301 20 5 HIBDMO CCNc1ccc(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000444011829 868535235 /nfs/dbraw/zinc/53/52/35/868535235.db2.gz KLTCIWNEWXMFPK-IBGZPJMESA-N 1 1 410.518 4.011 20 5 HIBDMO C[C@@H](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@@H+](C)Cc1ccccc1 ZINC000444108948 868622342 /nfs/dbraw/zinc/62/23/42/868622342.db2.gz KTBWQNOTRRZRRM-SFHVURJKSA-N 1 1 413.521 4.322 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444177338 868650706 /nfs/dbraw/zinc/65/07/06/868650706.db2.gz UZYJEEGTGNGAMF-FUHWJXTLSA-N 1 1 408.458 4.245 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@H+]1Cc1ccccc1 ZINC000444222766 868674450 /nfs/dbraw/zinc/67/44/50/868674450.db2.gz GKTBDKFBHCWMPW-XLIONFOSSA-N 1 1 411.505 4.074 20 5 HIBDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687604 868958925 /nfs/dbraw/zinc/95/89/25/868958925.db2.gz BCAYSAIYAHZAPM-SNVBAGLBSA-N 1 1 405.252 4.093 20 5 HIBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(OCc2ccccn2)c1 ZINC000444691488 868959870 /nfs/dbraw/zinc/95/98/70/868959870.db2.gz ZKCQSYXNQIKAQN-OAHLLOKOSA-N 1 1 403.442 4.296 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000444911452 869098148 /nfs/dbraw/zinc/09/81/48/869098148.db2.gz ZPGFCVKFIGYUNC-MRXNPFEDSA-N 1 1 404.511 4.112 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445001583 869156380 /nfs/dbraw/zinc/15/63/80/869156380.db2.gz VLVSVDOGNUDRRP-OALUTQOASA-N 1 1 417.553 4.408 20 5 HIBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)sc2C1 ZINC000445162354 869252102 /nfs/dbraw/zinc/25/21/02/869252102.db2.gz QSGZPAGQNNDWOZ-UHFFFAOYSA-N 1 1 418.522 4.157 20 5 HIBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)sc2C1 ZINC000445162354 869252114 /nfs/dbraw/zinc/25/21/14/869252114.db2.gz QSGZPAGQNNDWOZ-UHFFFAOYSA-N 1 1 418.522 4.157 20 5 HIBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000445947168 869908043 /nfs/dbraw/zinc/90/80/43/869908043.db2.gz RNAFPMIOCSHYCP-DEOSSOPVSA-N 1 1 407.514 4.042 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000446226607 870163428 /nfs/dbraw/zinc/16/34/28/870163428.db2.gz MTBWERNKMPXMTB-YJBOKZPZSA-N 1 1 408.285 4.385 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000446226607 870163434 /nfs/dbraw/zinc/16/34/34/870163434.db2.gz MTBWERNKMPXMTB-YJBOKZPZSA-N 1 1 408.285 4.385 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000446280260 870213521 /nfs/dbraw/zinc/21/35/21/870213521.db2.gz HLSAMCYILMAOHQ-YLJYHZDGSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000446280260 870213534 /nfs/dbraw/zinc/21/35/34/870213534.db2.gz HLSAMCYILMAOHQ-YLJYHZDGSA-N 1 1 403.429 4.135 20 5 HIBDMO COc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OCc1cccs1 ZINC000446847868 870767354 /nfs/dbraw/zinc/76/73/54/870767354.db2.gz PDJBZLZYJIXMGV-UHFFFAOYSA-N 1 1 424.482 4.410 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000447540089 871406508 /nfs/dbraw/zinc/40/65/08/871406508.db2.gz ISFXFSWRICEBKC-RHGYRFJNSA-N 1 1 409.530 4.371 20 5 HIBDMO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000447543550 871411616 /nfs/dbraw/zinc/41/16/16/871411616.db2.gz RRFLCBAZLXPWOS-KSFYIVLOSA-N 1 1 412.509 4.214 20 5 HIBDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546332 871415251 /nfs/dbraw/zinc/41/52/51/871415251.db2.gz VARWLOBRARKCPK-FCHUYYIVSA-N 1 1 423.517 4.290 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(O)(C(F)(F)F)CC3)o2)c(Cl)c1 ZINC000468515357 882522070 /nfs/dbraw/zinc/52/20/70/882522070.db2.gz LUBBCJITANBUPH-UHFFFAOYSA-N 1 1 404.772 4.397 20 5 HIBDMO C[C@@H](c1c(F)cccc1F)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460347786 872966024 /nfs/dbraw/zinc/96/60/24/872966024.db2.gz CKWWXWJODMVNNG-ZDUSSCGKSA-N 1 1 401.417 4.023 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000460837638 873726971 /nfs/dbraw/zinc/72/69/71/873726971.db2.gz OUZCFLAHBWBJNK-UHFFFAOYSA-N 1 1 415.493 4.451 20 5 HIBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000468692691 882816390 /nfs/dbraw/zinc/81/63/90/882816390.db2.gz FUYOYBQYFPHEED-FQEVSTJZSA-N 1 1 414.502 4.431 20 5 HIBDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000468697877 882819219 /nfs/dbraw/zinc/81/92/19/882819219.db2.gz ZXRWNWVYFWKOLP-LJQANCHMSA-N 1 1 414.502 4.431 20 5 HIBDMO Cc1c(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000462184878 875285147 /nfs/dbraw/zinc/28/51/47/875285147.db2.gz DJEFELKALTWTLK-QFIPXVFZSA-N 1 1 410.495 4.186 20 5 HIBDMO Cc1c(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000462184871 875285655 /nfs/dbraw/zinc/28/56/55/875285655.db2.gz DJEFELKALTWTLK-JOCHJYFZSA-N 1 1 410.495 4.186 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000462501742 875617835 /nfs/dbraw/zinc/61/78/35/875617835.db2.gz MZNXYIYBTMZEDB-PKOBYXMFSA-N 1 1 411.502 4.195 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463441113 876498847 /nfs/dbraw/zinc/49/88/47/876498847.db2.gz HXPFRIKWYZJFHJ-UZUQRXQVSA-N 1 1 422.485 4.023 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000463964507 877089162 /nfs/dbraw/zinc/08/91/62/877089162.db2.gz OHBJAGPRFLWKPO-HNAYVOBHSA-N 1 1 402.520 4.478 20 5 HIBDMO COc1cc(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000464614925 877839407 /nfs/dbraw/zinc/83/94/07/877839407.db2.gz XHVLEZKYJQDKAY-LLVKDONJSA-N 1 1 412.437 4.316 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840397 878109222 /nfs/dbraw/zinc/10/92/22/878109222.db2.gz UNGAWJZUTMTHJG-PKOBYXMFSA-N 1 1 421.501 4.160 20 5 HIBDMO C[C@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000465647566 879167636 /nfs/dbraw/zinc/16/76/36/879167636.db2.gz AJLHDOPKPWGFBB-KRWDZBQOSA-N 1 1 422.485 4.380 20 5 HIBDMO C[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000465647566 879167650 /nfs/dbraw/zinc/16/76/50/879167650.db2.gz AJLHDOPKPWGFBB-KRWDZBQOSA-N 1 1 422.485 4.380 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000467273268 881014986 /nfs/dbraw/zinc/01/49/86/881014986.db2.gz NWNHNBYFMYQLLW-GFCCVEGCSA-N 1 1 415.441 4.047 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000467273268 881015005 /nfs/dbraw/zinc/01/50/05/881015005.db2.gz NWNHNBYFMYQLLW-GFCCVEGCSA-N 1 1 415.441 4.047 20 5 HIBDMO COc1cc(C[N@@H+](C)CC[C@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467383968 881165760 /nfs/dbraw/zinc/16/57/60/881165760.db2.gz VKJMFYSKJKBICP-HXUWFJFHSA-N 1 1 400.475 4.183 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000469562098 883815269 /nfs/dbraw/zinc/81/52/69/883815269.db2.gz MCISXUOXVXPXQP-OAQYLSRUSA-N 1 1 418.453 4.254 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000470000425 884216696 /nfs/dbraw/zinc/21/66/96/884216696.db2.gz RQLORGKUWMAYQG-ZDUSSCGKSA-N 1 1 411.380 4.261 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000470000425 884216713 /nfs/dbraw/zinc/21/67/13/884216713.db2.gz RQLORGKUWMAYQG-ZDUSSCGKSA-N 1 1 411.380 4.261 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000470136359 884399719 /nfs/dbraw/zinc/39/97/19/884399719.db2.gz GHVYQNYZHKSVNH-BEFAXECRSA-N 1 1 400.454 4.251 20 5 HIBDMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470170009 884448143 /nfs/dbraw/zinc/44/81/43/884448143.db2.gz NGMLLNNLDGKKEL-NTEUORMPSA-N 1 1 403.866 4.231 20 5 HIBDMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470170009 884448146 /nfs/dbraw/zinc/44/81/46/884448146.db2.gz NGMLLNNLDGKKEL-NTEUORMPSA-N 1 1 403.866 4.231 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000470177826 884460867 /nfs/dbraw/zinc/46/08/67/884460867.db2.gz UOYZYOZSJGWYJD-VKAVYKQESA-N 1 1 413.905 4.500 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000470177826 884460882 /nfs/dbraw/zinc/46/08/82/884460882.db2.gz UOYZYOZSJGWYJD-VKAVYKQESA-N 1 1 413.905 4.500 20 5 HIBDMO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470815034 885303350 /nfs/dbraw/zinc/30/33/50/885303350.db2.gz XOPRQJLIDHNTQG-QGZVFWFLSA-N 1 1 421.419 4.350 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470926156 885430150 /nfs/dbraw/zinc/43/01/50/885430150.db2.gz OAGMJGZWSBPJKR-IBGZPJMESA-N 1 1 415.465 4.052 20 5 HIBDMO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000471038016 885547588 /nfs/dbraw/zinc/54/75/88/885547588.db2.gz IOJHSTACSUYUOU-CVDCTZTESA-N 1 1 424.545 4.247 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000471113310 885648593 /nfs/dbraw/zinc/64/85/93/885648593.db2.gz RBFFNQALEPCHMQ-UHFFFAOYSA-N 1 1 423.513 4.122 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472350746 887185837 /nfs/dbraw/zinc/18/58/37/887185837.db2.gz QPXGNNLMCCIVNU-SPLOXXLWSA-N 1 1 401.438 4.154 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503478 888230621 /nfs/dbraw/zinc/23/06/21/888230621.db2.gz HAVZDMOWZOPTMA-QFIPXVFZSA-N 1 1 413.905 4.377 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000473823270 888655205 /nfs/dbraw/zinc/65/52/05/888655205.db2.gz LEWWNFRVIMLQSV-LFUKPOHLSA-N 1 1 410.518 4.490 20 5 HIBDMO COc1ccc([C@H]2C[C@H]([NH2+][C@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000504561048 913333681 /nfs/dbraw/zinc/33/36/81/913333681.db2.gz NEPRLLIIFVAYLS-FIKGOQFSSA-N 1 1 410.449 4.101 20 5 HIBDMO C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000475113193 889963891 /nfs/dbraw/zinc/96/38/91/889963891.db2.gz RBGYFFBKJRJTGQ-NTKDMRAZSA-N 1 1 422.529 4.354 20 5 HIBDMO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475304730 890214299 /nfs/dbraw/zinc/21/42/99/890214299.db2.gz RIEFKLFCHLGFPL-IBGZPJMESA-N 1 1 422.510 4.065 20 5 HIBDMO CCN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1c1ncc[nH]1 ZINC000475355265 890280312 /nfs/dbraw/zinc/28/03/12/890280312.db2.gz ZJRVSMRTAYOYJU-GOSISDBHSA-N 1 1 415.881 4.110 20 5 HIBDMO CCN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1c1ncc[nH]1 ZINC000475355265 890280330 /nfs/dbraw/zinc/28/03/30/890280330.db2.gz ZJRVSMRTAYOYJU-GOSISDBHSA-N 1 1 415.881 4.110 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000475644237 890587344 /nfs/dbraw/zinc/58/73/44/890587344.db2.gz YZIDLRYVCFJKNR-KXBFYZLASA-N 1 1 402.520 4.478 20 5 HIBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000476824500 891807332 /nfs/dbraw/zinc/80/73/32/891807332.db2.gz RKIXCLQZFOUUBF-UHFFFAOYSA-N 1 1 405.458 4.321 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053520 891985940 /nfs/dbraw/zinc/98/59/40/891985940.db2.gz YPXIGHHUWTUQKX-LADGPHEKSA-N 1 1 423.513 4.476 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053520 891985953 /nfs/dbraw/zinc/98/59/53/891985953.db2.gz YPXIGHHUWTUQKX-LADGPHEKSA-N 1 1 423.513 4.476 20 5 HIBDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066015 891999737 /nfs/dbraw/zinc/99/97/37/891999737.db2.gz MTFDOEGCOZCPGW-MHTXLSKPSA-N 1 1 413.499 4.223 20 5 HIBDMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000479418393 894728950 /nfs/dbraw/zinc/72/89/50/894728950.db2.gz SZCHYCVFNZWJQN-INIZCTEOSA-N 1 1 414.483 4.115 20 5 HIBDMO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc([N+](=O)[O-])c1C ZINC000479861167 895196969 /nfs/dbraw/zinc/19/69/69/895196969.db2.gz HQYWFHXYQMKBEX-XMMPIXPASA-N 1 1 423.513 4.040 20 5 HIBDMO Cc1c(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480057307 895404860 /nfs/dbraw/zinc/40/48/60/895404860.db2.gz UQZXFYRKWFFYGX-UWJYYQICSA-N 1 1 410.518 4.098 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481176896 896511304 /nfs/dbraw/zinc/51/13/04/896511304.db2.gz OYFKIXRSDKKHIP-VGSWGCGISA-N 1 1 406.486 4.250 20 5 HIBDMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000481417140 896820562 /nfs/dbraw/zinc/82/05/62/896820562.db2.gz ISVWILXMVZRGBR-QFIPXVFZSA-N 1 1 402.454 4.240 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000481622336 897006012 /nfs/dbraw/zinc/00/60/12/897006012.db2.gz IGOIITBFKFZDKW-INIZCTEOSA-N 1 1 406.486 4.238 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000481777880 897160652 /nfs/dbraw/zinc/16/06/52/897160652.db2.gz PXDQZKIROJEWMS-HNNXBMFYSA-N 1 1 401.894 4.410 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000505471656 914143826 /nfs/dbraw/zinc/14/38/26/914143826.db2.gz LYXCQRYHXGIPKR-SFHVURJKSA-N 1 1 417.531 4.138 20 5 HIBDMO O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 ZINC000482280765 897772955 /nfs/dbraw/zinc/77/29/55/897772955.db2.gz CICPDBLDTDCKMU-UHFFFAOYSA-N 1 1 412.833 4.094 20 5 HIBDMO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCCOC2)O1 ZINC000482454487 898022469 /nfs/dbraw/zinc/02/24/69/898022469.db2.gz FAHLRILSJSMHSY-VBKZILBWSA-N 1 1 406.866 4.278 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCCOC2)O1 ZINC000482454487 898022482 /nfs/dbraw/zinc/02/24/82/898022482.db2.gz FAHLRILSJSMHSY-VBKZILBWSA-N 1 1 406.866 4.278 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000482492502 898071871 /nfs/dbraw/zinc/07/18/71/898071871.db2.gz WVXMOJGWRONPRE-SFHVURJKSA-N 1 1 421.419 4.254 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000482499326 898078922 /nfs/dbraw/zinc/07/89/22/898078922.db2.gz NKWLQALFFOFLJR-UHFFFAOYSA-N 1 1 410.426 4.039 20 5 HIBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482503405 898085312 /nfs/dbraw/zinc/08/53/12/898085312.db2.gz FJSAXQUVRKWNNT-APWZRJJASA-N 1 1 416.522 4.198 20 5 HIBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000482532020 898119463 /nfs/dbraw/zinc/11/94/63/898119463.db2.gz KCROXCPQZKDTCN-SJORKVTESA-N 1 1 400.498 4.206 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000482664597 898266588 /nfs/dbraw/zinc/26/65/88/898266588.db2.gz PQYCANPATONHKF-OAHLLOKOSA-N 1 1 400.454 4.159 20 5 HIBDMO COc1ccc(C[N@H+](CCc2ccccn2)Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000483072840 898754309 /nfs/dbraw/zinc/75/43/09/898754309.db2.gz GVWFUUQPVCBDRR-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000483072840 898754319 /nfs/dbraw/zinc/75/43/19/898754319.db2.gz GVWFUUQPVCBDRR-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO COc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000483275919 898913402 /nfs/dbraw/zinc/91/34/02/898913402.db2.gz BCBSNPYKXXXOSS-AWEZNQCLSA-N 1 1 404.772 4.099 20 5 HIBDMO COc1cc(C[NH2+][C@@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505605368 914309955 /nfs/dbraw/zinc/30/99/55/914309955.db2.gz FIUJAVBUISEAEX-LJQANCHMSA-N 1 1 409.433 4.438 20 5 HIBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2C1 ZINC000484884113 900269736 /nfs/dbraw/zinc/26/97/36/900269736.db2.gz VSEDHBLFKWFRIC-UHFFFAOYSA-N 1 1 419.485 4.395 20 5 HIBDMO C[N@@H+](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000485742613 900996382 /nfs/dbraw/zinc/99/63/82/900996382.db2.gz NWQUJWLJMHHLAN-UHFFFAOYSA-N 1 1 419.481 4.036 20 5 HIBDMO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2OC)cc1 ZINC000486025694 901232155 /nfs/dbraw/zinc/23/21/55/901232155.db2.gz BXLZEVWJMUNHQR-HSZRJFAPSA-N 1 1 408.454 4.500 20 5 HIBDMO CSc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000486406380 901567935 /nfs/dbraw/zinc/56/79/35/901567935.db2.gz KFMMMTBXTQXALR-SJLPKXTDSA-N 1 1 413.543 4.442 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486431992 901591549 /nfs/dbraw/zinc/59/15/49/901591549.db2.gz DPXGKAIKOZEZMX-KUHUBIRLSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486431992 901591555 /nfs/dbraw/zinc/59/15/55/901591555.db2.gz DPXGKAIKOZEZMX-KUHUBIRLSA-N 1 1 405.857 4.119 20 5 HIBDMO CC(C)([C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000486555616 901701611 /nfs/dbraw/zinc/70/16/11/901701611.db2.gz JLQIMNQEYXRKRB-KRWDZBQOSA-N 1 1 409.458 4.280 20 5 HIBDMO CC[NH+]1CCN(c2ccccc2CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000487214726 902103234 /nfs/dbraw/zinc/10/32/34/902103234.db2.gz ITHSRBNMHRMNEO-UHFFFAOYSA-N 1 1 422.451 4.045 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000487265946 902126982 /nfs/dbraw/zinc/12/69/82/902126982.db2.gz OKIHZOZWUOUMEG-UHFFFAOYSA-N 1 1 415.515 4.484 20 5 HIBDMO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487268071 902128571 /nfs/dbraw/zinc/12/85/71/902128571.db2.gz LTAXHKJZBSIENV-WBVHZDCISA-N 1 1 409.511 4.450 20 5 HIBDMO CC(C)(NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000488510239 902863100 /nfs/dbraw/zinc/86/31/00/902863100.db2.gz WQWHEWMPEAIQNL-MRXNPFEDSA-N 1 1 416.547 4.103 20 5 HIBDMO CO[C@H](C)c1nc(CN2CCC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013323 903725220 /nfs/dbraw/zinc/72/52/20/903725220.db2.gz LTKBDVDEQJISOQ-IAGOWNOFSA-N 1 1 418.563 4.336 20 5 HIBDMO COc1cc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000490168608 903806442 /nfs/dbraw/zinc/80/64/42/903806442.db2.gz XWHOFBZYZTUBTO-MZNJEOGPSA-N 1 1 422.481 4.415 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289781 903879016 /nfs/dbraw/zinc/87/90/16/903879016.db2.gz QXJJEBJSZBKJQE-IFMALSPDSA-N 1 1 417.456 4.146 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289781 903879017 /nfs/dbraw/zinc/87/90/17/903879017.db2.gz QXJJEBJSZBKJQE-IFMALSPDSA-N 1 1 417.456 4.146 20 5 HIBDMO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490788239 904234460 /nfs/dbraw/zinc/23/44/60/904234460.db2.gz BANFROMMZOIWPK-ZBFHGGJFSA-N 1 1 421.419 4.254 20 5 HIBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000491091401 904423310 /nfs/dbraw/zinc/42/33/10/904423310.db2.gz JFZHCIBXQKQSGX-IBGZPJMESA-N 1 1 410.518 4.011 20 5 HIBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)c2ccccc2)c1 ZINC000493083651 905015102 /nfs/dbraw/zinc/01/51/02/905015102.db2.gz XNKGPULIAFFRIZ-XMMPIXPASA-N 1 1 421.472 4.450 20 5 HIBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)c2ccccc2)c1 ZINC000494026734 905368440 /nfs/dbraw/zinc/36/84/40/905368440.db2.gz DKIUYEPVMDNIML-HSZRJFAPSA-N 1 1 409.530 4.309 20 5 HIBDMO C[C@@H]1[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000494069339 905406175 /nfs/dbraw/zinc/40/61/75/905406175.db2.gz OJQWDYQQXQKNKW-UTKZUKDTSA-N 1 1 416.481 4.050 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000494105433 905442687 /nfs/dbraw/zinc/44/26/87/905442687.db2.gz KDJALTHIYLGTLA-RBUKOAKNSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000494105433 905442698 /nfs/dbraw/zinc/44/26/98/905442698.db2.gz KDJALTHIYLGTLA-RBUKOAKNSA-N 1 1 423.847 4.480 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427045 921154221 /nfs/dbraw/zinc/15/42/21/921154221.db2.gz KDVNNYPEWTTXQW-ZGRWHYIRSA-N 1 1 412.465 4.281 20 5 HIBDMO CCc1nc(C)c(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)o1 ZINC000494355202 905658017 /nfs/dbraw/zinc/65/80/17/905658017.db2.gz BEAGULATJLXHQR-UHFFFAOYSA-N 1 1 411.458 4.331 20 5 HIBDMO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494499435 905787588 /nfs/dbraw/zinc/78/75/88/905787588.db2.gz ZQFRQYUTFXIUBQ-IGNZVWTISA-N 1 1 414.849 4.479 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)o2)cc1 ZINC000494501190 905793251 /nfs/dbraw/zinc/79/32/51/905793251.db2.gz CDCAMNQJEISVNL-SJLPKXTDSA-N 1 1 418.812 4.057 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000512609923 921259231 /nfs/dbraw/zinc/25/92/31/921259231.db2.gz SRFWBIXJKLKWRN-SJORKVTESA-N 1 1 416.522 4.198 20 5 HIBDMO COc1cc(C[NH2+][C@H](c2nccn2C)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512892964 921387721 /nfs/dbraw/zinc/38/77/21/921387721.db2.gz ZAHNLCKXCNCFTD-QFIPXVFZSA-N 1 1 422.485 4.157 20 5 HIBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000513071792 921525627 /nfs/dbraw/zinc/52/56/27/921525627.db2.gz YZZWKZWLJCQXSY-ORFRNNEJSA-N 1 1 417.550 4.287 20 5 HIBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000513071793 921526378 /nfs/dbraw/zinc/52/63/78/921526378.db2.gz YZZWKZWLJCQXSY-UFHDJZAFSA-N 1 1 417.550 4.287 20 5 HIBDMO C[NH+](C)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1Cl ZINC000500752368 910060293 /nfs/dbraw/zinc/06/02/93/910060293.db2.gz WVKMWMHUFGBFGI-UHFFFAOYSA-N 1 1 412.671 4.325 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503208203 912189535 /nfs/dbraw/zinc/18/95/35/912189535.db2.gz TVZMRVRIRHUYMD-OAQYLSRUSA-N 1 1 407.470 4.075 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(c4ncnc5sccc54)CC3)o2)cc1 ZINC000506389247 915006334 /nfs/dbraw/zinc/00/63/34/915006334.db2.gz ZRBYYPJHKUVETL-UHFFFAOYSA-N 1 1 421.482 4.182 20 5 HIBDMO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000506477155 915079840 /nfs/dbraw/zinc/07/98/40/915079840.db2.gz MJQHBIIYATZFIH-OAQYLSRUSA-N 1 1 408.527 4.425 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)s1 ZINC000513415439 921783988 /nfs/dbraw/zinc/78/39/88/921783988.db2.gz JJAKXTVFVBQAOE-UHFFFAOYSA-N 1 1 414.556 4.488 20 5 HIBDMO CCCCCNC(=O)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000506866777 915655961 /nfs/dbraw/zinc/65/59/61/915655961.db2.gz JJCWTYLBQVZPEC-UHFFFAOYSA-N 1 1 416.547 4.237 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000507096137 915867048 /nfs/dbraw/zinc/86/70/48/915867048.db2.gz AGLVSMHPEZIYTL-UHFFFAOYSA-N 1 1 413.543 4.097 20 5 HIBDMO CSc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000507126817 915880570 /nfs/dbraw/zinc/88/05/70/915880570.db2.gz MWSZXRAJKMYHEN-UHFFFAOYSA-N 1 1 413.543 4.097 20 5 HIBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000507171027 915915447 /nfs/dbraw/zinc/91/54/47/915915447.db2.gz RSXIHVFXJQNZIF-UHFFFAOYSA-N 1 1 411.502 4.007 20 5 HIBDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000507248063 916007580 /nfs/dbraw/zinc/00/75/80/916007580.db2.gz SEYBYDOQMIRGMK-GHMZBOCLSA-N 1 1 410.243 4.174 20 5 HIBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1-c1ccccc1 ZINC000507261237 916023562 /nfs/dbraw/zinc/02/35/62/916023562.db2.gz JVTPDIWPWGZCKO-UHFFFAOYSA-N 1 1 419.437 4.061 20 5 HIBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1-c1ccccc1 ZINC000507261237 916023581 /nfs/dbraw/zinc/02/35/81/916023581.db2.gz JVTPDIWPWGZCKO-UHFFFAOYSA-N 1 1 419.437 4.061 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000507636473 916396187 /nfs/dbraw/zinc/39/61/87/916396187.db2.gz OQJGPOMZAPXYAM-QGZVFWFLSA-N 1 1 421.501 4.185 20 5 HIBDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000507700141 916481425 /nfs/dbraw/zinc/48/14/25/916481425.db2.gz WJMCTRWVRSBYRV-CQSZACIVSA-N 1 1 403.504 4.093 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000507700141 916481445 /nfs/dbraw/zinc/48/14/45/916481445.db2.gz WJMCTRWVRSBYRV-CQSZACIVSA-N 1 1 403.504 4.093 20 5 HIBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000508240401 917057863 /nfs/dbraw/zinc/05/78/63/917057863.db2.gz NBUDIHYIGKPVDQ-GOSISDBHSA-N 1 1 420.897 4.079 20 5 HIBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000508342424 917144532 /nfs/dbraw/zinc/14/45/32/917144532.db2.gz KBPNIHSJAZLBFH-ROUUACIJSA-N 1 1 410.518 4.057 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509266544 917954039 /nfs/dbraw/zinc/95/40/39/917954039.db2.gz YWGFBTTYFJGFOW-KDURUIRLSA-N 1 1 404.555 4.273 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000509414466 918076274 /nfs/dbraw/zinc/07/62/74/918076274.db2.gz CNBZHWSYQFUXPV-HXUWFJFHSA-N 1 1 418.925 4.471 20 5 HIBDMO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000509560458 918210952 /nfs/dbraw/zinc/21/09/52/918210952.db2.gz USHZUEVDOOMCOI-QHCPKHFHSA-N 1 1 419.529 4.092 20 5 HIBDMO Cn1cc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509560458 918210967 /nfs/dbraw/zinc/21/09/67/918210967.db2.gz USHZUEVDOOMCOI-QHCPKHFHSA-N 1 1 419.529 4.092 20 5 HIBDMO Cn1cc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509560458 918210981 /nfs/dbraw/zinc/21/09/81/918210981.db2.gz USHZUEVDOOMCOI-QHCPKHFHSA-N 1 1 419.529 4.092 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000509826305 918427747 /nfs/dbraw/zinc/42/77/47/918427747.db2.gz KFALDSFINCURLQ-NRFANRHFSA-N 1 1 410.518 4.179 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000510086060 918652148 /nfs/dbraw/zinc/65/21/48/918652148.db2.gz OQBWTKWAUFPSEQ-DOTOQJQBSA-N 1 1 401.894 4.279 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000510134021 918690847 /nfs/dbraw/zinc/69/08/47/918690847.db2.gz WFKGJUMYRHNDGJ-ICSRJNTNSA-N 1 1 409.530 4.289 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000510134023 918691062 /nfs/dbraw/zinc/69/10/62/918691062.db2.gz WFKGJUMYRHNDGJ-QUCCMNQESA-N 1 1 409.530 4.289 20 5 HIBDMO C[C@@H]1C[N@H+](C2CCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000510554087 918998489 /nfs/dbraw/zinc/99/84/89/918998489.db2.gz PPWIHLFKAYQJKT-LJQANCHMSA-N 1 1 424.545 4.048 20 5 HIBDMO C[C@@H]1CN(C2CC[NH+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000510554087 918998500 /nfs/dbraw/zinc/99/85/00/918998500.db2.gz PPWIHLFKAYQJKT-LJQANCHMSA-N 1 1 424.545 4.048 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000511540745 920164711 /nfs/dbraw/zinc/16/47/11/920164711.db2.gz PWHTTWJDRKSUMU-UHFFFAOYSA-N 1 1 414.453 4.172 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511633072 920296456 /nfs/dbraw/zinc/29/64/56/920296456.db2.gz ZGNATOKFHCQAFP-FQEVSTJZSA-N 1 1 400.475 4.183 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511894138 920629330 /nfs/dbraw/zinc/62/93/30/920629330.db2.gz QUASWZSVDADPNN-VAMGGRTRSA-N 1 1 407.470 4.161 20 5 HIBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000512163098 920899766 /nfs/dbraw/zinc/89/97/66/920899766.db2.gz DVOMLVCVVFMQOP-NRFANRHFSA-N 1 1 410.518 4.037 20 5 HIBDMO CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513483912 921838135 /nfs/dbraw/zinc/83/81/35/921838135.db2.gz GUEMVBLCAHSVQP-SFHVURJKSA-N 1 1 423.307 4.008 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCSc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513689344 922010569 /nfs/dbraw/zinc/01/05/69/922010569.db2.gz BPBIUPPMBRKLID-IBGZPJMESA-N 1 1 400.479 4.329 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(c3cccnn3)CC2)ccc1Oc1ccc(F)cc1 ZINC000513691542 922011979 /nfs/dbraw/zinc/01/19/79/922011979.db2.gz VJHIHIAAFLGGRX-UHFFFAOYSA-N 1 1 423.448 4.029 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCN(c3cccnn3)CC2)ccc1Oc1ccc(F)cc1 ZINC000513691542 922011988 /nfs/dbraw/zinc/01/19/88/922011988.db2.gz VJHIHIAAFLGGRX-UHFFFAOYSA-N 1 1 423.448 4.029 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513702144 922021925 /nfs/dbraw/zinc/02/19/25/922021925.db2.gz FEZWQDJQDKIHAC-GOSISDBHSA-N 1 1 420.391 4.149 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+](CCO)Cc2cccnc2)cc1 ZINC000513725134 922044841 /nfs/dbraw/zinc/04/48/41/922044841.db2.gz MTGRCRIPVGYNAF-UHFFFAOYSA-N 1 1 413.861 4.430 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+](CCO)Cc2cccnc2)cc1 ZINC000513725134 922044846 /nfs/dbraw/zinc/04/48/46/922044846.db2.gz MTGRCRIPVGYNAF-UHFFFAOYSA-N 1 1 413.861 4.430 20 5 HIBDMO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000515480938 923127902 /nfs/dbraw/zinc/12/79/02/923127902.db2.gz NGZYCOGUVHVDHJ-UHFFFAOYSA-N 1 1 409.515 4.052 20 5 HIBDMO COc1ccc(C(C)(C)C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000516100544 923542891 /nfs/dbraw/zinc/54/28/91/923542891.db2.gz SQVSZNRXDNPDKR-OAQYLSRUSA-N 1 1 424.501 4.002 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000517069025 923984887 /nfs/dbraw/zinc/98/48/87/923984887.db2.gz QOVDOKHDPPQMGI-UHFFFAOYSA-N 1 1 405.882 4.474 20 5 HIBDMO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000518031236 926969927 /nfs/dbraw/zinc/96/99/27/926969927.db2.gz ARTKBDNMVIGBRM-MSOLQXFVSA-N 1 1 410.518 4.057 20 5 HIBDMO CC1CCN(c2ccc(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000518757220 927479688 /nfs/dbraw/zinc/47/96/88/927479688.db2.gz CYVTUKHXYJKKKJ-IBGZPJMESA-N 1 1 416.566 4.073 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000521081347 928979215 /nfs/dbraw/zinc/97/92/15/928979215.db2.gz XXCBSDLHYXEDEK-MRXNPFEDSA-N 1 1 422.510 4.065 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000521081347 928979226 /nfs/dbraw/zinc/97/92/26/928979226.db2.gz XXCBSDLHYXEDEK-MRXNPFEDSA-N 1 1 422.510 4.065 20 5 HIBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000521144898 929023138 /nfs/dbraw/zinc/02/31/38/929023138.db2.gz TWHCEGIXFHYZDH-IBGZPJMESA-N 1 1 410.518 4.057 20 5 HIBDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000521686433 929366929 /nfs/dbraw/zinc/36/69/29/929366929.db2.gz XNGFXLQZFPLCQY-HXUWFJFHSA-N 1 1 407.474 4.254 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000521686433 929366952 /nfs/dbraw/zinc/36/69/52/929366952.db2.gz XNGFXLQZFPLCQY-HXUWFJFHSA-N 1 1 407.474 4.254 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@H+]3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000521686433 929366956 /nfs/dbraw/zinc/36/69/56/929366956.db2.gz XNGFXLQZFPLCQY-HXUWFJFHSA-N 1 1 407.474 4.254 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000524644581 929756373 /nfs/dbraw/zinc/75/63/73/929756373.db2.gz PNSAQYOUZYHECN-FZKQIMNGSA-N 1 1 405.545 4.191 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524653289 929764886 /nfs/dbraw/zinc/76/48/86/929764886.db2.gz SGBJYTIRPWHCDU-XJKSGUPXSA-N 1 1 403.866 4.253 20 5 HIBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000524892774 929875843 /nfs/dbraw/zinc/87/58/43/929875843.db2.gz MQYAEHCNPGRRFD-VQTJNVASSA-N 1 1 404.507 4.411 20 5 HIBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000525094039 930031355 /nfs/dbraw/zinc/03/13/55/930031355.db2.gz OFNCFTYNJJPSEQ-UHFFFAOYSA-N 1 1 418.453 4.231 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000525094039 930031360 /nfs/dbraw/zinc/03/13/60/930031360.db2.gz OFNCFTYNJJPSEQ-UHFFFAOYSA-N 1 1 418.453 4.231 20 5 HIBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000525607678 930359183 /nfs/dbraw/zinc/35/91/83/930359183.db2.gz DSIWWHILTFETNM-UHFFFAOYSA-N 1 1 421.497 4.414 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000525607678 930359189 /nfs/dbraw/zinc/35/91/89/930359189.db2.gz DSIWWHILTFETNM-UHFFFAOYSA-N 1 1 421.497 4.414 20 5 HIBDMO COc1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000530992677 930878331 /nfs/dbraw/zinc/87/83/31/930878331.db2.gz SOTNPTIKWJBETL-QGZVFWFLSA-N 1 1 422.428 4.038 20 5 HIBDMO COc1cc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531153260 930947366 /nfs/dbraw/zinc/94/73/66/930947366.db2.gz UDSXZPOVQOAEAZ-PZJWPPBQSA-N 1 1 413.518 4.145 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000532208433 931352192 /nfs/dbraw/zinc/35/21/92/931352192.db2.gz XBVARNSHAJAHHU-OAQYLSRUSA-N 1 1 414.469 4.338 20 5 HIBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532238201 931366057 /nfs/dbraw/zinc/36/60/57/931366057.db2.gz UDXHCSORTAJOGV-MBSDFSHPSA-N 1 1 418.497 4.203 20 5 HIBDMO CC1CC[NH+](C[C@@H]2CCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)CC1 ZINC000532511847 931468582 /nfs/dbraw/zinc/46/85/82/931468582.db2.gz VIYKLIRHTIRSIO-LJQANCHMSA-N 1 1 412.534 4.236 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OCC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000532969939 931720281 /nfs/dbraw/zinc/72/02/81/931720281.db2.gz LVJZCRBKRGGKIE-QGZVFWFLSA-N 1 1 403.523 4.292 20 5 HIBDMO CCC[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532974930 931722565 /nfs/dbraw/zinc/72/25/65/931722565.db2.gz AECWETCJJDTPEC-KRWDZBQOSA-N 1 1 406.280 4.379 20 5 HIBDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000533028725 931745339 /nfs/dbraw/zinc/74/53/39/931745339.db2.gz BHYWKLLECMTBJM-UHFFFAOYSA-N 1 1 416.481 4.063 20 5 HIBDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000533028725 931745347 /nfs/dbraw/zinc/74/53/47/931745347.db2.gz BHYWKLLECMTBJM-UHFFFAOYSA-N 1 1 416.481 4.063 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000533251165 931819251 /nfs/dbraw/zinc/81/92/51/931819251.db2.gz KLHRQCWYRKQSEI-LBPRGKRZSA-N 1 1 411.380 4.254 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000533251165 931819253 /nfs/dbraw/zinc/81/92/53/931819253.db2.gz KLHRQCWYRKQSEI-LBPRGKRZSA-N 1 1 411.380 4.254 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000533343322 931843038 /nfs/dbraw/zinc/84/30/38/931843038.db2.gz UNAATCYHOSPLHL-UHFFFAOYSA-N 1 1 403.523 4.043 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000533427479 931865667 /nfs/dbraw/zinc/86/56/67/931865667.db2.gz SWHPWJFYPZKCGQ-VFNWGFHPSA-N 1 1 415.515 4.111 20 5 HIBDMO COc1ccccc1-c1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cc1 ZINC000534133952 932296389 /nfs/dbraw/zinc/29/63/89/932296389.db2.gz OKMGOBWTFFFPTL-UHFFFAOYSA-N 1 1 421.497 4.343 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534246193 932362511 /nfs/dbraw/zinc/36/25/11/932362511.db2.gz COVUEZAYXBCFCY-SFHVURJKSA-N 1 1 406.486 4.060 20 5 HIBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534954965 932857078 /nfs/dbraw/zinc/85/70/78/932857078.db2.gz BAFGAOASYWKHJE-UHFFFAOYSA-N 1 1 413.905 4.377 20 5 HIBDMO C[N@@H+](C[C@@H]1CCC[C@@H]1O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000535115190 932931765 /nfs/dbraw/zinc/93/17/65/932931765.db2.gz DLLQEDFSEOQJAE-YSSFQJQWSA-N 1 1 417.893 4.021 20 5 HIBDMO CC(=O)N(c1nc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1 ZINC000535339700 933081979 /nfs/dbraw/zinc/08/19/79/933081979.db2.gz IOZDHJCRBYBHOQ-UHFFFAOYSA-N 1 1 414.462 4.207 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000535373789 933099885 /nfs/dbraw/zinc/09/98/85/933099885.db2.gz YLMSZPTZVCTBMD-KRWDZBQOSA-N 1 1 420.513 4.309 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000535694231 933349748 /nfs/dbraw/zinc/34/97/48/933349748.db2.gz REAVGMRJAUMMAS-SJLPKXTDSA-N 1 1 406.486 4.201 20 5 HIBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1c(C)noc1C ZINC000535997560 933557621 /nfs/dbraw/zinc/55/76/21/933557621.db2.gz AWTRBAPVJYWZQW-HZMBPMFUSA-N 1 1 414.384 4.286 20 5 HIBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 ZINC000537615730 938333715 /nfs/dbraw/zinc/33/37/15/938333715.db2.gz NVCZYFMZVTXIHQ-OAQYLSRUSA-N 1 1 415.877 4.143 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@@H+](CC(C)(C)O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000537634755 938341897 /nfs/dbraw/zinc/34/18/97/938341897.db2.gz RYCCUVBBBMHBGL-UHFFFAOYSA-N 1 1 413.518 4.115 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000537689130 938355241 /nfs/dbraw/zinc/35/52/41/938355241.db2.gz HBXCTDJFSQWEKJ-AUSIDOKSSA-N 1 1 418.497 4.448 20 5 HIBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537732049 938365445 /nfs/dbraw/zinc/36/54/45/938365445.db2.gz IIIQXSHDFBYWTP-IBGZPJMESA-N 1 1 420.469 4.207 20 5 HIBDMO CC[N@@H+](CCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537824576 938384626 /nfs/dbraw/zinc/38/46/26/938384626.db2.gz DRUUIGGDYOWJBX-UHFFFAOYSA-N 1 1 411.344 4.091 20 5 HIBDMO CCOC[C@H]1CC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538762409 938703980 /nfs/dbraw/zinc/70/39/80/938703980.db2.gz OIRSJEMJKHQJIW-SFHVURJKSA-N 1 1 400.475 4.041 20 5 HIBDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538796170 938714022 /nfs/dbraw/zinc/71/40/22/938714022.db2.gz SXSRJHTUQAXQAP-MISYRCLQSA-N 1 1 401.532 4.007 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1)CC(C)C ZINC000539137547 938809674 /nfs/dbraw/zinc/80/96/74/938809674.db2.gz QNFRTGOZZHGSDB-UHFFFAOYSA-N 1 1 400.523 4.296 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000539242594 938824525 /nfs/dbraw/zinc/82/45/25/938824525.db2.gz BKGHWXCHWGWUGT-SECBINFHSA-N 1 1 416.236 4.339 20 5 HIBDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([S@@](C)=O)cc1 ZINC000539529886 938873986 /nfs/dbraw/zinc/87/39/86/938873986.db2.gz FIERJQICHSXNTR-JGTBNHKDSA-N 1 1 401.513 4.307 20 5 HIBDMO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000539766587 938930448 /nfs/dbraw/zinc/93/04/48/938930448.db2.gz RHQROKJCKKMHMH-HXUWFJFHSA-N 1 1 411.502 4.042 20 5 HIBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924221 938978135 /nfs/dbraw/zinc/97/81/35/938978135.db2.gz WLPGDNZDVYYHLT-QFBILLFUSA-N 1 1 413.449 4.017 20 5 HIBDMO COc1ccccc1[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000540162165 939097642 /nfs/dbraw/zinc/09/76/42/939097642.db2.gz HTOGUKCZFIEKLS-IVZQSRNASA-N 1 1 409.442 4.293 20 5 HIBDMO CC[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540228028 939147815 /nfs/dbraw/zinc/14/78/15/939147815.db2.gz LLAQYGNOUJEFKW-CTNGQTDRSA-N 1 1 419.884 4.272 20 5 HIBDMO CC[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540228028 939147834 /nfs/dbraw/zinc/14/78/34/939147834.db2.gz LLAQYGNOUJEFKW-CTNGQTDRSA-N 1 1 419.884 4.272 20 5 HIBDMO CC[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228032 939148332 /nfs/dbraw/zinc/14/83/32/939148332.db2.gz LLAQYGNOUJEFKW-PZJWPPBQSA-N 1 1 419.884 4.272 20 5 HIBDMO CC[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228032 939148353 /nfs/dbraw/zinc/14/83/53/939148353.db2.gz LLAQYGNOUJEFKW-PZJWPPBQSA-N 1 1 419.884 4.272 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540343312 939200767 /nfs/dbraw/zinc/20/07/67/939200767.db2.gz ZXQVQAKLLZGTEA-VIFPVBQESA-N 1 1 416.236 4.339 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000540424869 939244324 /nfs/dbraw/zinc/24/43/24/939244324.db2.gz SAMAESMXGVPZRM-LJQANCHMSA-N 1 1 407.417 4.197 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000540424867 939244572 /nfs/dbraw/zinc/24/45/72/939244572.db2.gz SAMAESMXGVPZRM-IBGZPJMESA-N 1 1 407.417 4.197 20 5 HIBDMO C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 ZINC000540537368 939295310 /nfs/dbraw/zinc/29/53/10/939295310.db2.gz MYSBCJNGHXJKCH-UHFFFAOYSA-N 1 1 417.918 4.391 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000541263050 939488302 /nfs/dbraw/zinc/48/83/02/939488302.db2.gz VADFFENWOFMFBJ-HKUYNNGSSA-N 1 1 413.543 4.198 20 5 HIBDMO COc1ccc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000541273587 939488801 /nfs/dbraw/zinc/48/88/01/939488801.db2.gz XOSGINWAVOLARG-UHFFFAOYSA-N 1 1 405.454 4.488 20 5 HIBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541299007 939489983 /nfs/dbraw/zinc/48/99/83/939489983.db2.gz QSMAHTHMJIKFBB-UHFFFAOYSA-N 1 1 422.312 4.225 20 5 HIBDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000541307753 939490365 /nfs/dbraw/zinc/49/03/65/939490365.db2.gz PZLDLQJFFOSTPL-UHFFFAOYSA-N 1 1 415.493 4.425 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]C[C@H](O)COc2cccc(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547496 939551055 /nfs/dbraw/zinc/55/10/55/939551055.db2.gz YKKXOQNGYMNBIU-CVDCTZTESA-N 1 1 410.470 4.178 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@H+]1C ZINC000541584231 939560343 /nfs/dbraw/zinc/56/03/43/939560343.db2.gz ZWLREAZPRWPOMS-WBVHZDCISA-N 1 1 405.564 4.432 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000541773074 939626964 /nfs/dbraw/zinc/62/69/64/939626964.db2.gz PMHJNJSRMPLFMP-LBPRGKRZSA-N 1 1 407.264 4.288 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000541985782 939670527 /nfs/dbraw/zinc/67/05/27/939670527.db2.gz NLGPISMRVYTUNZ-SCTDSRPQSA-N 1 1 407.555 4.333 20 5 HIBDMO COc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000542037107 939694978 /nfs/dbraw/zinc/69/49/78/939694978.db2.gz WDUDFOWRWNBMAU-HSZRJFAPSA-N 1 1 424.501 4.123 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542478998 939830098 /nfs/dbraw/zinc/83/00/98/939830098.db2.gz LTANGXWCWDFUOI-GCJKJVERSA-N 1 1 414.433 4.008 20 5 HIBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560268 940108903 /nfs/dbraw/zinc/10/89/03/940108903.db2.gz ZRBRHENBKUAAMQ-HKUYNNGSSA-N 1 1 412.421 4.136 20 5 HIBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000544118261 940330872 /nfs/dbraw/zinc/33/08/72/940330872.db2.gz SRHGKLPPJSWXLL-MGPUTAFESA-N 1 1 413.474 4.024 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544398977 940412019 /nfs/dbraw/zinc/41/20/19/940412019.db2.gz JHDNBQRHHUADPO-PKOBYXMFSA-N 1 1 413.493 4.208 20 5 HIBDMO COc1cc(C[N@@H+](C)CCc2ccncc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000544599082 940487373 /nfs/dbraw/zinc/48/73/73/940487373.db2.gz SMFNRDSZNHAIGN-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626251 940493515 /nfs/dbraw/zinc/49/35/15/940493515.db2.gz OEWGPVLEWLFTKT-MJGOQNOKSA-N 1 1 404.438 4.103 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000545142446 940549291 /nfs/dbraw/zinc/54/92/91/940549291.db2.gz RMNTWKLUFRFGGG-RBUKOAKNSA-N 1 1 419.884 4.227 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000545142446 940549292 /nfs/dbraw/zinc/54/92/92/940549292.db2.gz RMNTWKLUFRFGGG-RBUKOAKNSA-N 1 1 419.884 4.227 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000545142447 940549440 /nfs/dbraw/zinc/54/94/40/940549440.db2.gz RMNTWKLUFRFGGG-RTBURBONSA-N 1 1 419.884 4.227 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000545142447 940549441 /nfs/dbraw/zinc/54/94/41/940549441.db2.gz RMNTWKLUFRFGGG-RTBURBONSA-N 1 1 419.884 4.227 20 5 HIBDMO CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545478279 940571533 /nfs/dbraw/zinc/57/15/33/940571533.db2.gz VFWOKPKZYITJOI-QGZVFWFLSA-N 1 1 421.419 4.350 20 5 HIBDMO Cc1cc(Cc2noc(-c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)ccc1[N+](=O)[O-] ZINC000546558453 940852561 /nfs/dbraw/zinc/85/25/61/940852561.db2.gz UXSXRHDDXAPQRM-CALCHBBNSA-N 1 1 422.485 4.153 20 5 HIBDMO C[C@H](c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1)[NH+]1CCOCC1 ZINC000547241635 941041157 /nfs/dbraw/zinc/04/11/57/941041157.db2.gz QXDNRCZRJVQUCE-OAHLLOKOSA-N 1 1 415.465 4.043 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547263885 941047699 /nfs/dbraw/zinc/04/76/99/941047699.db2.gz KNBURNBPXIUZOD-DLBZAZTESA-N 1 1 405.514 4.125 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549252203 941174299 /nfs/dbraw/zinc/17/42/99/941174299.db2.gz BBGFBPIFDBRRSB-FQEVSTJZSA-N 1 1 412.490 4.026 20 5 HIBDMO C[C@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000550757083 941363599 /nfs/dbraw/zinc/36/35/99/941363599.db2.gz LXQAXPWSTNVGKP-CYBMUJFWSA-N 1 1 423.391 4.259 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000550965090 941388027 /nfs/dbraw/zinc/38/80/27/941388027.db2.gz MLWNVKDVTFIYPJ-UHFFFAOYSA-N 1 1 409.408 4.384 20 5 HIBDMO CC(C)(C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1[N+](=O)[O-] ZINC000551362565 941461728 /nfs/dbraw/zinc/46/17/28/941461728.db2.gz FJUREIQGKYGGLF-RUZDIDTESA-N 1 1 421.541 4.387 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000552067149 941578416 /nfs/dbraw/zinc/57/84/16/941578416.db2.gz AIXCNBJQGDEKJU-FQEVSTJZSA-N 1 1 400.429 4.308 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552066554 941578559 /nfs/dbraw/zinc/57/85/59/941578559.db2.gz NTHQXBZOAGUXSL-BHDDXSALSA-N 1 1 420.513 4.391 20 5 HIBDMO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552277375 941621036 /nfs/dbraw/zinc/62/10/36/941621036.db2.gz SPLUTKAKYOQJNX-HXUWFJFHSA-N 1 1 414.893 4.302 20 5 HIBDMO CCc1ccc([C@H]([NH2+]CCn2cc(Br)cn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000552335281 941635473 /nfs/dbraw/zinc/63/54/73/941635473.db2.gz NCXATEYBUXNLAK-GOSISDBHSA-N 1 1 419.279 4.088 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553175300 941844645 /nfs/dbraw/zinc/84/46/45/941844645.db2.gz ZHMQQWXZRGJONM-WIOPSUGQSA-N 1 1 421.541 4.288 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000553313647 941866043 /nfs/dbraw/zinc/86/60/43/941866043.db2.gz UDCBTRDAZSYPGY-NRFANRHFSA-N 1 1 419.481 4.389 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000555598194 942661956 /nfs/dbraw/zinc/66/19/56/942661956.db2.gz UTTJKHROLIZLSW-ISKFKSNPSA-N 1 1 422.529 4.001 20 5 HIBDMO COc1cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000556067771 942800735 /nfs/dbraw/zinc/80/07/35/942800735.db2.gz HMLAGPHTSUFWNS-SFHVURJKSA-N 1 1 410.417 4.054 20 5 HIBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000556408945 942858781 /nfs/dbraw/zinc/85/87/81/942858781.db2.gz LABVPBHFEGXAME-OAHLLOKOSA-N 1 1 414.483 4.499 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)s1 ZINC000556827872 942936587 /nfs/dbraw/zinc/93/65/87/942936587.db2.gz OXFXAFXFDYJWIP-OAHLLOKOSA-N 1 1 412.515 4.040 20 5 HIBDMO COc1ccccc1C1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000556892975 942954134 /nfs/dbraw/zinc/95/41/34/942954134.db2.gz RFALNLMDNFEAJV-NRFANRHFSA-N 1 1 406.486 4.138 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](c3cccnc3)C(C)(C)CO)o2)c([N+](=O)[O-])c1 ZINC000556927788 942970591 /nfs/dbraw/zinc/97/05/91/942970591.db2.gz WMKHYEPNTSGNJP-NRFANRHFSA-N 1 1 411.458 4.108 20 5 HIBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995914 942990647 /nfs/dbraw/zinc/99/06/47/942990647.db2.gz YZLYROWNLVJBPD-ZIAGYGMSSA-N 1 1 401.429 4.130 20 5 HIBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995914 942990651 /nfs/dbraw/zinc/99/06/51/942990651.db2.gz YZLYROWNLVJBPD-ZIAGYGMSSA-N 1 1 401.429 4.130 20 5 HIBDMO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000559002325 943797520 /nfs/dbraw/zinc/79/75/20/943797520.db2.gz WDLIOOYAXCPCIA-UHFFFAOYSA-N 1 1 421.419 4.180 20 5 HIBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000560073710 944149490 /nfs/dbraw/zinc/14/94/90/944149490.db2.gz ZLGPGPKOJCHPIJ-UHFFFAOYSA-N 1 1 403.482 4.256 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000560526515 944242452 /nfs/dbraw/zinc/24/24/52/944242452.db2.gz GCPDIJVPWCIHGX-SFHVURJKSA-N 1 1 404.392 4.269 20 5 HIBDMO Cn1ccnc1[C@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528597 944243514 /nfs/dbraw/zinc/24/35/14/944243514.db2.gz JFBNDVXUJUVPEO-FGZHOGPDSA-N 1 1 411.550 4.052 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000560530106 944243830 /nfs/dbraw/zinc/24/38/30/944243830.db2.gz ZOCDVHNTQGMGOR-SFHVURJKSA-N 1 1 415.291 4.013 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000560546744 944250213 /nfs/dbraw/zinc/25/02/13/944250213.db2.gz YBGVJSCHUSJMMC-SFHVURJKSA-N 1 1 420.391 4.149 20 5 HIBDMO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000560648414 944284114 /nfs/dbraw/zinc/28/41/14/944284114.db2.gz ZWGVGNXSVYQJLV-UHFFFAOYSA-N 1 1 403.526 4.089 20 5 HIBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000560648414 944284125 /nfs/dbraw/zinc/28/41/25/944284125.db2.gz ZWGVGNXSVYQJLV-UHFFFAOYSA-N 1 1 403.526 4.089 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cs2)c1 ZINC000560680600 944292597 /nfs/dbraw/zinc/29/25/97/944292597.db2.gz LMTDSIRRTCEALG-OAHLLOKOSA-N 1 1 410.503 4.093 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cs2)c1 ZINC000560680600 944292604 /nfs/dbraw/zinc/29/26/04/944292604.db2.gz LMTDSIRRTCEALG-OAHLLOKOSA-N 1 1 410.503 4.093 20 5 HIBDMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000561423236 944591557 /nfs/dbraw/zinc/59/15/57/944591557.db2.gz PRUUHVRUNHJDIG-OWZDWXTDSA-N 1 1 419.884 4.300 20 5 HIBDMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000561423238 944591635 /nfs/dbraw/zinc/59/16/35/944591635.db2.gz PRUUHVRUNHJDIG-ZSOFBXJNSA-N 1 1 419.884 4.300 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562056365 944915176 /nfs/dbraw/zinc/91/51/76/944915176.db2.gz GOUAXUPLVLOSIS-IAGOWNOFSA-N 1 1 414.893 4.234 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000564521256 945649477 /nfs/dbraw/zinc/64/94/77/945649477.db2.gz MSKIEMCLULXKBE-SFHVURJKSA-N 1 1 413.543 4.349 20 5 HIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000565334394 945814751 /nfs/dbraw/zinc/81/47/51/945814751.db2.gz MAZOIJULIKUPPG-UNMCSNQZSA-N 1 1 424.501 4.265 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)co2)cc1 ZINC000568143202 946480586 /nfs/dbraw/zinc/48/05/86/946480586.db2.gz HIIYDZVERVTGGK-LEWJYISDSA-N 1 1 418.497 4.204 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000571063909 947457710 /nfs/dbraw/zinc/45/77/10/947457710.db2.gz VAAKRZJGKJBDKG-KRWDZBQOSA-N 1 1 417.456 4.214 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000571147028 947528604 /nfs/dbraw/zinc/52/86/04/947528604.db2.gz ZFONJCVAGVTJPF-HXUWFJFHSA-N 1 1 421.501 4.035 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000573018459 948059332 /nfs/dbraw/zinc/05/93/32/948059332.db2.gz OZDIICSMEWMHHA-QRVBRYPASA-N 1 1 404.413 4.201 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000573990596 948342582 /nfs/dbraw/zinc/34/25/82/948342582.db2.gz YRDUWHLXKQVZMQ-UHFFFAOYSA-N 1 1 410.449 4.342 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@](CO)(Cc4ccc(F)cc4)C3)o2)cc1 ZINC000574845404 948542082 /nfs/dbraw/zinc/54/20/82/948542082.db2.gz BXYKGIIGFLEHIO-QHCPKHFHSA-N 1 1 410.445 4.421 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164626091 719066171 /nfs/dbraw/zinc/06/61/71/719066171.db2.gz NZWGMGHPNLCRGS-WBVHZDCISA-N 1 1 422.863 4.289 20 5 HIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618519 719074586 /nfs/dbraw/zinc/07/45/86/719074586.db2.gz AZJJVKYEHZFTDL-HOCLYGCPSA-N 1 1 407.301 4.397 20 5 HIBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164635837 719255422 /nfs/dbraw/zinc/25/54/22/719255422.db2.gz QRZQFPUQEZCMLE-DLBZAZTESA-N 1 1 406.486 4.251 20 5 HIBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726928 720441589 /nfs/dbraw/zinc/44/15/89/720441589.db2.gz CGXQVXMDKRWWSJ-MOPGFXCFSA-N 1 1 409.877 4.045 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001165027357 721810391 /nfs/dbraw/zinc/81/03/91/721810391.db2.gz UJIWKYVKKWDXPU-HLAWJBBLSA-N 1 1 417.513 4.275 20 5 HIBDMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436091167 861371392 /nfs/dbraw/zinc/37/13/92/861371392.db2.gz UBIGPFYNXUUJLS-FQEVSTJZSA-N 1 1 411.505 4.076 20 5 HIBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436091167 861371400 /nfs/dbraw/zinc/37/14/00/861371400.db2.gz UBIGPFYNXUUJLS-FQEVSTJZSA-N 1 1 411.505 4.076 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000015049606 846005573 /nfs/dbraw/zinc/00/55/73/846005573.db2.gz KYMGTPCXHCVGHS-ZDUSSCGKSA-N 1 1 402.838 4.370 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000015049606 846005580 /nfs/dbraw/zinc/00/55/80/846005580.db2.gz KYMGTPCXHCVGHS-ZDUSSCGKSA-N 1 1 402.838 4.370 20 5 HIBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024316602 846812829 /nfs/dbraw/zinc/81/28/29/846812829.db2.gz FCHVTPNGCFRTAZ-UHFFFAOYSA-N 1 1 409.873 4.359 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000026225753 847106549 /nfs/dbraw/zinc/10/65/49/847106549.db2.gz WBTBBAGIBPENRX-UHFFFAOYSA-N 1 1 411.380 4.083 20 5 HIBDMO COc1cc(C[N@H+](C)CCOc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000027373598 847291311 /nfs/dbraw/zinc/29/13/11/847291311.db2.gz UAFOVISSMYRMKZ-UHFFFAOYSA-N 1 1 416.808 4.369 20 5 HIBDMO COc1cc(C[N@@H+](C)CCOc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000027373598 847291321 /nfs/dbraw/zinc/29/13/21/847291321.db2.gz UAFOVISSMYRMKZ-UHFFFAOYSA-N 1 1 416.808 4.369 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000041894401 848262792 /nfs/dbraw/zinc/26/27/92/848262792.db2.gz BDENJRJACNJQQH-ZDUSSCGKSA-N 1 1 414.487 4.235 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000045789350 848728283 /nfs/dbraw/zinc/72/82/83/848728283.db2.gz QWWHCRKPNVTKIK-SFHVURJKSA-N 1 1 410.518 4.168 20 5 HIBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046846224 848947608 /nfs/dbraw/zinc/94/76/08/848947608.db2.gz QQZDXVNMEHZDLU-NRFANRHFSA-N 1 1 421.522 4.115 20 5 HIBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046846224 848947611 /nfs/dbraw/zinc/94/76/11/848947611.db2.gz QQZDXVNMEHZDLU-NRFANRHFSA-N 1 1 421.522 4.115 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000050629634 849400069 /nfs/dbraw/zinc/40/00/69/849400069.db2.gz ZWYXBPGTENTKHL-RVKKMQEKSA-N 1 1 414.531 4.196 20 5 HIBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000054396512 849860749 /nfs/dbraw/zinc/86/07/49/849860749.db2.gz SUBAXRKVBSQKSZ-LBPRGKRZSA-N 1 1 407.392 4.438 20 5 HIBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000054396512 849860755 /nfs/dbraw/zinc/86/07/55/849860755.db2.gz SUBAXRKVBSQKSZ-LBPRGKRZSA-N 1 1 407.392 4.438 20 5 HIBDMO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000055941513 850210741 /nfs/dbraw/zinc/21/07/41/850210741.db2.gz IHPSGIVCYGDKNH-ZHRRBRCNSA-N 1 1 405.454 4.310 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000063492249 851702489 /nfs/dbraw/zinc/70/24/89/851702489.db2.gz JRCIQWBCXAHLGE-NRFANRHFSA-N 1 1 401.466 4.489 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000063492249 851702491 /nfs/dbraw/zinc/70/24/91/851702491.db2.gz JRCIQWBCXAHLGE-NRFANRHFSA-N 1 1 401.466 4.489 20 5 HIBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063560067 851714078 /nfs/dbraw/zinc/71/40/78/851714078.db2.gz DLMCTIBKVCTUKU-GOSISDBHSA-N 1 1 412.408 4.264 20 5 HIBDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000064448187 851900218 /nfs/dbraw/zinc/90/02/18/851900218.db2.gz CZXYAGBAXMOIIV-UHFFFAOYSA-N 1 1 421.419 4.350 20 5 HIBDMO Cc1c(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cccc1[N+](=O)[O-] ZINC000072005185 852460222 /nfs/dbraw/zinc/46/02/22/852460222.db2.gz LBFPTIDCFJAXJH-UHFFFAOYSA-N 1 1 421.419 4.316 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1F ZINC000108990798 852905258 /nfs/dbraw/zinc/90/52/58/852905258.db2.gz HRPVFUHZHXXPGO-CYBMUJFWSA-N 1 1 414.462 4.025 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140149081 853435857 /nfs/dbraw/zinc/43/58/57/853435857.db2.gz VCTLPWFBEALWCN-HOTGVXAUSA-N 1 1 419.572 4.165 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000216077096 853843172 /nfs/dbraw/zinc/84/31/72/853843172.db2.gz WEALJFPPUSSVHE-JOCHJYFZSA-N 1 1 404.470 4.153 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000216077096 853843177 /nfs/dbraw/zinc/84/31/77/853843177.db2.gz WEALJFPPUSSVHE-JOCHJYFZSA-N 1 1 404.470 4.153 20 5 HIBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000216557953 853856006 /nfs/dbraw/zinc/85/60/06/853856006.db2.gz BZIMJAFDXVBONW-AWEZNQCLSA-N 1 1 400.385 4.303 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC[N@H+]4CCCC[C@@H]34)o2)c(Br)c1 ZINC000236569500 853899651 /nfs/dbraw/zinc/89/96/51/853899651.db2.gz NIEDXKVNRWPGMS-MSOLQXFVSA-N 1 1 420.307 4.334 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCN4CCCC[C@@H]34)o2)c(Br)c1 ZINC000236569500 853899653 /nfs/dbraw/zinc/89/96/53/853899653.db2.gz NIEDXKVNRWPGMS-MSOLQXFVSA-N 1 1 420.307 4.334 20 5 HIBDMO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000236741083 853918559 /nfs/dbraw/zinc/91/85/59/853918559.db2.gz BARQFFQSMQNHIR-INIZCTEOSA-N 1 1 420.531 4.342 20 5 HIBDMO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000237172748 853975383 /nfs/dbraw/zinc/97/53/83/853975383.db2.gz CMFTZDDVGICCQR-KRWDZBQOSA-N 1 1 408.296 4.047 20 5 HIBDMO COc1ccc(C[NH2+]Cc2nccn2C(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237254076 853991904 /nfs/dbraw/zinc/99/19/04/853991904.db2.gz ZYLYZOHULKOVMJ-UHFFFAOYSA-N 1 1 418.400 4.064 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237309563 854003988 /nfs/dbraw/zinc/00/39/88/854003988.db2.gz UOAFLHBOIXGMLV-UHFFFAOYSA-N 1 1 402.344 4.282 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cnn(Cc4ccccc4)c3)o2)c([N+](=O)[O-])c1 ZINC000237422296 854029754 /nfs/dbraw/zinc/02/97/54/854029754.db2.gz LACNYTBJKZYHTJ-UHFFFAOYSA-N 1 1 418.453 4.398 20 5 HIBDMO C[C@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000237559707 854054049 /nfs/dbraw/zinc/05/40/49/854054049.db2.gz TWACOGXSNDOMGT-FXAWDEMLSA-N 1 1 417.513 4.162 20 5 HIBDMO C[C@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000237559707 854054058 /nfs/dbraw/zinc/05/40/58/854054058.db2.gz TWACOGXSNDOMGT-FXAWDEMLSA-N 1 1 417.513 4.162 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cc(Cl)c4c(c3)OCCO4)cs2)c1 ZINC000237825004 854104103 /nfs/dbraw/zinc/10/41/03/854104103.db2.gz PLXQBVBIEMSKBN-UHFFFAOYSA-N 1 1 417.874 4.433 20 5 HIBDMO Cn1cc(C[NH2+]Cc2cc(F)ccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931198 854120881 /nfs/dbraw/zinc/12/08/81/854120881.db2.gz GIRSJMRTYYOJGU-UHFFFAOYSA-N 1 1 419.254 4.187 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301534363 854415074 /nfs/dbraw/zinc/41/50/74/854415074.db2.gz LDWFVPFOELIBSY-XLIONFOSSA-N 1 1 410.518 4.198 20 5 HIBDMO Cc1nc(N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000301632380 854434128 /nfs/dbraw/zinc/43/41/28/854434128.db2.gz JQMDUKMIKZMTOW-UHFFFAOYSA-N 1 1 408.424 4.418 20 5 HIBDMO Cc1cc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)ncc1[N+](=O)[O-] ZINC000301664536 854440083 /nfs/dbraw/zinc/44/00/83/854440083.db2.gz LMCJMNYTCZVVPC-UHFFFAOYSA-N 1 1 405.296 4.137 20 5 HIBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301697908 854447034 /nfs/dbraw/zinc/44/70/34/854447034.db2.gz CVEXEYHTUCICMJ-NSHDSACASA-N 1 1 402.804 4.460 20 5 HIBDMO O=C(c1ccccc1)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301753788 854459589 /nfs/dbraw/zinc/45/95/89/854459589.db2.gz CAPZKXNJWAARRK-PZJWPPBQSA-N 1 1 405.498 4.279 20 5 HIBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1-c1ccccc1 ZINC000301873816 854482390 /nfs/dbraw/zinc/48/23/90/854482390.db2.gz LONUCMKUQZWJBA-UHFFFAOYSA-N 1 1 404.470 4.101 20 5 HIBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000301923384 854494267 /nfs/dbraw/zinc/49/42/67/854494267.db2.gz HEXKXBDIGFFRFZ-UHFFFAOYSA-N 1 1 408.424 4.418 20 5 HIBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000303156777 854790357 /nfs/dbraw/zinc/79/03/57/854790357.db2.gz SLVIMKRQGLEDLF-INIZCTEOSA-N 1 1 408.458 4.141 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000303487045 854978811 /nfs/dbraw/zinc/97/88/11/854978811.db2.gz RIUSJIIVBGZKJF-UHFFFAOYSA-N 1 1 410.449 4.342 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000303745830 855167930 /nfs/dbraw/zinc/16/79/30/855167930.db2.gz JWMZBERHVRXDDS-DYESRHJHSA-N 1 1 422.529 4.294 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000303775427 855192052 /nfs/dbraw/zinc/19/20/52/855192052.db2.gz JXLQTEVBKFDOPW-CQSZACIVSA-N 1 1 405.882 4.148 20 5 HIBDMO Cc1csc(Sc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000303844266 855241059 /nfs/dbraw/zinc/24/10/59/855241059.db2.gz IYERCLAQPNFNGR-UKRRQHHQSA-N 1 1 420.560 4.066 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000303864504 855258718 /nfs/dbraw/zinc/25/87/18/855258718.db2.gz HACLDQYQNQJOOV-UHFFFAOYSA-N 1 1 401.463 4.360 20 5 HIBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000426570503 856353246 /nfs/dbraw/zinc/35/32/46/856353246.db2.gz MFIHBXSAMMVVOF-MRXNPFEDSA-N 1 1 401.532 4.008 20 5 HIBDMO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000426890886 856528515 /nfs/dbraw/zinc/52/85/15/856528515.db2.gz MPPBUBZPFVZCLH-UHFFFAOYSA-N 1 1 423.513 4.264 20 5 HIBDMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427570256 856871850 /nfs/dbraw/zinc/87/18/50/856871850.db2.gz SOWMFNPBWRRXNO-IBGZPJMESA-N 1 1 411.477 4.137 20 5 HIBDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000428080248 857064866 /nfs/dbraw/zinc/06/48/66/857064866.db2.gz YQWCESQSOBIYMQ-OAQYLSRUSA-N 1 1 406.486 4.183 20 5 HIBDMO COc1cc(C[N@@H+](C)CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000428447446 857206215 /nfs/dbraw/zinc/20/62/15/857206215.db2.gz MNEQTYBSVQUHBS-UHFFFAOYSA-N 1 1 420.428 4.062 20 5 HIBDMO CC(C)([NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429241817 857570144 /nfs/dbraw/zinc/57/01/44/857570144.db2.gz ZBPTTYAYOJCSOR-NRFANRHFSA-N 1 1 409.511 4.387 20 5 HIBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000430107075 858033991 /nfs/dbraw/zinc/03/39/91/858033991.db2.gz SRDFYUOLKCMLEH-QFIPXVFZSA-N 1 1 423.494 4.035 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000430195232 858076249 /nfs/dbraw/zinc/07/62/49/858076249.db2.gz NPFAVBOMASGUBT-UHFFFAOYSA-N 1 1 400.475 4.054 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000430228263 858090071 /nfs/dbraw/zinc/09/00/71/858090071.db2.gz RTGITULBWRZFFW-INIZCTEOSA-N 1 1 423.469 4.437 20 5 HIBDMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000431146561 858469565 /nfs/dbraw/zinc/46/95/65/858469565.db2.gz PZMXYNATBFBZDE-UHFFFAOYSA-N 1 1 417.531 4.182 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431335701 858571066 /nfs/dbraw/zinc/57/10/66/858571066.db2.gz DZRVWIZYZIHHOX-GJZGRUSLSA-N 1 1 424.339 4.084 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000431671303 858729014 /nfs/dbraw/zinc/72/90/14/858729014.db2.gz SWGFQQBPDZHWQK-PXNSSMCTSA-N 1 1 410.518 4.182 20 5 HIBDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000434989693 860588060 /nfs/dbraw/zinc/58/80/60/860588060.db2.gz BXVXRPYAHBHJBV-LJQANCHMSA-N 1 1 413.543 4.403 20 5 HIBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000434989693 860588064 /nfs/dbraw/zinc/58/80/64/860588064.db2.gz BXVXRPYAHBHJBV-LJQANCHMSA-N 1 1 413.543 4.403 20 5 HIBDMO Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435300654 860726562 /nfs/dbraw/zinc/72/65/62/860726562.db2.gz VWJQZWSFBXEUEK-FQEVSTJZSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435300655 860726844 /nfs/dbraw/zinc/72/68/44/860726844.db2.gz VWJQZWSFBXEUEK-HXUWFJFHSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1c(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435330164 860741616 /nfs/dbraw/zinc/74/16/16/860741616.db2.gz RYRNDGRQAIVGKW-AWEZNQCLSA-N 1 1 413.316 4.004 20 5 HIBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467807042 881631471 /nfs/dbraw/zinc/63/14/71/881631471.db2.gz LQUMCSPCKYKSLB-UGSOOPFHSA-N 1 1 415.877 4.253 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000437979985 863347202 /nfs/dbraw/zinc/34/72/02/863347202.db2.gz ZNHOEEHGQHGKJY-RXVVDRJESA-N 1 1 422.529 4.322 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000437979986 863347400 /nfs/dbraw/zinc/34/74/00/863347400.db2.gz ZNHOEEHGQHGKJY-WIYYLYMNSA-N 1 1 422.529 4.322 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438341242 863813841 /nfs/dbraw/zinc/81/38/41/863813841.db2.gz APZMWKDCKANZOI-NRFANRHFSA-N 1 1 400.523 4.066 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000439169053 864598203 /nfs/dbraw/zinc/59/82/03/864598203.db2.gz MCSHDYJIQWIPRS-ACJLOTCBSA-N 1 1 407.923 4.431 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000439907016 865217154 /nfs/dbraw/zinc/21/71/54/865217154.db2.gz XGFACICKOMEABW-UHFFFAOYSA-N 1 1 418.538 4.359 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440445422 865747002 /nfs/dbraw/zinc/74/70/02/865747002.db2.gz RFNRZXORAPDJLP-QGZVFWFLSA-N 1 1 421.419 4.121 20 5 HIBDMO CO[C@H](C)c1nc(CN2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250673 882156209 /nfs/dbraw/zinc/15/62/09/882156209.db2.gz LPSPEKKGMCYRNP-JKSUJKDBSA-N 1 1 404.536 4.028 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443597304 868151543 /nfs/dbraw/zinc/15/15/43/868151543.db2.gz CTRIYMPKRMQYAZ-QGZVFWFLSA-N 1 1 413.522 4.294 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000444656936 868935525 /nfs/dbraw/zinc/93/55/25/868935525.db2.gz IVIVBEOFMLZCRA-RYUDHWBXSA-N 1 1 403.389 4.017 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F ZINC000444683601 868958357 /nfs/dbraw/zinc/95/83/57/868958357.db2.gz YOBAZFIINHKWBI-SNVBAGLBSA-N 1 1 423.807 4.282 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[N@H+]1Cc1ccccc1 ZINC000444990852 869147901 /nfs/dbraw/zinc/14/79/01/869147901.db2.gz JQJBOVLBLYISRC-MJGOQNOKSA-N 1 1 411.505 4.074 20 5 HIBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445181149 869263878 /nfs/dbraw/zinc/26/38/78/869263878.db2.gz HAZXBIKGIJTHIK-KRWDZBQOSA-N 1 1 405.542 4.312 20 5 HIBDMO CC[NH+](CC)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccco1 ZINC000445191500 869267953 /nfs/dbraw/zinc/26/79/53/869267953.db2.gz XMQAYYNIELWKHU-HXUWFJFHSA-N 1 1 403.482 4.087 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000446494132 870408959 /nfs/dbraw/zinc/40/89/59/870408959.db2.gz JVOUCOOHRDOPIV-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000446494132 870408971 /nfs/dbraw/zinc/40/89/71/870408971.db2.gz JVOUCOOHRDOPIV-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850038 870771319 /nfs/dbraw/zinc/77/13/19/870771319.db2.gz URMMPEDPNNRNAX-UHFFFAOYSA-N 1 1 418.501 4.303 20 5 HIBDMO O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000447378048 871284625 /nfs/dbraw/zinc/28/46/25/871284625.db2.gz ZKRRTEHQAUHMFA-GFCCVEGCSA-N 1 1 422.304 4.044 20 5 HIBDMO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000447535512 871399214 /nfs/dbraw/zinc/39/92/14/871399214.db2.gz GQXONLWANIEGKI-GGUMNFRJSA-N 1 1 409.530 4.371 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cn3cc(Br)ccc3n1)CCC2 ZINC000447535233 871400688 /nfs/dbraw/zinc/40/06/88/871400688.db2.gz DQDDDVOJILOTFU-KRWDZBQOSA-N 1 1 401.264 4.172 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CCO)c1ccccc1Br)CCC2 ZINC000447607069 871514526 /nfs/dbraw/zinc/51/45/26/871514526.db2.gz POBVPBGHFFCLPN-MOPGFXCFSA-N 1 1 405.292 4.448 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000447670202 871599667 /nfs/dbraw/zinc/59/96/67/871599667.db2.gz ITKHZDZEKUQIEI-DGCLKSJQSA-N 1 1 420.382 4.097 20 5 HIBDMO COc1cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448357288 872304184 /nfs/dbraw/zinc/30/41/84/872304184.db2.gz WGGVWVFTNPNLRF-LAUBAEHRSA-N 1 1 414.502 4.308 20 5 HIBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448450634 872397770 /nfs/dbraw/zinc/39/77/70/872397770.db2.gz VKUCVRAISDJMCE-JTSKRJEESA-N 1 1 421.497 4.476 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000468652800 882788842 /nfs/dbraw/zinc/78/88/42/882788842.db2.gz SKOFYKXHLWXTHH-ZWUNQBBJSA-N 1 1 409.530 4.488 20 5 HIBDMO COc1c(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C)nn1C ZINC000461409051 874423129 /nfs/dbraw/zinc/42/31/29/874423129.db2.gz VOONOTFOPPKRTC-UHFFFAOYSA-N 1 1 416.865 4.381 20 5 HIBDMO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461864420 875015509 /nfs/dbraw/zinc/01/55/09/875015509.db2.gz KQHZSIQHFVDTEM-SCLBCKFNSA-N 1 1 411.428 4.151 20 5 HIBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000468875779 882907400 /nfs/dbraw/zinc/90/74/00/882907400.db2.gz HGPRUSONWZHNRX-OAHLLOKOSA-N 1 1 416.909 4.371 20 5 HIBDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000462447467 875554602 /nfs/dbraw/zinc/55/46/02/875554602.db2.gz OIWTYBXOQXXGGO-KGLIPLIRSA-N 1 1 422.938 4.016 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc1SC ZINC000462763404 875826135 /nfs/dbraw/zinc/82/61/35/875826135.db2.gz OMNPBMOJXMWWBX-UHFFFAOYSA-N 1 1 412.471 4.380 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](n4cccn4)C3)o2)c(Br)c1 ZINC000463032277 876052282 /nfs/dbraw/zinc/05/22/82/876052282.db2.gz HRTZXCLTZVDZEY-CQSZACIVSA-N 1 1 417.263 4.261 20 5 HIBDMO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000463056939 876084226 /nfs/dbraw/zinc/08/42/26/876084226.db2.gz NYZVZNPHHLFMOV-SFHVURJKSA-N 1 1 416.524 4.199 20 5 HIBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000463197908 876258039 /nfs/dbraw/zinc/25/80/39/876258039.db2.gz KIGDQUICCLSKAO-OTNPHJDUSA-N 1 1 413.518 4.444 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)c3ccc(Br)cc3)o2)c1 ZINC000503243652 912224048 /nfs/dbraw/zinc/22/40/48/912224048.db2.gz IHFLGMLCTMGBFS-SFHVURJKSA-N 1 1 417.259 4.441 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)c3ccc(Br)cc3)o2)cc1 ZINC000503265512 912246665 /nfs/dbraw/zinc/24/66/65/912246665.db2.gz MIKMSFQKAJLLTF-GOSISDBHSA-N 1 1 417.259 4.441 20 5 HIBDMO COc1cc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000464491856 877711215 /nfs/dbraw/zinc/71/12/15/877711215.db2.gz BYQBSIKHZFOOPW-GOSISDBHSA-N 1 1 404.438 4.224 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732515 877969818 /nfs/dbraw/zinc/96/98/18/877969818.db2.gz HKSVKILURLTFTM-GDBMZVCRSA-N 1 1 401.429 4.169 20 5 HIBDMO Cc1ccc(CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]2CCCO2)cc1 ZINC000464774094 878017313 /nfs/dbraw/zinc/01/73/13/878017313.db2.gz HYRNHNHBZBTYSI-NRFANRHFSA-N 1 1 422.485 4.177 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(N4CCc5ccccc54)CC3)co2)cc1 ZINC000503374331 912354564 /nfs/dbraw/zinc/35/45/64/912354564.db2.gz JUHDRMLBSGUBET-UHFFFAOYSA-N 1 1 404.470 4.277 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000465180948 878569659 /nfs/dbraw/zinc/56/96/59/878569659.db2.gz BQOVZXDMLIHONG-OAHLLOKOSA-N 1 1 408.458 4.049 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000503417001 912402088 /nfs/dbraw/zinc/40/20/88/912402088.db2.gz DQXREQPBHFJBOJ-UHFFFAOYSA-N 1 1 405.495 4.098 20 5 HIBDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)ccc1I ZINC000466362489 880120263 /nfs/dbraw/zinc/12/02/63/880120263.db2.gz BBMDUVJOAHUXEF-UHFFFAOYSA-N 1 1 416.646 4.451 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3ccc(F)cn3)CC2)s1 ZINC000469062264 883137235 /nfs/dbraw/zinc/13/72/35/883137235.db2.gz VSXWNUXGTMJNAY-UHFFFAOYSA-N 1 1 412.490 4.175 20 5 HIBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@@H]1C ZINC000470155581 884427957 /nfs/dbraw/zinc/42/79/57/884427957.db2.gz ZOGUFBAYVIXXMV-BXUZGUMPSA-N 1 1 423.263 4.001 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000470176132 884459162 /nfs/dbraw/zinc/45/91/62/884459162.db2.gz ILBLIIAEYVVVPR-LGMDPLHJSA-N 1 1 413.905 4.500 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000470176132 884459174 /nfs/dbraw/zinc/45/91/74/884459174.db2.gz ILBLIIAEYVVVPR-LGMDPLHJSA-N 1 1 413.905 4.500 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470665968 885093745 /nfs/dbraw/zinc/09/37/45/885093745.db2.gz GYBVOSAGQRLPEL-YLJYHZDGSA-N 1 1 413.543 4.198 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](OCc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000470911104 885420620 /nfs/dbraw/zinc/42/06/20/885420620.db2.gz PJTUKVBKUINYCH-SFHVURJKSA-N 1 1 415.465 4.052 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036360 885545371 /nfs/dbraw/zinc/54/53/71/885545371.db2.gz ZFUMEDMQNPLGSP-XMSQKQJNSA-N 1 1 424.501 4.102 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036360 885545376 /nfs/dbraw/zinc/54/53/76/885545376.db2.gz ZFUMEDMQNPLGSP-XMSQKQJNSA-N 1 1 424.501 4.102 20 5 HIBDMO Nc1c(F)c(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000471244010 885821360 /nfs/dbraw/zinc/82/13/60/885821360.db2.gz MMBUIYPVQGQEBC-UHFFFAOYSA-N 1 1 412.387 4.047 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000471988156 886815215 /nfs/dbraw/zinc/81/52/15/886815215.db2.gz HIGFNPTUFQAJAJ-SIKLNZKXSA-N 1 1 424.501 4.320 20 5 HIBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473690360 888464392 /nfs/dbraw/zinc/46/43/92/888464392.db2.gz ORZFXKZCRLHUMU-APWZRJJASA-N 1 1 412.490 4.293 20 5 HIBDMO CCNc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000474830552 889688352 /nfs/dbraw/zinc/68/83/52/889688352.db2.gz HZFPFNRNRHMVEH-DEOSSOPVSA-N 1 1 422.529 4.155 20 5 HIBDMO CCNc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000474830553 889688710 /nfs/dbraw/zinc/68/87/10/889688710.db2.gz HZFPFNRNRHMVEH-XMMPIXPASA-N 1 1 422.529 4.155 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000475192553 890061734 /nfs/dbraw/zinc/06/17/34/890061734.db2.gz QXFCXAFQECDEOY-LRDDRELGSA-N 1 1 412.412 4.094 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@@](C)(OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475286233 890185186 /nfs/dbraw/zinc/18/51/86/890185186.db2.gz PISANKRUVGHFOS-JOCHJYFZSA-N 1 1 400.475 4.183 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000475564631 890494103 /nfs/dbraw/zinc/49/41/03/890494103.db2.gz NBIWFSYPHQVXEJ-SIKLNZKXSA-N 1 1 424.501 4.320 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000475579327 890508021 /nfs/dbraw/zinc/50/80/21/890508021.db2.gz ADNMMIRBCVACAT-QGZVFWFLSA-N 1 1 404.850 4.137 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000475579327 890508037 /nfs/dbraw/zinc/50/80/37/890508037.db2.gz ADNMMIRBCVACAT-QGZVFWFLSA-N 1 1 404.850 4.137 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000475643395 890585616 /nfs/dbraw/zinc/58/56/16/890585616.db2.gz WWLQJRPPQCCOLY-MRXNPFEDSA-N 1 1 402.520 4.307 20 5 HIBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[N@H+](C)Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504830677 913550792 /nfs/dbraw/zinc/55/07/92/913550792.db2.gz JKMNHCOZFGSEQX-HDICACEKSA-N 1 1 422.529 4.169 20 5 HIBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[N@@H+](C)Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504830677 913550802 /nfs/dbraw/zinc/55/08/02/913550802.db2.gz JKMNHCOZFGSEQX-HDICACEKSA-N 1 1 422.529 4.169 20 5 HIBDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066012 891999119 /nfs/dbraw/zinc/99/91/19/891999119.db2.gz MTFDOEGCOZCPGW-HOLBHBGLSA-N 1 1 413.499 4.223 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000477298432 892260495 /nfs/dbraw/zinc/26/04/95/892260495.db2.gz UDDGFPZEFNREJN-NRFANRHFSA-N 1 1 413.493 4.038 20 5 HIBDMO COc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc([N+](=O)[O-])c1C ZINC000477670545 892803633 /nfs/dbraw/zinc/80/36/33/892803633.db2.gz SDYCLQCIOYFLOJ-MRXNPFEDSA-N 1 1 403.523 4.029 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000478033331 893162676 /nfs/dbraw/zinc/16/26/76/893162676.db2.gz LOIHHCJUQMXIOL-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000478352117 893597803 /nfs/dbraw/zinc/59/78/03/893597803.db2.gz UNVDQQXOOXOLSA-GOSISDBHSA-N 1 1 412.534 4.053 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000478938883 894220448 /nfs/dbraw/zinc/22/04/48/894220448.db2.gz XBRHLHOERAPVDU-KRWDZBQOSA-N 1 1 407.923 4.393 20 5 HIBDMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000479418396 894728329 /nfs/dbraw/zinc/72/83/29/894728329.db2.gz SZCHYCVFNZWJQN-MRXNPFEDSA-N 1 1 414.483 4.115 20 5 HIBDMO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000480052508 895400751 /nfs/dbraw/zinc/40/07/51/895400751.db2.gz XVDNOTCAXYAWHL-OAQYLSRUSA-N 1 1 414.481 4.231 20 5 HIBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)nc1 ZINC000480774154 896138401 /nfs/dbraw/zinc/13/84/01/896138401.db2.gz UYEGWGIRLQINHR-CYBMUJFWSA-N 1 1 415.906 4.453 20 5 HIBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)nc1 ZINC000480774154 896138416 /nfs/dbraw/zinc/13/84/16/896138416.db2.gz UYEGWGIRLQINHR-CYBMUJFWSA-N 1 1 415.906 4.453 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000481658754 897042874 /nfs/dbraw/zinc/04/28/74/897042874.db2.gz MPGMXWYWKQOKNZ-MRXNPFEDSA-N 1 1 413.543 4.479 20 5 HIBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481861298 897229396 /nfs/dbraw/zinc/22/93/96/897229396.db2.gz DIRFDQRPHPKVCS-LAUBAEHRSA-N 1 1 413.905 4.375 20 5 HIBDMO CCc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481875677 897247854 /nfs/dbraw/zinc/24/78/54/897247854.db2.gz QGJPRVHTKZIRAT-FGZHOGPDSA-N 1 1 407.514 4.284 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482408678 897951730 /nfs/dbraw/zinc/95/17/30/897951730.db2.gz VVWNQRLPZFSCOQ-HSZRJFAPSA-N 1 1 404.470 4.017 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000482532016 898119342 /nfs/dbraw/zinc/11/93/42/898119342.db2.gz KCROXCPQZKDTCN-IRXDYDNUSA-N 1 1 400.498 4.206 20 5 HIBDMO COc1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000505541482 914237339 /nfs/dbraw/zinc/23/73/39/914237339.db2.gz YTZHBLLZFZPCHF-QGZVFWFLSA-N 1 1 422.428 4.386 20 5 HIBDMO COc1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000505541482 914237361 /nfs/dbraw/zinc/23/73/61/914237361.db2.gz YTZHBLLZFZPCHF-QGZVFWFLSA-N 1 1 422.428 4.386 20 5 HIBDMO Cc1nc2ccccc2n1C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000482893635 898511665 /nfs/dbraw/zinc/51/16/65/898511665.db2.gz BMKBMSIYPJVIOA-UHFFFAOYSA-N 1 1 418.457 4.140 20 5 HIBDMO CO[C@@]1(C)CCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037884 898704347 /nfs/dbraw/zinc/70/43/47/898704347.db2.gz FGJJLQKKJDBDPA-GMAHTHKFSA-N 1 1 411.502 4.474 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H](CO)c3c(Cl)cccc3Cl)o2)c1 ZINC000483237204 898881342 /nfs/dbraw/zinc/88/13/42/898881342.db2.gz AXTCLUHAOVYDGG-MRXNPFEDSA-N 1 1 422.268 4.422 20 5 HIBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000505657947 914357453 /nfs/dbraw/zinc/35/74/53/914357453.db2.gz NXQSRXFTRIQQLF-UHFFFAOYSA-N 1 1 420.469 4.156 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CCc3cc(Br)ccc3C2)cccc1[N+](=O)[O-] ZINC000483984745 899627912 /nfs/dbraw/zinc/62/79/12/899627912.db2.gz JWJNPVLWAMUZFG-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCc3cc(Br)ccc3C2)cccc1[N+](=O)[O-] ZINC000483984745 899627918 /nfs/dbraw/zinc/62/79/18/899627918.db2.gz JWJNPVLWAMUZFG-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000484816662 900218418 /nfs/dbraw/zinc/21/84/18/900218418.db2.gz DEGUFGNYTCQELN-NRFANRHFSA-N 1 1 421.522 4.115 20 5 HIBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000484816662 900218430 /nfs/dbraw/zinc/21/84/30/900218430.db2.gz DEGUFGNYTCQELN-NRFANRHFSA-N 1 1 421.522 4.115 20 5 HIBDMO Cc1c(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000484822802 900224637 /nfs/dbraw/zinc/22/46/37/900224637.db2.gz RXDVSSXCWZGPTP-OAQYLSRUSA-N 1 1 421.522 4.494 20 5 HIBDMO Cc1c(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000484822802 900224647 /nfs/dbraw/zinc/22/46/47/900224647.db2.gz RXDVSSXCWZGPTP-OAQYLSRUSA-N 1 1 421.522 4.494 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000484900053 900280275 /nfs/dbraw/zinc/28/02/75/900280275.db2.gz MLHRSLGLRZRZBT-KRWDZBQOSA-N 1 1 401.894 4.280 20 5 HIBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000485043814 900379339 /nfs/dbraw/zinc/37/93/39/900379339.db2.gz RVUOXRDKXGRGAN-CYBMUJFWSA-N 1 1 421.881 4.115 20 5 HIBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000485043814 900379348 /nfs/dbraw/zinc/37/93/48/900379348.db2.gz RVUOXRDKXGRGAN-CYBMUJFWSA-N 1 1 421.881 4.115 20 5 HIBDMO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497916 900786665 /nfs/dbraw/zinc/78/66/65/900786665.db2.gz VUKZJANHOFIVRA-RDJZCZTQSA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497916 900786677 /nfs/dbraw/zinc/78/66/77/900786677.db2.gz VUKZJANHOFIVRA-RDJZCZTQSA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1cccc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485500207 900789928 /nfs/dbraw/zinc/78/99/28/900789928.db2.gz XOJLLQYVCTVLNE-FUHWJXTLSA-N 1 1 413.543 4.347 20 5 HIBDMO CCOC(=O)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000505847889 914496238 /nfs/dbraw/zinc/49/62/38/914496238.db2.gz IMSCDPKYDWPNIK-UHFFFAOYSA-N 1 1 402.422 4.301 20 5 HIBDMO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000485881668 901117632 /nfs/dbraw/zinc/11/76/32/901117632.db2.gz GHPLNCHEGDUZGH-NVXWUHKLSA-N 1 1 417.456 4.100 20 5 HIBDMO COc1cccc(C([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)c2cccc(OC)c2)c1 ZINC000486026427 901233757 /nfs/dbraw/zinc/23/37/57/901233757.db2.gz FBAUXLLYQQTYFO-UHFFFAOYSA-N 1 1 408.454 4.500 20 5 HIBDMO CSc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225366 901408854 /nfs/dbraw/zinc/40/88/54/901408854.db2.gz MNQNYHKSPTZLHO-CXAGYDPISA-N 1 1 405.545 4.191 20 5 HIBDMO CSc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000486478551 901637849 /nfs/dbraw/zinc/63/78/49/901637849.db2.gz LSHQGQKCKHXSPJ-MRXNPFEDSA-N 1 1 413.543 4.479 20 5 HIBDMO CSc1cccc(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000486559764 901705592 /nfs/dbraw/zinc/70/55/92/901705592.db2.gz UIGVEJMFIQKFJM-SFHVURJKSA-N 1 1 401.532 4.203 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487516294 902231498 /nfs/dbraw/zinc/23/14/98/902231498.db2.gz HTXZIRGUGZEBRG-RDTXWAMCSA-N 1 1 402.882 4.280 20 5 HIBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000488940880 903088891 /nfs/dbraw/zinc/08/88/91/903088891.db2.gz JMANJBUILNQCBZ-MRXNPFEDSA-N 1 1 411.527 4.493 20 5 HIBDMO CCCOc1ccc(Br)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489030438 903137164 /nfs/dbraw/zinc/13/71/64/903137164.db2.gz XULBHSCDNYMMHQ-UHFFFAOYSA-N 1 1 423.311 4.180 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489486772 903415557 /nfs/dbraw/zinc/41/55/57/903415557.db2.gz SIGWVAXBTZMKKD-XLIONFOSSA-N 1 1 410.518 4.040 20 5 HIBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]2CCCC[C@H]12 ZINC000490005091 903721654 /nfs/dbraw/zinc/72/16/54/903721654.db2.gz OLRBUACCAGBVCM-UFHDJZAFSA-N 1 1 417.550 4.287 20 5 HIBDMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300197 903887809 /nfs/dbraw/zinc/88/78/09/903887809.db2.gz OSABACJQTWTCNY-KNQAVFIVSA-N 1 1 417.456 4.064 20 5 HIBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300197 903887814 /nfs/dbraw/zinc/88/78/14/903887814.db2.gz OSABACJQTWTCNY-KNQAVFIVSA-N 1 1 417.456 4.064 20 5 HIBDMO COc1cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000490402342 903985475 /nfs/dbraw/zinc/98/54/75/903985475.db2.gz NAZGCJDHYIQDFM-DYVFJYSZSA-N 1 1 402.463 4.107 20 5 HIBDMO COc1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000490402342 903985481 /nfs/dbraw/zinc/98/54/81/903985481.db2.gz NAZGCJDHYIQDFM-DYVFJYSZSA-N 1 1 402.463 4.107 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000491045216 904394069 /nfs/dbraw/zinc/39/40/69/904394069.db2.gz BAOPJOSZDDTPLC-KRWDZBQOSA-N 1 1 401.894 4.232 20 5 HIBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000491973931 904746365 /nfs/dbraw/zinc/74/63/65/904746365.db2.gz AAQVBBDXOXYLJR-CQSZACIVSA-N 1 1 420.872 4.421 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000491973931 904746378 /nfs/dbraw/zinc/74/63/78/904746378.db2.gz AAQVBBDXOXYLJR-CQSZACIVSA-N 1 1 420.872 4.421 20 5 HIBDMO COc1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493240759 905062344 /nfs/dbraw/zinc/06/23/44/905062344.db2.gz XAEYEEUGPQUZMS-UHFFFAOYSA-N 1 1 403.866 4.108 20 5 HIBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506269415 914874021 /nfs/dbraw/zinc/87/40/21/914874021.db2.gz NCXODGVNEMHNCT-CQSZACIVSA-N 1 1 405.401 4.047 20 5 HIBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506269415 914874024 /nfs/dbraw/zinc/87/40/24/914874024.db2.gz NCXODGVNEMHNCT-CQSZACIVSA-N 1 1 405.401 4.047 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCN(CCc2ccccn2)CC1 ZINC000512390012 921125729 /nfs/dbraw/zinc/12/57/29/921125729.db2.gz XBONLQLLCJMZGA-UHFFFAOYSA-N 1 1 420.513 4.389 20 5 HIBDMO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512390012 921125741 /nfs/dbraw/zinc/12/57/41/921125741.db2.gz XBONLQLLCJMZGA-UHFFFAOYSA-N 1 1 420.513 4.389 20 5 HIBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@H]21 ZINC000493928084 905280240 /nfs/dbraw/zinc/28/02/40/905280240.db2.gz QNDZPCQNWGMQTN-OXQOHEQNSA-N 1 1 411.527 4.302 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000512399621 921135444 /nfs/dbraw/zinc/13/54/44/921135444.db2.gz VMBDVCKGNLJNHT-ICSRJNTNSA-N 1 1 410.518 4.037 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494077273 905415383 /nfs/dbraw/zinc/41/53/83/905415383.db2.gz GUHIAOISCHUCFC-OXQOHEQNSA-N 1 1 413.543 4.488 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494105432 905440757 /nfs/dbraw/zinc/44/07/57/905440757.db2.gz KDJALTHIYLGTLA-OALUTQOASA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494105432 905440770 /nfs/dbraw/zinc/44/07/70/905440770.db2.gz KDJALTHIYLGTLA-OALUTQOASA-N 1 1 423.847 4.480 20 5 HIBDMO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000494257716 905582576 /nfs/dbraw/zinc/58/25/76/905582576.db2.gz TZLGRLWEDKCXRH-MSOLQXFVSA-N 1 1 411.502 4.024 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494279586 905602483 /nfs/dbraw/zinc/60/24/83/905602483.db2.gz LXRAHZCNEMXRJY-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000494413575 905701624 /nfs/dbraw/zinc/70/16/24/905701624.db2.gz TVMXYGFGDRZZQL-VHSXEESVSA-N 1 1 402.398 4.138 20 5 HIBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000512455231 921173062 /nfs/dbraw/zinc/17/30/62/921173062.db2.gz BODDZIAQBKEXGZ-MRXNPFEDSA-N 1 1 401.532 4.308 20 5 HIBDMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000496282762 906646692 /nfs/dbraw/zinc/64/66/92/906646692.db2.gz JQSMFIKDGVAOBQ-SFHVURJKSA-N 1 1 420.494 4.343 20 5 HIBDMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000512604152 921257425 /nfs/dbraw/zinc/25/74/25/921257425.db2.gz FOECOJPBZSGHRN-OAHLLOKOSA-N 1 1 416.547 4.091 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000512609920 921259429 /nfs/dbraw/zinc/25/94/29/921259429.db2.gz SRFWBIXJKLKWRN-DLBZAZTESA-N 1 1 416.522 4.198 20 5 HIBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497101898 906805477 /nfs/dbraw/zinc/80/54/77/906805477.db2.gz ZFYDZCPXJPCKOC-PZJWPPBQSA-N 1 1 414.502 4.165 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000497694392 907199934 /nfs/dbraw/zinc/19/99/34/907199934.db2.gz VOWYZRUNYZBZCT-UHFFFAOYSA-N 1 1 403.567 4.479 20 5 HIBDMO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706349 908131235 /nfs/dbraw/zinc/13/12/35/908131235.db2.gz FYDMYFSQXNWOMZ-GHTZIAJQSA-N 1 1 422.529 4.179 20 5 HIBDMO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498713426 908138980 /nfs/dbraw/zinc/13/89/80/908138980.db2.gz IPBWGCWCVATZQC-IEBWSBKVSA-N 1 1 410.518 4.040 20 5 HIBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500099116 909578798 /nfs/dbraw/zinc/57/87/98/909578798.db2.gz RVYOHQMUUVPATJ-HXUWFJFHSA-N 1 1 407.474 4.130 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)c1ccccc1 ZINC000513056693 921513967 /nfs/dbraw/zinc/51/39/67/921513967.db2.gz KIFWFADJDUIWSK-GOSISDBHSA-N 1 1 419.481 4.497 20 5 HIBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000513071791 921525853 /nfs/dbraw/zinc/52/58/53/921525853.db2.gz YZZWKZWLJCQXSY-HNULKUCHSA-N 1 1 417.550 4.287 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000500626645 909975907 /nfs/dbraw/zinc/97/59/07/909975907.db2.gz UBLJZEOVUAWCCP-TZIWHRDSSA-N 1 1 424.545 4.079 20 5 HIBDMO C[NH+](C)Cc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Cl ZINC000500793534 910083634 /nfs/dbraw/zinc/08/36/34/910083634.db2.gz IHUTUZQSOLKMDZ-UHFFFAOYSA-N 1 1 416.909 4.165 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000500844243 910118623 /nfs/dbraw/zinc/11/86/23/910118623.db2.gz SBCOHAUSMZAMCS-MAUKXSAKSA-N 1 1 422.510 4.284 20 5 HIBDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000501716024 910784013 /nfs/dbraw/zinc/78/40/13/910784013.db2.gz MBCKCTRFIHQDNI-GOSISDBHSA-N 1 1 411.506 4.135 20 5 HIBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000501848680 910882374 /nfs/dbraw/zinc/88/23/74/910882374.db2.gz JRDCETTZAVLHAI-LJQANCHMSA-N 1 1 408.454 4.259 20 5 HIBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000501848680 910882377 /nfs/dbraw/zinc/88/23/77/910882377.db2.gz JRDCETTZAVLHAI-LJQANCHMSA-N 1 1 408.454 4.259 20 5 HIBDMO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506433483 915036245 /nfs/dbraw/zinc/03/62/45/915036245.db2.gz NMONJUQSHYSMSE-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506433483 915036266 /nfs/dbraw/zinc/03/62/66/915036266.db2.gz NMONJUQSHYSMSE-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474783 915075568 /nfs/dbraw/zinc/07/55/68/915075568.db2.gz POWCYSJCGABJFL-RTBURBONSA-N 1 1 412.534 4.379 20 5 HIBDMO CCOC[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000506487579 915094498 /nfs/dbraw/zinc/09/44/98/915094498.db2.gz PCRFZULGSQOASF-XMSQKQJNSA-N 1 1 411.502 4.332 20 5 HIBDMO CCOC[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000506487579 915094519 /nfs/dbraw/zinc/09/45/19/915094519.db2.gz PCRFZULGSQOASF-XMSQKQJNSA-N 1 1 411.502 4.332 20 5 HIBDMO CCC[N@@H+](C)Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(OCC)c1 ZINC000506497189 915110173 /nfs/dbraw/zinc/11/01/73/915110173.db2.gz VMTWFCCEGUNOLZ-UHFFFAOYSA-N 1 1 416.474 4.281 20 5 HIBDMO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506499188 915116005 /nfs/dbraw/zinc/11/60/05/915116005.db2.gz JUTBHOJHENRCAR-UHFFFAOYSA-N 1 1 411.502 4.469 20 5 HIBDMO CCN1CCC([N@H+](C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000506647547 915317611 /nfs/dbraw/zinc/31/76/11/915317611.db2.gz WOTITDQQSRXQFN-UHFFFAOYSA-N 1 1 413.518 4.099 20 5 HIBDMO CCN1CCC([N@@H+](C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000506647547 915317640 /nfs/dbraw/zinc/31/76/40/915317640.db2.gz WOTITDQQSRXQFN-UHFFFAOYSA-N 1 1 413.518 4.099 20 5 HIBDMO O=[N+]([O-])c1c(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nc2sccn21 ZINC000506732556 915418207 /nfs/dbraw/zinc/41/82/07/915418207.db2.gz PPPDGUDSQTYERY-UHFFFAOYSA-N 1 1 424.486 4.036 20 5 HIBDMO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513411181 921780285 /nfs/dbraw/zinc/78/02/85/921780285.db2.gz KRIQYPNAEMQRNS-CRAIPNDOSA-N 1 1 424.457 4.258 20 5 HIBDMO COc1ccccc1O[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513411181 921780301 /nfs/dbraw/zinc/78/03/01/921780301.db2.gz KRIQYPNAEMQRNS-CRAIPNDOSA-N 1 1 424.457 4.258 20 5 HIBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc3ccc(Br)cn23)C2CC2)c1 ZINC000507172784 915917422 /nfs/dbraw/zinc/91/74/22/915917422.db2.gz IFVPWOPPRLBWQU-UHFFFAOYSA-N 1 1 401.264 4.170 20 5 HIBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc3ccc(Br)cn23)C2CC2)c1 ZINC000507172784 915917430 /nfs/dbraw/zinc/91/74/30/915917430.db2.gz IFVPWOPPRLBWQU-UHFFFAOYSA-N 1 1 401.264 4.170 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000507308388 916070298 /nfs/dbraw/zinc/07/02/98/916070298.db2.gz YVEBNQODZUDORA-UHFFFAOYSA-N 1 1 407.470 4.260 20 5 HIBDMO CCCCOc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000507947687 916810614 /nfs/dbraw/zinc/81/06/14/916810614.db2.gz FMPWLDCTGWHRGN-HNNXBMFYSA-N 1 1 416.474 4.500 20 5 HIBDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000508459599 917243735 /nfs/dbraw/zinc/24/37/35/917243735.db2.gz VFEIOXKJWPGXKD-UHFFFAOYSA-N 1 1 401.466 4.430 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000508658047 917423217 /nfs/dbraw/zinc/42/32/17/917423217.db2.gz QQAHGVBIIWGBJO-UHFFFAOYSA-N 1 1 409.408 4.252 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](Cc4nccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000508681781 917445711 /nfs/dbraw/zinc/44/57/11/917445711.db2.gz VZZLMASPPLRRNN-INIZCTEOSA-N 1 1 410.474 4.052 20 5 HIBDMO COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3cccc([N+](=O)[O-])c3C)CC2)c1C ZINC000509072698 917818477 /nfs/dbraw/zinc/81/84/77/917818477.db2.gz ZPKGFHYCZVIMIP-UHFFFAOYSA-N 1 1 412.534 4.020 20 5 HIBDMO CCCOc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000509584495 918233152 /nfs/dbraw/zinc/23/31/52/918233152.db2.gz GPFQMKSYNUIKIT-CQSZACIVSA-N 1 1 402.447 4.110 20 5 HIBDMO COc1cc(CNCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509615205 918265207 /nfs/dbraw/zinc/26/52/07/918265207.db2.gz DBLZNWCKVZRCRB-GOSISDBHSA-N 1 1 413.518 4.146 20 5 HIBDMO COc1cc(C[NH2+]CCN2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509615205 918265221 /nfs/dbraw/zinc/26/52/21/918265221.db2.gz DBLZNWCKVZRCRB-GOSISDBHSA-N 1 1 413.518 4.146 20 5 HIBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OCC ZINC000509622066 918269893 /nfs/dbraw/zinc/26/98/93/918269893.db2.gz VVYKRFPVCLSXOH-AWEZNQCLSA-N 1 1 402.447 4.110 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000509640822 918282762 /nfs/dbraw/zinc/28/27/62/918282762.db2.gz NYFKUNACSYWTAA-JOCHJYFZSA-N 1 1 424.545 4.079 20 5 HIBDMO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000510456448 918911689 /nfs/dbraw/zinc/91/16/89/918911689.db2.gz DYDZVCSPHUJCGK-UHFFFAOYSA-N 1 1 411.483 4.264 20 5 HIBDMO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000510456448 918911717 /nfs/dbraw/zinc/91/17/17/918911717.db2.gz DYDZVCSPHUJCGK-UHFFFAOYSA-N 1 1 411.483 4.264 20 5 HIBDMO CCOc1cc(C[N@H+]2CCCC(C)(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000510493726 918942563 /nfs/dbraw/zinc/94/25/63/918942563.db2.gz WXZBIXQEGKULNF-UHFFFAOYSA-N 1 1 416.522 4.199 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000510647908 919087936 /nfs/dbraw/zinc/08/79/36/919087936.db2.gz UMTGORYFVRTBLH-VXKWHMMOSA-N 1 1 404.470 4.201 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000510647908 919087949 /nfs/dbraw/zinc/08/79/49/919087949.db2.gz UMTGORYFVRTBLH-VXKWHMMOSA-N 1 1 404.470 4.201 20 5 HIBDMO C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510800370 919271287 /nfs/dbraw/zinc/27/12/87/919271287.db2.gz QEAYRMDUZUYWRU-HOCLYGCPSA-N 1 1 414.531 4.101 20 5 HIBDMO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000510927844 919447928 /nfs/dbraw/zinc/44/79/28/919447928.db2.gz ILQHWECZKNGYRR-UONOGXRCSA-N 1 1 424.339 4.049 20 5 HIBDMO COc1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Br ZINC000511067011 919667470 /nfs/dbraw/zinc/66/74/70/919667470.db2.gz TWSRQSQNKPTLMS-SNVBAGLBSA-N 1 1 405.252 4.093 20 5 HIBDMO COC(=O)c1cccc(-c2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)c1 ZINC000511088708 919690937 /nfs/dbraw/zinc/69/09/37/919690937.db2.gz HKHLGCAGJKIAMA-UHFFFAOYSA-N 1 1 411.483 4.179 20 5 HIBDMO COC(=O)c1cccc(-c2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)c1 ZINC000511088708 919690944 /nfs/dbraw/zinc/69/09/44/919690944.db2.gz HKHLGCAGJKIAMA-UHFFFAOYSA-N 1 1 411.483 4.179 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000511106659 919715156 /nfs/dbraw/zinc/71/51/56/919715156.db2.gz MJVICINGJMBQNW-RUZDIDTESA-N 1 1 401.315 4.184 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000511106659 919715173 /nfs/dbraw/zinc/71/51/73/919715173.db2.gz MJVICINGJMBQNW-RUZDIDTESA-N 1 1 401.315 4.184 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511270689 919869559 /nfs/dbraw/zinc/86/95/59/919869559.db2.gz SFECTRZDFWVGNF-JKSUJKDBSA-N 1 1 405.564 4.478 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)co2)cc1 ZINC000511781441 920473129 /nfs/dbraw/zinc/47/31/29/920473129.db2.gz NTKJFRUTKVJWSH-YPAWHYETSA-N 1 1 405.454 4.254 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511880493 920613388 /nfs/dbraw/zinc/61/33/88/920613388.db2.gz VRGADFSOMUDEGX-SBHAEUEKSA-N 1 1 409.486 4.200 20 5 HIBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000512193123 920937266 /nfs/dbraw/zinc/93/72/66/920937266.db2.gz FLYJBKNHBFWKMU-QFIPXVFZSA-N 1 1 424.545 4.079 20 5 HIBDMO CC(C)[N@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513483911 921838297 /nfs/dbraw/zinc/83/82/97/921838297.db2.gz GUEMVBLCAHSVQP-GOSISDBHSA-N 1 1 423.307 4.008 20 5 HIBDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1 ZINC000514763668 922792472 /nfs/dbraw/zinc/79/24/72/922792472.db2.gz NUFKZGWTQYWWGC-KRWDZBQOSA-N 1 1 408.458 4.108 20 5 HIBDMO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000515113532 922926057 /nfs/dbraw/zinc/92/60/57/922926057.db2.gz KSFLAWIJMGFDIW-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000515113532 922926066 /nfs/dbraw/zinc/92/60/66/922926066.db2.gz KSFLAWIJMGFDIW-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO CC1CCN(c2ccc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000518759661 927479638 /nfs/dbraw/zinc/47/96/38/927479638.db2.gz VBCOZZSNUBGVOT-LJQANCHMSA-N 1 1 416.566 4.216 20 5 HIBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C1CC1 ZINC000520034361 928257311 /nfs/dbraw/zinc/25/73/11/928257311.db2.gz PBVSAOJDCOOMHZ-UHFFFAOYSA-N 1 1 405.907 4.223 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000520321898 928485632 /nfs/dbraw/zinc/48/56/32/928485632.db2.gz OQHLNEQOKNMCRY-UHFFFAOYSA-N 1 1 419.485 4.326 20 5 HIBDMO CC(C)(C)OCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000521200284 929057784 /nfs/dbraw/zinc/05/77/84/929057784.db2.gz OFYJEOLJPLVKKC-GOSISDBHSA-N 1 1 405.882 4.333 20 5 HIBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000521319640 929131520 /nfs/dbraw/zinc/13/15/20/929131520.db2.gz FNANYGAPYZSVMS-CQSZACIVSA-N 1 1 412.252 4.136 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521587854 929313226 /nfs/dbraw/zinc/31/32/26/929313226.db2.gz JMPYAABJRLJLRQ-FQEVSTJZSA-N 1 1 413.493 4.383 20 5 HIBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)C[C@@H](C)O1 ZINC000524603381 929713266 /nfs/dbraw/zinc/71/32/66/929713266.db2.gz JTFKOWUBFFPHMB-IAGOWNOFSA-N 1 1 411.502 4.120 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000524685546 929796877 /nfs/dbraw/zinc/79/68/77/929796877.db2.gz KFSDWXSWHFYDBT-UHFFFAOYSA-N 1 1 405.458 4.017 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C1 ZINC000525799360 930448786 /nfs/dbraw/zinc/44/87/86/930448786.db2.gz QWKXWFCYSSRJAE-OAHLLOKOSA-N 1 1 408.458 4.049 20 5 HIBDMO COc1cc(C[N@@H+](C)CCc2ccccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527358125 930644902 /nfs/dbraw/zinc/64/49/02/930644902.db2.gz NPMWMCULURFLSZ-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO COc1cc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000530992676 930878524 /nfs/dbraw/zinc/87/85/24/930878524.db2.gz SOTNPTIKWJBETL-KRWDZBQOSA-N 1 1 422.428 4.038 20 5 HIBDMO COc1cc(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531153261 930947136 /nfs/dbraw/zinc/94/71/36/930947136.db2.gz UDSXZPOVQOAEAZ-TZIWHRDSSA-N 1 1 413.518 4.145 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000532215117 931356205 /nfs/dbraw/zinc/35/62/05/931356205.db2.gz WDYXRAFMHSRSJL-IAGOWNOFSA-N 1 1 400.498 4.206 20 5 HIBDMO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000532215069 931356337 /nfs/dbraw/zinc/35/63/37/931356337.db2.gz KLHOSWSQMOIRMJ-MSOLQXFVSA-N 1 1 416.591 4.248 20 5 HIBDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccccc1OC ZINC000532490858 931459218 /nfs/dbraw/zinc/45/92/18/931459218.db2.gz MMAUXBOMRCJITP-HNNXBMFYSA-N 1 1 401.463 4.024 20 5 HIBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccccc1OC ZINC000532490858 931459220 /nfs/dbraw/zinc/45/92/20/931459220.db2.gz MMAUXBOMRCJITP-HNNXBMFYSA-N 1 1 401.463 4.024 20 5 HIBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625852 931558739 /nfs/dbraw/zinc/55/87/39/931558739.db2.gz PZRLDQDSVDNQCO-BEFAXECRSA-N 1 1 422.510 4.189 20 5 HIBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625852 931558749 /nfs/dbraw/zinc/55/87/49/931558749.db2.gz PZRLDQDSVDNQCO-BEFAXECRSA-N 1 1 422.510 4.189 20 5 HIBDMO C[N@@H+](CCOc1ccc(Cl)cc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532910126 931689071 /nfs/dbraw/zinc/68/90/71/931689071.db2.gz HUMQAGIOLFBODD-UHFFFAOYSA-N 1 1 401.850 4.457 20 5 HIBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532980282 931725081 /nfs/dbraw/zinc/72/50/81/931725081.db2.gz LZXXLSOCGRMHPD-AWEZNQCLSA-N 1 1 403.866 4.109 20 5 HIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cnn(-c2ccccc2)c1 ZINC000533223435 931814202 /nfs/dbraw/zinc/81/42/02/931814202.db2.gz HEYLXUXHZZDEKU-UHFFFAOYSA-N 1 1 403.442 4.110 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)Cc1ccc(OC)cc1 ZINC000533281544 931826708 /nfs/dbraw/zinc/82/67/08/931826708.db2.gz RPQXXEGWXCDIQH-CQSZACIVSA-N 1 1 405.882 4.148 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000533433763 931867142 /nfs/dbraw/zinc/86/71/42/931867142.db2.gz ZTPSISJSIOGGTN-UHFFFAOYSA-N 1 1 413.318 4.049 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000534063588 932241879 /nfs/dbraw/zinc/24/18/79/932241879.db2.gz YXIJCFFSZUEFKF-DLBZAZTESA-N 1 1 409.273 4.469 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000534063588 932241883 /nfs/dbraw/zinc/24/18/83/932241883.db2.gz YXIJCFFSZUEFKF-DLBZAZTESA-N 1 1 409.273 4.469 20 5 HIBDMO C[C@H](NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000534257218 932368420 /nfs/dbraw/zinc/36/84/20/932368420.db2.gz PLIZUFBPDLGNSR-IBGZPJMESA-N 1 1 422.529 4.354 20 5 HIBDMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534869015 932814905 /nfs/dbraw/zinc/81/49/05/932814905.db2.gz PLRUNCHLFNSVNO-INIZCTEOSA-N 1 1 412.515 4.190 20 5 HIBDMO Cc1c(CC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962368 932862279 /nfs/dbraw/zinc/86/22/79/932862279.db2.gz CTYJOCOAZCGKKT-IERDGZPVSA-N 1 1 419.884 4.047 20 5 HIBDMO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000535555976 933240514 /nfs/dbraw/zinc/24/05/14/933240514.db2.gz MUPOUXUJVKOMBH-JOCHJYFZSA-N 1 1 406.486 4.346 20 5 HIBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682022 933334742 /nfs/dbraw/zinc/33/47/42/933334742.db2.gz UPUVLKLUDCSWSP-AUUYWEPGSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535682578 933335718 /nfs/dbraw/zinc/33/57/18/933335718.db2.gz VTQKRQKLIKRKCQ-AUUYWEPGSA-N 1 1 405.857 4.119 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000535694230 933349342 /nfs/dbraw/zinc/34/93/42/933349342.db2.gz REAVGMRJAUMMAS-FUHWJXTLSA-N 1 1 406.486 4.201 20 5 HIBDMO Cn1cc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535807446 933402889 /nfs/dbraw/zinc/40/28/89/933402889.db2.gz KZPXBPSRWDRWDE-UHFFFAOYSA-N 1 1 414.893 4.033 20 5 HIBDMO CC(C)Oc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000535971090 933534037 /nfs/dbraw/zinc/53/40/37/933534037.db2.gz ZXLKGPVODIERAH-AWEZNQCLSA-N 1 1 405.882 4.494 20 5 HIBDMO CC(C)Oc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000535971090 933534041 /nfs/dbraw/zinc/53/40/41/933534041.db2.gz ZXLKGPVODIERAH-AWEZNQCLSA-N 1 1 405.882 4.494 20 5 HIBDMO CCn1cc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000537625958 938338357 /nfs/dbraw/zinc/33/83/57/938338357.db2.gz YGVQDMZNWOWJMH-UHFFFAOYSA-N 1 1 416.485 4.296 20 5 HIBDMO CCn1cc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000537625958 938338363 /nfs/dbraw/zinc/33/83/63/938338363.db2.gz YGVQDMZNWOWJMH-UHFFFAOYSA-N 1 1 416.485 4.296 20 5 HIBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000537629711 938340354 /nfs/dbraw/zinc/34/03/54/938340354.db2.gz XXJKUISSYFNMSZ-HNNXBMFYSA-N 1 1 416.547 4.093 20 5 HIBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000537629711 938340358 /nfs/dbraw/zinc/34/03/58/938340358.db2.gz XXJKUISSYFNMSZ-HNNXBMFYSA-N 1 1 416.547 4.093 20 5 HIBDMO Cc1ccc(Sc2ccc(C[NH+]3CCC(OCCO)CC3)cc2[N+](=O)[O-])cc1 ZINC000537660486 938348866 /nfs/dbraw/zinc/34/88/66/938348866.db2.gz FQFDGWJLUCTQPO-UHFFFAOYSA-N 1 1 402.516 4.028 20 5 HIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000537689052 938355347 /nfs/dbraw/zinc/35/53/47/938355347.db2.gz YRTXISKCRATGEC-PGRDOPGGSA-N 1 1 406.486 4.040 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000537943439 938426839 /nfs/dbraw/zinc/42/68/39/938426839.db2.gz NWMFVWCPCLEZSE-RVHYNSKXSA-N 1 1 403.910 4.279 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538070751 938494182 /nfs/dbraw/zinc/49/41/82/938494182.db2.gz RKHYOHPAOZEFOW-GOSISDBHSA-N 1 1 404.555 4.445 20 5 HIBDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(C)C)ccc2NC1=O ZINC000538259024 938576647 /nfs/dbraw/zinc/57/66/47/938576647.db2.gz UPFXSGJTZCDMSJ-KUHUBIRLSA-N 1 1 413.474 4.342 20 5 HIBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538388667 938609123 /nfs/dbraw/zinc/60/91/23/938609123.db2.gz SMTBWAPWCQWTLR-UHFFFAOYSA-N 1 1 418.497 4.297 20 5 HIBDMO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716848 938688878 /nfs/dbraw/zinc/68/88/78/938688878.db2.gz GENYNJFXKYEMJO-LAUBAEHRSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716848 938688881 /nfs/dbraw/zinc/68/88/81/938688881.db2.gz GENYNJFXKYEMJO-LAUBAEHRSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716848 938688884 /nfs/dbraw/zinc/68/88/84/938688884.db2.gz GENYNJFXKYEMJO-LAUBAEHRSA-N 1 1 413.518 4.097 20 5 HIBDMO COC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538731127 938695028 /nfs/dbraw/zinc/69/50/28/938695028.db2.gz CTALIXAGLJQMMU-GOSISDBHSA-N 1 1 400.475 4.041 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000538736875 938697261 /nfs/dbraw/zinc/69/72/61/938697261.db2.gz LCBRRFCVJKJNMQ-PKOBYXMFSA-N 1 1 408.545 4.111 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000538736875 938697264 /nfs/dbraw/zinc/69/72/64/938697264.db2.gz LCBRRFCVJKJNMQ-PKOBYXMFSA-N 1 1 408.545 4.111 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538749963 938700698 /nfs/dbraw/zinc/70/06/98/938700698.db2.gz QGCXUJIKMRTSTO-VQTJNVASSA-N 1 1 412.486 4.041 20 5 HIBDMO COc1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538750462 938701204 /nfs/dbraw/zinc/70/12/04/938701204.db2.gz CPDMCVHPNSEJQM-SUMWQHHRSA-N 1 1 420.453 4.405 20 5 HIBDMO COc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538750462 938701206 /nfs/dbraw/zinc/70/12/06/938701206.db2.gz CPDMCVHPNSEJQM-SUMWQHHRSA-N 1 1 420.453 4.405 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000538788100 938711646 /nfs/dbraw/zinc/71/16/46/938711646.db2.gz KFOSZFTUPWTTNM-KBPBESRZSA-N 1 1 401.438 4.079 20 5 HIBDMO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000538952649 938747496 /nfs/dbraw/zinc/74/74/96/938747496.db2.gz ABDHFEJYHINTQF-INIZCTEOSA-N 1 1 421.501 4.171 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539278170 938832086 /nfs/dbraw/zinc/83/20/86/938832086.db2.gz GAVVQVHCHPXZDR-INIZCTEOSA-N 1 1 411.380 4.215 20 5 HIBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540320614 939193200 /nfs/dbraw/zinc/19/32/00/939193200.db2.gz GFQWWVKQZCQLEY-MRXNPFEDSA-N 1 1 410.474 4.047 20 5 HIBDMO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540320614 939193201 /nfs/dbraw/zinc/19/32/01/939193201.db2.gz GFQWWVKQZCQLEY-MRXNPFEDSA-N 1 1 410.474 4.047 20 5 HIBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540320614 939193205 /nfs/dbraw/zinc/19/32/05/939193205.db2.gz GFQWWVKQZCQLEY-MRXNPFEDSA-N 1 1 410.474 4.047 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000540618796 939321572 /nfs/dbraw/zinc/32/15/72/939321572.db2.gz AZLDPCCUAFBYEO-LJQANCHMSA-N 1 1 417.550 4.175 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1OC ZINC000541056290 939444494 /nfs/dbraw/zinc/44/44/94/939444494.db2.gz HMMITGYICDSYBO-KSZLIROESA-N 1 1 406.523 4.277 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000541059761 939445849 /nfs/dbraw/zinc/44/58/49/939445849.db2.gz PMGITGJGGSLLJW-JENIJYKNSA-N 1 1 407.555 4.190 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541702953 939609237 /nfs/dbraw/zinc/60/92/37/939609237.db2.gz AVFHHORHIWQVCF-GHTZIAJQSA-N 1 1 415.465 4.223 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000541786335 939630049 /nfs/dbraw/zinc/63/00/49/939630049.db2.gz LWCSOPCJPHHUGO-DOTOQJQBSA-N 1 1 400.454 4.251 20 5 HIBDMO COc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000542037109 939694813 /nfs/dbraw/zinc/69/48/13/939694813.db2.gz WDUDFOWRWNBMAU-QHCPKHFHSA-N 1 1 424.501 4.123 20 5 HIBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000542198543 939753494 /nfs/dbraw/zinc/75/34/94/939753494.db2.gz ZAWUIOZWQWVIHJ-MRXNPFEDSA-N 1 1 423.922 4.277 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]CCC(=O)NCc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475745 939829377 /nfs/dbraw/zinc/82/93/77/939829377.db2.gz GVNBOYQZSWJVKX-QHCPKHFHSA-N 1 1 407.470 4.136 20 5 HIBDMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000542623139 939849765 /nfs/dbraw/zinc/84/97/65/939849765.db2.gz PRDPIOAELNMACL-HNNXBMFYSA-N 1 1 423.473 4.195 20 5 HIBDMO Cc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000542679071 939853540 /nfs/dbraw/zinc/85/35/40/939853540.db2.gz OWABCTFZPUAQHJ-QFIPXVFZSA-N 1 1 410.495 4.056 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOCC4(CCOCC4)C3)o2)c(Cl)c1 ZINC000543392904 940049689 /nfs/dbraw/zinc/04/96/89/940049689.db2.gz HZCZKGQBNLPGDE-UHFFFAOYSA-N 1 1 406.866 4.137 20 5 HIBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543558710 940108881 /nfs/dbraw/zinc/10/88/81/940108881.db2.gz HWZFCOLGJFNNAD-MOPGFXCFSA-N 1 1 412.421 4.136 20 5 HIBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2o1 ZINC000543595772 940124711 /nfs/dbraw/zinc/12/47/11/940124711.db2.gz POQCZKOYMVKEPC-LBPRGKRZSA-N 1 1 408.863 4.119 20 5 HIBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)c21 ZINC000544394698 940410978 /nfs/dbraw/zinc/41/09/78/940410978.db2.gz QJENPHSUUDPXLQ-HSZRJFAPSA-N 1 1 403.486 4.031 20 5 HIBDMO C[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544557949 940478189 /nfs/dbraw/zinc/47/81/89/940478189.db2.gz KOCGBHLADBPDHA-IRXDYDNUSA-N 1 1 405.514 4.341 20 5 HIBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000544590390 940485740 /nfs/dbraw/zinc/48/57/40/940485740.db2.gz LQPQRYIDVUDUBI-KRWDZBQOSA-N 1 1 400.498 4.035 20 5 HIBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000544621766 940492453 /nfs/dbraw/zinc/49/24/53/940492453.db2.gz KCHITRZOPUIORJ-QAPCUYQASA-N 1 1 400.454 4.423 20 5 HIBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000544621767 940492607 /nfs/dbraw/zinc/49/26/07/940492607.db2.gz KCHITRZOPUIORJ-YJBOKZPZSA-N 1 1 400.454 4.423 20 5 HIBDMO CC[C@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000544760545 940511558 /nfs/dbraw/zinc/51/15/58/940511558.db2.gz AHGXZAVHFDYQHC-XLIONFOSSA-N 1 1 421.501 4.302 20 5 HIBDMO CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544848567 940518890 /nfs/dbraw/zinc/51/88/90/940518890.db2.gz DCNHGHZSOUMMRY-SFHVURJKSA-N 1 1 421.419 4.350 20 5 HIBDMO CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545518740 940572880 /nfs/dbraw/zinc/57/28/80/940572880.db2.gz UUHIYDUJGZWHGQ-JOCHJYFZSA-N 1 1 406.486 4.346 20 5 HIBDMO O=[N+]([O-])c1cccc(Oc2ccc(-c3noc([C@H]4CCn5c[nH+]cc5C4)n3)cc2)c1 ZINC000547197063 941028501 /nfs/dbraw/zinc/02/85/01/941028501.db2.gz ZWNFNSVBDPFAPK-HNNXBMFYSA-N 1 1 403.398 4.364 20 5 HIBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000549868215 941221271 /nfs/dbraw/zinc/22/12/71/941221271.db2.gz DXUPNWRVMKVYTM-UHFFFAOYSA-N 1 1 422.451 4.148 20 5 HIBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000549868215 941221279 /nfs/dbraw/zinc/22/12/79/941221279.db2.gz DXUPNWRVMKVYTM-UHFFFAOYSA-N 1 1 422.451 4.148 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549942194 941243728 /nfs/dbraw/zinc/24/37/28/941243728.db2.gz RAWVJFVSSBICFB-DZGCQCFKSA-N 1 1 407.392 4.179 20 5 HIBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000551039946 941399465 /nfs/dbraw/zinc/39/94/65/941399465.db2.gz QIRVPZYWGODMCQ-ZMSDIMECSA-N 1 1 414.449 4.110 20 5 HIBDMO Cc1ccc([C@@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263049 941438938 /nfs/dbraw/zinc/43/89/38/941438938.db2.gz LDEUYFHGFZAXMW-OFNKIYASSA-N 1 1 423.557 4.483 20 5 HIBDMO Cc1ccc([C@@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263049 941438940 /nfs/dbraw/zinc/43/89/40/941438940.db2.gz LDEUYFHGFZAXMW-OFNKIYASSA-N 1 1 423.557 4.483 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000551822265 941553538 /nfs/dbraw/zinc/55/35/38/941553538.db2.gz BBJPDPCRBWKZJM-NLMIPJBGSA-N 1 1 422.529 4.276 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)s1 ZINC000552002948 941565888 /nfs/dbraw/zinc/56/58/88/941565888.db2.gz HWMLIQSOAVCPNB-HNNXBMFYSA-N 1 1 412.515 4.040 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000552043415 941572575 /nfs/dbraw/zinc/57/25/75/941572575.db2.gz LWDLVOFMCMGGQP-SFHVURJKSA-N 1 1 415.291 4.013 20 5 HIBDMO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000552058453 941576429 /nfs/dbraw/zinc/57/64/29/941576429.db2.gz JZNVZCKPKXVDGL-PWIZWCRZSA-N 1 1 408.458 4.086 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCO[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552062045 941576912 /nfs/dbraw/zinc/57/69/12/941576912.db2.gz JIQBVMRYJHYIMM-DHIUTWEWSA-N 1 1 420.513 4.492 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCO[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552062046 941576976 /nfs/dbraw/zinc/57/69/76/941576976.db2.gz JIQBVMRYJHYIMM-GOTSBHOMSA-N 1 1 420.513 4.492 20 5 HIBDMO Cn1ccnc1[C@@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068044 941578624 /nfs/dbraw/zinc/57/86/24/941578624.db2.gz GLHCUOGRIVDVRT-UPVQGACJSA-N 1 1 419.529 4.062 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCCc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552282767 941622144 /nfs/dbraw/zinc/62/21/44/941622144.db2.gz NAFUUIXPYGQCTH-HXUWFJFHSA-N 1 1 400.429 4.308 20 5 HIBDMO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000552485784 941685516 /nfs/dbraw/zinc/68/55/16/941685516.db2.gz LZEQLUITWYQLAN-UHFFFAOYSA-N 1 1 405.882 4.245 20 5 HIBDMO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000552485784 941685521 /nfs/dbraw/zinc/68/55/21/941685521.db2.gz LZEQLUITWYQLAN-UHFFFAOYSA-N 1 1 405.882 4.245 20 5 HIBDMO CCOc1ccc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc1[N+](=O)[O-] ZINC000552921358 941803407 /nfs/dbraw/zinc/80/34/07/941803407.db2.gz MAOBMSFUGZTZCZ-UHFFFAOYSA-N 1 1 418.453 4.204 20 5 HIBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000553258380 941857356 /nfs/dbraw/zinc/85/73/56/941857356.db2.gz OILJKCXVXZMHJM-UHFFFAOYSA-N 1 1 408.845 4.458 20 5 HIBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000554070267 942029038 /nfs/dbraw/zinc/02/90/38/942029038.db2.gz ODPVXLNLUJEVFO-ZWKOTPCHSA-N 1 1 409.408 4.043 20 5 HIBDMO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554181154 942059561 /nfs/dbraw/zinc/05/95/61/942059561.db2.gz QQKWVEFHKKRZKB-LJQANCHMSA-N 1 1 403.866 4.205 20 5 HIBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554181154 942059566 /nfs/dbraw/zinc/05/95/66/942059566.db2.gz QQKWVEFHKKRZKB-LJQANCHMSA-N 1 1 403.866 4.205 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000554836974 942275159 /nfs/dbraw/zinc/27/51/59/942275159.db2.gz DWLWNCAXZADKII-REPLKXPHSA-N 1 1 409.486 4.343 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)c1 ZINC000555010516 942355435 /nfs/dbraw/zinc/35/54/35/942355435.db2.gz GWAICVQRTNNFGL-UHFFFAOYSA-N 1 1 405.539 4.214 20 5 HIBDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000555106245 942386783 /nfs/dbraw/zinc/38/67/83/942386783.db2.gz QGNAEWPCRWAKCQ-AWEZNQCLSA-N 1 1 402.838 4.160 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000555106245 942386786 /nfs/dbraw/zinc/38/67/86/942386786.db2.gz QGNAEWPCRWAKCQ-AWEZNQCLSA-N 1 1 402.838 4.160 20 5 HIBDMO Cc1cc(Cl)ccc1OCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556870978 942945580 /nfs/dbraw/zinc/94/55/80/942945580.db2.gz PZUXNENJPLIIFX-FQEVSTJZSA-N 1 1 414.893 4.438 20 5 HIBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000556872505 942945896 /nfs/dbraw/zinc/94/58/96/942945896.db2.gz PAVXNPVJGVIXMF-AUUYWEPGSA-N 1 1 400.866 4.128 20 5 HIBDMO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556886595 942950930 /nfs/dbraw/zinc/95/09/30/942950930.db2.gz WZZPAERILZCAHZ-KNQAVFIVSA-N 1 1 423.492 4.124 20 5 HIBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000557687515 943259535 /nfs/dbraw/zinc/25/95/35/943259535.db2.gz WNRZFVXBSKMIAR-CYBMUJFWSA-N 1 1 405.808 4.019 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000558417910 943554787 /nfs/dbraw/zinc/55/47/87/943554787.db2.gz KQGDXVDHDNPMCJ-QHCPKHFHSA-N 1 1 414.502 4.309 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000558497553 943576395 /nfs/dbraw/zinc/57/63/95/943576395.db2.gz OVMVGDMANWXEDU-VQTJNVASSA-N 1 1 408.502 4.197 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000559094004 943835781 /nfs/dbraw/zinc/83/57/81/943835781.db2.gz AORHMKCESKJLBF-ZDUSSCGKSA-N 1 1 405.380 4.036 20 5 HIBDMO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000560537576 944246874 /nfs/dbraw/zinc/24/68/74/944246874.db2.gz BPGXTZMODPQLFU-YZGWKJHDSA-N 1 1 408.458 4.086 20 5 HIBDMO CCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000560553885 944252127 /nfs/dbraw/zinc/25/21/27/944252127.db2.gz NQBLRODCKCWFTN-FSPWUOQZSA-N 1 1 414.449 4.230 20 5 HIBDMO CCc1nc2ccccc2n1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000560856344 944359148 /nfs/dbraw/zinc/35/91/48/944359148.db2.gz YYLWYKOFXFGFJY-UHFFFAOYSA-N 1 1 405.458 4.485 20 5 HIBDMO CCOc1cc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000562337756 945062344 /nfs/dbraw/zinc/06/23/44/945062344.db2.gz IAWUONGPYQYAII-UHFFFAOYSA-N 1 1 409.486 4.050 20 5 HIBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1c1ccccc1Cl ZINC000564336842 945518037 /nfs/dbraw/zinc/51/80/37/945518037.db2.gz BSKVPYDWEGOPLJ-QGZVFWFLSA-N 1 1 411.845 4.403 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)co2)cc1 ZINC000568143205 946480481 /nfs/dbraw/zinc/48/04/81/946480481.db2.gz HIIYDZVERVTGGK-SFTDATJTSA-N 1 1 418.497 4.204 20 5 HIBDMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000568684025 946654536 /nfs/dbraw/zinc/65/45/36/946654536.db2.gz GWQIOUJVDDDVNB-LJQANCHMSA-N 1 1 410.518 4.101 20 5 HIBDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569412064 946870955 /nfs/dbraw/zinc/87/09/55/946870955.db2.gz IRTWIMAVHLNNEE-INIZCTEOSA-N 1 1 411.243 4.178 20 5 HIBDMO O=c1ccccn1C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000570532145 947277670 /nfs/dbraw/zinc/27/76/70/947277670.db2.gz UQRYOQQTGXCJEO-LJQANCHMSA-N 1 1 417.387 4.306 20 5 HIBDMO O=[N+]([O-])c1cccc(Oc2ccc(-c3noc([C@@H]4CCc5[nH+]ccn5C4)n3)cc2)c1 ZINC000571225238 947554232 /nfs/dbraw/zinc/55/42/32/947554232.db2.gz CDNOYOSXJQBTHZ-OAHLLOKOSA-N 1 1 403.398 4.364 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000571543628 947695183 /nfs/dbraw/zinc/69/51/83/947695183.db2.gz QSMAUZFKNJXPAY-INIZCTEOSA-N 1 1 407.392 4.008 20 5 HIBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000572146270 947850152 /nfs/dbraw/zinc/85/01/52/947850152.db2.gz KAYCKDAANWKTGF-YVEFUNNKSA-N 1 1 412.321 4.154 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@@]2(C)CCCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000572802294 948014896 /nfs/dbraw/zinc/01/48/96/948014896.db2.gz ZFVBMKMDOCDTNY-QHCPKHFHSA-N 1 1 414.502 4.309 20 5 HIBDMO CC(C)c1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574046478 948353628 /nfs/dbraw/zinc/35/36/28/948353628.db2.gz KUPRIEBQFJIOCE-XMMPIXPASA-N 1 1 407.514 4.456 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574108773 948365825 /nfs/dbraw/zinc/36/58/25/948365825.db2.gz VVZBPMZWZILHEC-YADARESESA-N 1 1 422.529 4.272 20 5 HIBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164619775 719068995 /nfs/dbraw/zinc/06/89/95/719068995.db2.gz COPRVYAQLBJOTO-JXFKEZNVSA-N 1 1 423.904 4.292 20 5 HIBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722514 720372183 /nfs/dbraw/zinc/37/21/83/720372183.db2.gz DBPXKONELMSZKZ-QZTJIDSGSA-N 1 1 409.877 4.045 20 5 HIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164791570 721493473 /nfs/dbraw/zinc/49/34/73/721493473.db2.gz DPSSPLAPHXUCOJ-UHFFFAOYSA-N 1 1 417.513 4.419 20 5 HIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164955682 722021161 /nfs/dbraw/zinc/02/11/61/722021161.db2.gz MXBJWIPLDXPBMI-UHFFFAOYSA-N 1 1 403.486 4.031 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436124872 861410018 /nfs/dbraw/zinc/41/00/18/861410018.db2.gz AUDBGJZZLBDRSS-XLIONFOSSA-N 1 1 411.505 4.247 20 5 HIBDMO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000436142509 861439290 /nfs/dbraw/zinc/43/92/90/861439290.db2.gz FFEHGRRXYLCTRY-UHFFFAOYSA-N 1 1 417.553 4.410 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266968 845298605 /nfs/dbraw/zinc/29/86/05/845298605.db2.gz CKHZQGDSVYKCMV-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266968 845298612 /nfs/dbraw/zinc/29/86/12/845298612.db2.gz CKHZQGDSVYKCMV-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436246832 861555334 /nfs/dbraw/zinc/55/53/34/861555334.db2.gz QXYIDZRIUMERJJ-IXDOHACOSA-N 1 1 421.516 4.298 20 5 HIBDMO COc1cc(C)c(C[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000007582709 845367773 /nfs/dbraw/zinc/36/77/73/845367773.db2.gz HHOGJZWREPBGMK-CQSZACIVSA-N 1 1 412.446 4.163 20 5 HIBDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000007582709 845367782 /nfs/dbraw/zinc/36/77/82/845367782.db2.gz HHOGJZWREPBGMK-CQSZACIVSA-N 1 1 412.446 4.163 20 5 HIBDMO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000010351848 845649432 /nfs/dbraw/zinc/64/94/32/845649432.db2.gz CRMOZKPVNZLJOJ-AOMKIAJQSA-N 1 1 405.454 4.310 20 5 HIBDMO CC(C)(C)Oc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000436320227 861624238 /nfs/dbraw/zinc/62/42/38/861624238.db2.gz HCYYUGFPGRSZOG-HXUWFJFHSA-N 1 1 413.518 4.341 20 5 HIBDMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000023188097 846665860 /nfs/dbraw/zinc/66/58/60/846665860.db2.gz KCHXDXPEGFYCBB-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000023188097 846665867 /nfs/dbraw/zinc/66/58/67/846665867.db2.gz KCHXDXPEGFYCBB-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO CCOc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026454535 847153275 /nfs/dbraw/zinc/15/32/75/847153275.db2.gz OUNFRPRJWYDAON-ZDUSSCGKSA-N 1 1 423.416 4.054 20 5 HIBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026454535 847153284 /nfs/dbraw/zinc/15/32/84/847153284.db2.gz OUNFRPRJWYDAON-ZDUSSCGKSA-N 1 1 423.416 4.054 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)C[C@H](C)O1 ZINC000030001638 847667831 /nfs/dbraw/zinc/66/78/31/847667831.db2.gz TYMSWFMKPXQSIV-CALCHBBNSA-N 1 1 406.486 4.364 20 5 HIBDMO CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000032516472 848041737 /nfs/dbraw/zinc/04/17/37/848041737.db2.gz UFAWRHJGTMTCCT-LJQANCHMSA-N 1 1 417.893 4.214 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643412 848445423 /nfs/dbraw/zinc/44/54/23/848445423.db2.gz CCUFQFLYYDTEIV-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643412 848445430 /nfs/dbraw/zinc/44/54/30/848445430.db2.gz CCUFQFLYYDTEIV-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644348 848445581 /nfs/dbraw/zinc/44/55/81/848445581.db2.gz FCMUQCMAMCFUOH-UHFFFAOYSA-N 1 1 411.380 4.083 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000051469294 849473063 /nfs/dbraw/zinc/47/30/63/849473063.db2.gz AIYNACMRHIWCEK-UHFFFAOYSA-N 1 1 416.547 4.302 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCCCN2CCOCC2)cc1 ZINC000060979314 851265779 /nfs/dbraw/zinc/26/57/79/851265779.db2.gz MJEXVNFQMPYVGQ-UHFFFAOYSA-N 1 1 419.909 4.243 20 5 HIBDMO Cc1ccc(SCCNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350280 851877602 /nfs/dbraw/zinc/87/76/02/851877602.db2.gz UVYOZELRNBRJBB-UHFFFAOYSA-N 1 1 401.532 4.022 20 5 HIBDMO Cc1ccc(SCCNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350280 851877604 /nfs/dbraw/zinc/87/76/04/851877604.db2.gz UVYOZELRNBRJBB-UHFFFAOYSA-N 1 1 401.532 4.022 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000065261279 852094164 /nfs/dbraw/zinc/09/41/64/852094164.db2.gz BABYLIGUBPPRKM-IBGZPJMESA-N 1 1 411.502 4.195 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000065450262 852138511 /nfs/dbraw/zinc/13/85/11/852138511.db2.gz LHRWXYSQLIRCEY-ZFWWWQNUSA-N 1 1 420.416 4.153 20 5 HIBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071895439 852426452 /nfs/dbraw/zinc/42/64/52/852426452.db2.gz JKTJKGPUTJCPJR-SFHVURJKSA-N 1 1 408.285 4.469 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000071954866 852444784 /nfs/dbraw/zinc/44/47/84/852444784.db2.gz KULGFWJNAXHWHI-KRWDZBQOSA-N 1 1 422.529 4.331 20 5 HIBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000108419151 852848511 /nfs/dbraw/zinc/84/85/11/852848511.db2.gz HIYHMHWBLAUOHR-UHFFFAOYSA-N 1 1 414.465 4.187 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+](C)CCCc2cc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000110306844 853085619 /nfs/dbraw/zinc/08/56/19/853085619.db2.gz DULOINBYLBQWMQ-UHFFFAOYSA-N 1 1 422.485 4.451 20 5 HIBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000117271254 853350172 /nfs/dbraw/zinc/35/01/72/853350172.db2.gz DUCJKHSFUBXXQK-HXUWFJFHSA-N 1 1 415.921 4.451 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437243157 862457827 /nfs/dbraw/zinc/45/78/27/862457827.db2.gz ACIJLUZYRLSUEL-OAHLLOKOSA-N 1 1 421.419 4.350 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139818413 853422728 /nfs/dbraw/zinc/42/27/28/853422728.db2.gz HILPBXGCYLZCCE-QGZVFWFLSA-N 1 1 417.897 4.162 20 5 HIBDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000150213935 853640680 /nfs/dbraw/zinc/64/06/80/853640680.db2.gz DBSJJZGHAPAKNH-HXUWFJFHSA-N 1 1 413.474 4.086 20 5 HIBDMO CC[N@H+]1CC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236826585 853926575 /nfs/dbraw/zinc/92/65/75/853926575.db2.gz PBHJAUBUSAKARG-CYBMUJFWSA-N 1 1 408.296 4.049 20 5 HIBDMO CC[NH+](CC)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000236858615 853930048 /nfs/dbraw/zinc/93/00/48/853930048.db2.gz IEGGKILYQGTXGH-SFHVURJKSA-N 1 1 400.504 4.484 20 5 HIBDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-n2cncn2)cc1 ZINC000237510925 854047521 /nfs/dbraw/zinc/04/75/21/854047521.db2.gz ZNXFLCQMEUHPMQ-CQSZACIVSA-N 1 1 406.471 4.150 20 5 HIBDMO Cc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000237795939 854098954 /nfs/dbraw/zinc/09/89/54/854098954.db2.gz JDGSEBWCHFCJCO-SFHVURJKSA-N 1 1 421.419 4.375 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000238011004 854133659 /nfs/dbraw/zinc/13/36/59/854133659.db2.gz LWLUTIAXIXMZSB-UHFFFAOYSA-N 1 1 417.513 4.164 20 5 HIBDMO C[N@H+]1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301412954 854387540 /nfs/dbraw/zinc/38/75/40/854387540.db2.gz KWJNDHWBEVIMFB-QRWLVFNGSA-N 1 1 414.531 4.044 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301567334 854421936 /nfs/dbraw/zinc/42/19/36/854421936.db2.gz JZTDVNDYESPUEF-FXAWDEMLSA-N 1 1 410.518 4.056 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000301747526 854458114 /nfs/dbraw/zinc/45/81/14/854458114.db2.gz RBMXKUJZYNUNJU-UHFFFAOYSA-N 1 1 414.815 4.374 20 5 HIBDMO CN1CC[NH+](C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000301813028 854469344 /nfs/dbraw/zinc/46/93/44/854469344.db2.gz FMGGQFHYUAZSNQ-GOSISDBHSA-N 1 1 408.424 4.014 20 5 HIBDMO C[N@H+]1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301851392 854476667 /nfs/dbraw/zinc/47/66/67/854476667.db2.gz ANQSUTOPNPZIKK-BZNIZROVSA-N 1 1 411.325 4.309 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000303428038 854929206 /nfs/dbraw/zinc/92/92/06/854929206.db2.gz BFRVCRUWAGCZQH-AWEZNQCLSA-N 1 1 410.449 4.422 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303737918 855162922 /nfs/dbraw/zinc/16/29/22/855162922.db2.gz HILGPDNOZIEOMK-CRAIPNDOSA-N 1 1 401.894 4.373 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000303745831 855168246 /nfs/dbraw/zinc/16/82/46/855168246.db2.gz JWMZBERHVRXDDS-LAUBAEHRSA-N 1 1 422.529 4.294 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000303754850 855175570 /nfs/dbraw/zinc/17/55/70/855175570.db2.gz MUBXLQSGHMTQAL-WBVHZDCISA-N 1 1 401.894 4.373 20 5 HIBDMO COc1cc(C[NH2+]Cc2cn3ccsc3n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409481735 855502886 /nfs/dbraw/zinc/50/28/86/855502886.db2.gz BLADCGJJSMSJHX-UHFFFAOYSA-N 1 1 424.482 4.181 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410348821 855942788 /nfs/dbraw/zinc/94/27/88/855942788.db2.gz BHVUKMKKLVSUPY-INIZCTEOSA-N 1 1 412.490 4.300 20 5 HIBDMO CSc1cc(Br)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425971494 856022974 /nfs/dbraw/zinc/02/29/74/856022974.db2.gz PUQWMNLPRUBPNZ-UHFFFAOYSA-N 1 1 411.325 4.113 20 5 HIBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000426119537 856120488 /nfs/dbraw/zinc/12/04/88/856120488.db2.gz YNVCRYCJKCSWIH-NSHDSACASA-N 1 1 403.287 4.026 20 5 HIBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)C[C@H](C)O1 ZINC000437460887 862823331 /nfs/dbraw/zinc/82/33/31/862823331.db2.gz SISUTQZFJXSSIK-ROUUACIJSA-N 1 1 423.513 4.009 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000437465977 862827946 /nfs/dbraw/zinc/82/79/46/862827946.db2.gz HRNURRAGCWIWSL-MSOLQXFVSA-N 1 1 413.543 4.198 20 5 HIBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)C[C@H](C)O1 ZINC000427594744 856881886 /nfs/dbraw/zinc/88/18/86/856881886.db2.gz RGIBUTVSKIQCLX-ROUUACIJSA-N 1 1 423.513 4.009 20 5 HIBDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000428074784 857063822 /nfs/dbraw/zinc/06/38/22/857063822.db2.gz IOJKUBMUELKEGY-QGZVFWFLSA-N 1 1 409.280 4.353 20 5 HIBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000428716246 857307967 /nfs/dbraw/zinc/30/79/67/857307967.db2.gz IIHKGNLEFPOSAF-LAUBAEHRSA-N 1 1 411.527 4.302 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000428730949 857312772 /nfs/dbraw/zinc/31/27/72/857312772.db2.gz XHWBFCNBGYRYHS-MSOLQXFVSA-N 1 1 405.564 4.289 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000428730959 857312854 /nfs/dbraw/zinc/31/28/54/857312854.db2.gz XHWBFCNBGYRYHS-ZWKOTPCHSA-N 1 1 405.564 4.289 20 5 HIBDMO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000437589173 862902361 /nfs/dbraw/zinc/90/23/61/862902361.db2.gz CWTGLPMWEHSWJP-HNNXBMFYSA-N 1 1 402.882 4.377 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429158642 857535069 /nfs/dbraw/zinc/53/50/69/857535069.db2.gz CRYWEJZCMNHECX-NVGCLXPQSA-N 1 1 400.460 4.059 20 5 HIBDMO CCCOc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000437608175 862924746 /nfs/dbraw/zinc/92/47/46/862924746.db2.gz UEQISNLFEUJBFM-CVEARBPZSA-N 1 1 422.526 4.119 20 5 HIBDMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429261341 857580905 /nfs/dbraw/zinc/58/09/05/857580905.db2.gz AQMUCCIWJDNYJJ-UHFFFAOYSA-N 1 1 410.301 4.385 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430639459 858244372 /nfs/dbraw/zinc/24/43/72/858244372.db2.gz FRJCNZPGDUDHGK-LNLFQRSKSA-N 1 1 413.543 4.245 20 5 HIBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C[C@H](C)O2 ZINC000430769522 858297822 /nfs/dbraw/zinc/29/78/22/858297822.db2.gz WCJHESZNLBTAEF-VWKPWSFCSA-N 1 1 402.516 4.482 20 5 HIBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000432783667 859358337 /nfs/dbraw/zinc/35/83/37/859358337.db2.gz CLHVRAZCJXEUMP-UHFFFAOYSA-N 1 1 415.465 4.264 20 5 HIBDMO COc1cc(C[NH+]2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000432942446 859440199 /nfs/dbraw/zinc/44/01/99/859440199.db2.gz AXCHSSZQPDBSHV-UHFFFAOYSA-N 1 1 413.446 4.349 20 5 HIBDMO COc1ccccc1-c1noc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000433141000 859537877 /nfs/dbraw/zinc/53/78/77/859537877.db2.gz LKDQFPPJWDXOKF-UHFFFAOYSA-N 1 1 412.421 4.172 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000467700760 881496056 /nfs/dbraw/zinc/49/60/56/881496056.db2.gz NOODGPZGMGPWSC-CZUORRHYSA-N 1 1 407.392 4.006 20 5 HIBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000434305139 860267526 /nfs/dbraw/zinc/26/75/26/860267526.db2.gz BJZFYSUKCSVIES-FQEVSTJZSA-N 1 1 419.485 4.107 20 5 HIBDMO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435813092 861079205 /nfs/dbraw/zinc/07/92/05/861079205.db2.gz DCHKXCZMAZRZGR-OAQYLSRUSA-N 1 1 417.534 4.310 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000437838508 863193301 /nfs/dbraw/zinc/19/33/01/863193301.db2.gz UDRYGRJELCQTBA-IBGZPJMESA-N 1 1 403.526 4.208 20 5 HIBDMO CC[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000437935585 863310282 /nfs/dbraw/zinc/31/02/82/863310282.db2.gz SJYOZKHLUHLSOJ-NRFANRHFSA-N 1 1 422.529 4.106 20 5 HIBDMO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000467858650 881709152 /nfs/dbraw/zinc/70/91/52/881709152.db2.gz KYROJFSWFBEGOW-AOMKIAJQSA-N 1 1 410.495 4.439 20 5 HIBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817283 865134941 /nfs/dbraw/zinc/13/49/41/865134941.db2.gz AWYXEQCLVFGZNZ-HOTGVXAUSA-N 1 1 400.454 4.329 20 5 HIBDMO O=C(C[NH2+]C1(c2ccc(F)cc2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440287830 865538852 /nfs/dbraw/zinc/53/88/52/865538852.db2.gz BOGBTKOCYUCPGK-UHFFFAOYSA-N 1 1 412.446 4.075 20 5 HIBDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499997 865797586 /nfs/dbraw/zinc/79/75/86/865797586.db2.gz OCFAYAGCWXXZRH-YESZJQIVSA-N 1 1 411.506 4.017 20 5 HIBDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499997 865797590 /nfs/dbraw/zinc/79/75/90/865797590.db2.gz OCFAYAGCWXXZRH-YESZJQIVSA-N 1 1 411.506 4.017 20 5 HIBDMO CC1(C)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440542690 865811928 /nfs/dbraw/zinc/81/19/28/865811928.db2.gz FNZIZFPGMCREJK-QSAZIKIQSA-N 1 1 411.502 4.462 20 5 HIBDMO COc1ccc(OCC[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000441021790 866087814 /nfs/dbraw/zinc/08/78/14/866087814.db2.gz BOYTXHRYYMRCRG-OAQYLSRUSA-N 1 1 413.861 4.410 20 5 HIBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441266094 866339590 /nfs/dbraw/zinc/33/95/90/866339590.db2.gz UKIPWWWNEVZQQX-KZULUSFZSA-N 1 1 407.392 4.296 20 5 HIBDMO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000441306802 866379130 /nfs/dbraw/zinc/37/91/30/866379130.db2.gz KGCKIIZPIMVBEH-IBGZPJMESA-N 1 1 417.853 4.031 20 5 HIBDMO CSc1cccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1[N+](=O)[O-] ZINC000468182212 882058086 /nfs/dbraw/zinc/05/80/86/882058086.db2.gz HAGLMYHXMXTAPP-UHFFFAOYSA-N 1 1 424.320 4.393 20 5 HIBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442632589 867574410 /nfs/dbraw/zinc/57/44/10/867574410.db2.gz DUOUNJDIGVSWRT-UHFFFAOYSA-N 1 1 410.499 4.413 20 5 HIBDMO C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000444307850 868739545 /nfs/dbraw/zinc/73/95/45/868739545.db2.gz MGKXBGFMBZBIGH-FUHWJXTLSA-N 1 1 403.526 4.064 20 5 HIBDMO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444776150 868998445 /nfs/dbraw/zinc/99/84/45/868998445.db2.gz BDAZRVNKWRDENM-QGZVFWFLSA-N 1 1 407.392 4.076 20 5 HIBDMO C[C@H](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@@H+](C)Cc1ccccc1 ZINC000444995100 869150765 /nfs/dbraw/zinc/15/07/65/869150765.db2.gz GJYSSVIIZSFPMO-GOSISDBHSA-N 1 1 413.521 4.322 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000446484011 870397312 /nfs/dbraw/zinc/39/73/12/870397312.db2.gz FYKNSKKPLXKMBV-MRXNPFEDSA-N 1 1 422.407 4.318 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000446487795 870400866 /nfs/dbraw/zinc/40/08/66/870400866.db2.gz FUKJVFFPWITKEX-UGKGYDQZSA-N 1 1 408.502 4.422 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3cncc(F)c3)CC2)s1 ZINC000468500433 882494332 /nfs/dbraw/zinc/49/43/32/882494332.db2.gz JFBCZLXDTGTAHH-UHFFFAOYSA-N 1 1 412.490 4.175 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000447674820 871605930 /nfs/dbraw/zinc/60/59/30/871605930.db2.gz HFAVVRYCZMKXNZ-UHFFFAOYSA-N 1 1 408.371 4.099 20 5 HIBDMO COc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448362031 872309996 /nfs/dbraw/zinc/30/99/96/872309996.db2.gz ZDBNQPSUNPFFIA-UWJYYQICSA-N 1 1 414.502 4.308 20 5 HIBDMO C[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448364916 872314150 /nfs/dbraw/zinc/31/41/50/872314150.db2.gz HLBSJHLYIJACKZ-SFHVURJKSA-N 1 1 411.502 4.133 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448364916 872314175 /nfs/dbraw/zinc/31/41/75/872314175.db2.gz HLBSJHLYIJACKZ-SFHVURJKSA-N 1 1 411.502 4.133 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000460494830 873180004 /nfs/dbraw/zinc/18/00/04/873180004.db2.gz ZCCRDVHKFRKQIC-YUXAGFNASA-N 1 1 422.529 4.128 20 5 HIBDMO CC[C@H](NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000460497094 873183988 /nfs/dbraw/zinc/18/39/88/873183988.db2.gz RXJFIXLOTQFTNI-XPNTWCBSSA-N 1 1 422.529 4.209 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000461469744 874525815 /nfs/dbraw/zinc/52/58/15/874525815.db2.gz PDMJBKJVWAZAEG-GOSISDBHSA-N 1 1 406.486 4.108 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000462776479 875833112 /nfs/dbraw/zinc/83/31/12/875833112.db2.gz SLENAHCOTSXOFN-UHFFFAOYSA-N 1 1 416.441 4.050 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1OC(F)F ZINC000462793192 875844104 /nfs/dbraw/zinc/84/41/04/875844104.db2.gz QZTJBRMTZAFEQD-UHFFFAOYSA-N 1 1 405.445 4.341 20 5 HIBDMO C[N@H+](CCc1cccc(Br)c1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000463430919 876486413 /nfs/dbraw/zinc/48/64/13/876486413.db2.gz XUKUSPTWJDXNEL-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO C[N@@H+](CCc1cccc(Br)c1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000463430919 876486421 /nfs/dbraw/zinc/48/64/21/876486421.db2.gz XUKUSPTWJDXNEL-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO COc1cc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000464491858 877711099 /nfs/dbraw/zinc/71/10/99/877711099.db2.gz BYQBSIKHZFOOPW-SFHVURJKSA-N 1 1 404.438 4.224 20 5 HIBDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464776791 878019473 /nfs/dbraw/zinc/01/94/73/878019473.db2.gz OPLWKLOFOPZYFM-INIZCTEOSA-N 1 1 420.469 4.013 20 5 HIBDMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782627 878028638 /nfs/dbraw/zinc/02/86/38/878028638.db2.gz YUNZGWZKHFHCCX-ZWKOTPCHSA-N 1 1 411.502 4.012 20 5 HIBDMO C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000464839724 878105984 /nfs/dbraw/zinc/10/59/84/878105984.db2.gz RFJWLQPLBUHWHP-IBGZPJMESA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1Cc1ccccc1 ZINC000464839724 878106001 /nfs/dbraw/zinc/10/60/01/878106001.db2.gz RFJWLQPLBUHWHP-IBGZPJMESA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1Cc1ccccc1 ZINC000464839724 878106018 /nfs/dbraw/zinc/10/60/18/878106018.db2.gz RFJWLQPLBUHWHP-IBGZPJMESA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840395 878109430 /nfs/dbraw/zinc/10/94/30/878109430.db2.gz UNGAWJZUTMTHJG-IEBWSBKVSA-N 1 1 421.501 4.160 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000465183007 878572028 /nfs/dbraw/zinc/57/20/28/878572028.db2.gz HBGKFIKBPUJFSV-AWEZNQCLSA-N 1 1 403.866 4.221 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503411836 912394769 /nfs/dbraw/zinc/39/47/69/912394769.db2.gz QWQYTFNJWAYPDQ-WBVHZDCISA-N 1 1 422.489 4.118 20 5 HIBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000466589620 880361961 /nfs/dbraw/zinc/36/19/61/880361961.db2.gz ZPJXUCOYEIHSAQ-AWEZNQCLSA-N 1 1 422.938 4.021 20 5 HIBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000466812798 880586879 /nfs/dbraw/zinc/58/68/79/880586879.db2.gz LZCUJUBEGMCZPV-CYBMUJFWSA-N 1 1 405.907 4.081 20 5 HIBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000469931795 884125806 /nfs/dbraw/zinc/12/58/06/884125806.db2.gz YRNVRLZQYHPCQP-OAHLLOKOSA-N 1 1 422.407 4.257 20 5 HIBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470171139 884450030 /nfs/dbraw/zinc/45/00/30/884450030.db2.gz GBJOFKIDVYMCNF-IUYQLWOBSA-N 1 1 413.440 4.121 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000470184163 884474003 /nfs/dbraw/zinc/47/40/03/884474003.db2.gz QSDNSBNMOJATCO-JZJYNLBNSA-N 1 1 407.514 4.165 20 5 HIBDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000471158071 885709244 /nfs/dbraw/zinc/70/92/44/885709244.db2.gz WRCBENDWUYRTOP-UHFFFAOYSA-N 1 1 416.481 4.063 20 5 HIBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000471158071 885709253 /nfs/dbraw/zinc/70/92/53/885709253.db2.gz WRCBENDWUYRTOP-UHFFFAOYSA-N 1 1 416.481 4.063 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000471456114 886131729 /nfs/dbraw/zinc/13/17/29/886131729.db2.gz XIMWHGFRFFZXQZ-IRXDYDNUSA-N 1 1 401.532 4.102 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC[N@H+]2C2CC2)c1 ZINC000471937583 886734622 /nfs/dbraw/zinc/73/46/22/886734622.db2.gz SUFHXOLWVWXCIK-DENIHFKCSA-N 1 1 424.501 4.320 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C2CC2)c1 ZINC000471952392 886759287 /nfs/dbraw/zinc/75/92/87/886759287.db2.gz GQWACNSYRZZEGU-CTNGQTDRSA-N 1 1 410.474 4.011 20 5 HIBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473499689 888223860 /nfs/dbraw/zinc/22/38/60/888223860.db2.gz ZFAZFNHFFDBVGO-JOCHJYFZSA-N 1 1 413.905 4.377 20 5 HIBDMO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473790446 888605033 /nfs/dbraw/zinc/60/50/33/888605033.db2.gz UXNUXWIBEJWBGM-DENIHFKCSA-N 1 1 408.502 4.422 20 5 HIBDMO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473945099 888821451 /nfs/dbraw/zinc/82/14/51/888821451.db2.gz MJMIISFKIKAFIZ-PGRDOPGGSA-N 1 1 410.518 4.004 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474237974 889083567 /nfs/dbraw/zinc/08/35/67/889083567.db2.gz WJNSICDXXNHOCJ-KRWDZBQOSA-N 1 1 422.441 4.261 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474237974 889083582 /nfs/dbraw/zinc/08/35/82/889083582.db2.gz WJNSICDXXNHOCJ-KRWDZBQOSA-N 1 1 422.441 4.261 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000474367661 889246565 /nfs/dbraw/zinc/24/65/65/889246565.db2.gz DYBUDYDLTJBQAP-LLVKDONJSA-N 1 1 413.257 4.304 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279408 890175001 /nfs/dbraw/zinc/17/50/01/890175001.db2.gz NPEBWALJBSVKGI-MWLCHTKSSA-N 1 1 416.318 4.317 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279408 890175019 /nfs/dbraw/zinc/17/50/19/890175019.db2.gz NPEBWALJBSVKGI-MWLCHTKSSA-N 1 1 416.318 4.317 20 5 HIBDMO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475314156 890229302 /nfs/dbraw/zinc/22/93/02/890229302.db2.gz RVTHWOBNUSPKNK-IBGZPJMESA-N 1 1 422.510 4.065 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000475572115 890502919 /nfs/dbraw/zinc/50/29/19/890502919.db2.gz NQBXMTMCGQNLBR-UHFFFAOYSA-N 1 1 413.257 4.085 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000475572115 890502928 /nfs/dbraw/zinc/50/29/28/890502928.db2.gz NQBXMTMCGQNLBR-UHFFFAOYSA-N 1 1 413.257 4.085 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000475725870 890663676 /nfs/dbraw/zinc/66/36/76/890663676.db2.gz PPLBDWOFYVANDG-CQSZACIVSA-N 1 1 421.519 4.228 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000475725870 890663681 /nfs/dbraw/zinc/66/36/81/890663681.db2.gz PPLBDWOFYVANDG-CQSZACIVSA-N 1 1 421.519 4.228 20 5 HIBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cn3cc(Br)ccc3n2)cc1[N+](=O)[O-] ZINC000504905042 913638305 /nfs/dbraw/zinc/63/83/05/913638305.db2.gz BCBLMUZYQITXAE-LBPRGKRZSA-N 1 1 419.279 4.255 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1)CC(F)(F)F ZINC000477759753 892850211 /nfs/dbraw/zinc/85/02/11/892850211.db2.gz NFGOIDJSLMLWMX-OAHLLOKOSA-N 1 1 403.445 4.088 20 5 HIBDMO CCOc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000478341505 893584659 /nfs/dbraw/zinc/58/46/59/893584659.db2.gz LXHGMQCNVDWFFK-KRWDZBQOSA-N 1 1 403.523 4.110 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000479238157 894501414 /nfs/dbraw/zinc/50/14/14/894501414.db2.gz CINCANUJBPUVMU-INIZCTEOSA-N 1 1 406.486 4.381 20 5 HIBDMO C[C@@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479442754 894759557 /nfs/dbraw/zinc/75/95/57/894759557.db2.gz YFTDBNBGIAJOID-QZTJIDSGSA-N 1 1 402.539 4.342 20 5 HIBDMO Cc1c(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)cccc1[N+](=O)[O-] ZINC000480452555 895840050 /nfs/dbraw/zinc/84/00/50/895840050.db2.gz HPHUJUCOBOYBQA-UHFFFAOYSA-N 1 1 401.264 4.346 20 5 HIBDMO Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000480564263 895925222 /nfs/dbraw/zinc/92/52/22/895925222.db2.gz ROCOPTMEPWCQIH-UHFFFAOYSA-N 1 1 408.424 4.091 20 5 HIBDMO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481545264 896907059 /nfs/dbraw/zinc/90/70/59/896907059.db2.gz QZAOSBPJWGCRRX-XIKOKIGWSA-N 1 1 402.838 4.164 20 5 HIBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481893020 897270826 /nfs/dbraw/zinc/27/08/26/897270826.db2.gz SHPGTWRCIYFYSB-GGAORHGYSA-N 1 1 407.514 4.041 20 5 HIBDMO COCCC[NH+]1CCC(N[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000481911954 897293973 /nfs/dbraw/zinc/29/39/73/897293973.db2.gz UJGXMNUSFKOYFK-MRXNPFEDSA-N 1 1 403.548 4.475 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000482214739 897694915 /nfs/dbraw/zinc/69/49/15/897694915.db2.gz TZGWCFFUOKQMGL-HSZRJFAPSA-N 1 1 408.502 4.342 20 5 HIBDMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482281419 897774653 /nfs/dbraw/zinc/77/46/53/897774653.db2.gz DVUXMTWAMZZTEF-QTGUNEKASA-N 1 1 422.529 4.352 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000482471357 898046221 /nfs/dbraw/zinc/04/62/21/898046221.db2.gz TXVBYIWZOJKFQB-IBGZPJMESA-N 1 1 421.419 4.254 20 5 HIBDMO C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483244289 898886647 /nfs/dbraw/zinc/88/66/47/898886647.db2.gz ZXTQPHRIAUXCEE-IRXDYDNUSA-N 1 1 415.559 4.475 20 5 HIBDMO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483244289 898886649 /nfs/dbraw/zinc/88/66/49/898886649.db2.gz ZXTQPHRIAUXCEE-IRXDYDNUSA-N 1 1 415.559 4.475 20 5 HIBDMO C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483244285 898886996 /nfs/dbraw/zinc/88/69/96/898886996.db2.gz ZXTQPHRIAUXCEE-IAGOWNOFSA-N 1 1 415.559 4.475 20 5 HIBDMO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483244285 898887002 /nfs/dbraw/zinc/88/70/02/898887002.db2.gz ZXTQPHRIAUXCEE-IAGOWNOFSA-N 1 1 415.559 4.475 20 5 HIBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000483438380 899071381 /nfs/dbraw/zinc/07/13/81/899071381.db2.gz MRRQWNUUALJTQL-KRWDZBQOSA-N 1 1 415.877 4.237 20 5 HIBDMO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000483459128 899097519 /nfs/dbraw/zinc/09/75/19/899097519.db2.gz VPKNMXKYOWYXLX-OPAMFIHVSA-N 1 1 410.495 4.439 20 5 HIBDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000483648299 899305049 /nfs/dbraw/zinc/30/50/49/899305049.db2.gz VAYRADCKUHQBNF-GJZGRUSLSA-N 1 1 423.473 4.275 20 5 HIBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484969729 900329878 /nfs/dbraw/zinc/32/98/78/900329878.db2.gz NHRZWZJUMLSVHZ-IAGOWNOFSA-N 1 1 415.877 4.397 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1SC ZINC000484985326 900340626 /nfs/dbraw/zinc/34/06/26/900340626.db2.gz QHKLXHXOCKSIGP-MRXNPFEDSA-N 1 1 423.922 4.011 20 5 HIBDMO Cn1nc(CCC[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1-c1ccc(F)cc1 ZINC000505778695 914444629 /nfs/dbraw/zinc/44/46/29/914444629.db2.gz WUXKVPFSYKFQCP-UHFFFAOYSA-N 1 1 400.429 4.338 20 5 HIBDMO Cn1nc(CCC[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1-c1ccc(F)cc1 ZINC000505778695 914444644 /nfs/dbraw/zinc/44/46/44/914444644.db2.gz WUXKVPFSYKFQCP-UHFFFAOYSA-N 1 1 400.429 4.338 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505841487 914492644 /nfs/dbraw/zinc/49/26/44/914492644.db2.gz WARJWKKSJOXOJV-HNNXBMFYSA-N 1 1 422.428 4.148 20 5 HIBDMO CC[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)c1cccc([N+](=O)[O-])c1 ZINC000485837323 901083098 /nfs/dbraw/zinc/08/30/98/901083098.db2.gz ZOZZBQRADXPHMS-HNNXBMFYSA-N 1 1 403.280 4.485 20 5 HIBDMO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccc(Br)cc3n2C)cc1[N+](=O)[O-] ZINC000485846862 901090992 /nfs/dbraw/zinc/09/09/92/901090992.db2.gz TVYWMCOLZMVTAH-GFCCVEGCSA-N 1 1 403.280 4.403 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1SC ZINC000505906925 914549761 /nfs/dbraw/zinc/54/97/61/914549761.db2.gz QHXGOSZKCRGLTC-HOTGVXAUSA-N 1 1 421.563 4.052 20 5 HIBDMO CSc1cccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000486486873 901642879 /nfs/dbraw/zinc/64/28/79/901642879.db2.gz KNXXXZHWDMLGMG-UHFFFAOYSA-N 1 1 413.543 4.097 20 5 HIBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000487007452 902011284 /nfs/dbraw/zinc/01/12/84/902011284.db2.gz BJQZTJFNLARSTH-QGZVFWFLSA-N 1 1 409.511 4.104 20 5 HIBDMO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488785377 903000333 /nfs/dbraw/zinc/00/03/33/903000333.db2.gz OXTHIORWGWNACZ-UHFFFAOYSA-N 1 1 413.522 4.314 20 5 HIBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[nH+]1 ZINC000489223734 903273581 /nfs/dbraw/zinc/27/35/81/903273581.db2.gz OMRYLRXUTVYCOY-UHFFFAOYSA-N 1 1 408.483 4.291 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000489572716 903470825 /nfs/dbraw/zinc/47/08/25/903470825.db2.gz RTRRUHCIBLMUIS-GFCCVEGCSA-N 1 1 416.384 4.181 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000489916102 903671899 /nfs/dbraw/zinc/67/18/99/903671899.db2.gz HFWBBEFGJIFQNA-KUHUBIRLSA-N 1 1 404.898 4.220 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490041796 903737744 /nfs/dbraw/zinc/73/77/44/903737744.db2.gz GUPIYRRJPHBEFD-SNVBAGLBSA-N 1 1 402.398 4.058 20 5 HIBDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490043889 903740387 /nfs/dbraw/zinc/74/03/87/903740387.db2.gz CIZYDKFXJKNBKB-UHFFFAOYSA-N 1 1 403.866 4.250 20 5 HIBDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490049004 903742616 /nfs/dbraw/zinc/74/26/16/903742616.db2.gz VAXIGAWFTCAUJD-IBGZPJMESA-N 1 1 405.882 4.205 20 5 HIBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300199 903888952 /nfs/dbraw/zinc/88/89/52/903888952.db2.gz OSABACJQTWTCNY-UGKGYDQZSA-N 1 1 417.456 4.064 20 5 HIBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300199 903888955 /nfs/dbraw/zinc/88/89/55/903888955.db2.gz OSABACJQTWTCNY-UGKGYDQZSA-N 1 1 417.456 4.064 20 5 HIBDMO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490339562 903929709 /nfs/dbraw/zinc/92/97/09/903929709.db2.gz JMSODWUQOBMGTK-CQSZACIVSA-N 1 1 422.428 4.245 20 5 HIBDMO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490788237 904234571 /nfs/dbraw/zinc/23/45/71/904234571.db2.gz BANFROMMZOIWPK-GOEBONIOSA-N 1 1 421.419 4.254 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000491085078 904418280 /nfs/dbraw/zinc/41/82/80/904418280.db2.gz LWHYHVPOZXDTES-KRWDZBQOSA-N 1 1 413.543 4.443 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491082073 904418671 /nfs/dbraw/zinc/41/86/71/904418671.db2.gz ZPYPGNDXEATAAS-AWEZNQCLSA-N 1 1 410.392 4.376 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491425466 904592363 /nfs/dbraw/zinc/59/23/63/904592363.db2.gz ZQUFDFPUECMIOI-JPYJTQIMSA-N 1 1 422.529 4.179 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345119 905093331 /nfs/dbraw/zinc/09/33/31/905093331.db2.gz VVWXZARUMMHFDQ-OXQOHEQNSA-N 1 1 411.527 4.221 20 5 HIBDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000494070119 905409229 /nfs/dbraw/zinc/40/92/29/905409229.db2.gz VBPJHBIAJVOUHC-DYVFJYSZSA-N 1 1 407.392 4.006 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494170051 905505727 /nfs/dbraw/zinc/50/57/27/905505727.db2.gz ITPWXENDTXREPT-PKOBYXMFSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494170051 905505741 /nfs/dbraw/zinc/50/57/41/905505741.db2.gz ITPWXENDTXREPT-PKOBYXMFSA-N 1 1 423.847 4.480 20 5 HIBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000494413573 905702078 /nfs/dbraw/zinc/70/20/78/905702078.db2.gz TVMXYGFGDRZZQL-UWVGGRQHSA-N 1 1 402.398 4.138 20 5 HIBDMO NC(=O)c1coc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 ZINC000494458542 905739638 /nfs/dbraw/zinc/73/96/38/905739638.db2.gz URFFLHOLTQXWBU-UHFFFAOYSA-N 1 1 401.806 4.022 20 5 HIBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000512455844 921173127 /nfs/dbraw/zinc/17/31/27/921173127.db2.gz JAWCRXVELCOVPC-MRXNPFEDSA-N 1 1 401.532 4.308 20 5 HIBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000494481881 905764315 /nfs/dbraw/zinc/76/43/15/905764315.db2.gz CMBZMHQNPNKFJA-SNVBAGLBSA-N 1 1 420.384 4.007 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000494495743 905783814 /nfs/dbraw/zinc/78/38/14/905783814.db2.gz OGSOBPCVDZGYDI-WMZOPIPTSA-N 1 1 418.812 4.057 20 5 HIBDMO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494499437 905788865 /nfs/dbraw/zinc/78/88/65/905788865.db2.gz ZQFRQYUTFXIUBQ-RZAIGCCYSA-N 1 1 414.849 4.479 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000495391251 906423629 /nfs/dbraw/zinc/42/36/29/906423629.db2.gz NBCXUOKROQPCDZ-ZDUSSCGKSA-N 1 1 411.380 4.261 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000495391251 906423633 /nfs/dbraw/zinc/42/36/33/906423633.db2.gz NBCXUOKROQPCDZ-ZDUSSCGKSA-N 1 1 411.380 4.261 20 5 HIBDMO COc1ccc(CCC[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000497471934 906954307 /nfs/dbraw/zinc/95/43/07/906954307.db2.gz ISSOCUULAHQWFW-CQSZACIVSA-N 1 1 405.882 4.148 20 5 HIBDMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000512737320 921299453 /nfs/dbraw/zinc/29/94/53/921299453.db2.gz ZYHKKRLPQNEWEA-INIZCTEOSA-N 1 1 422.407 4.318 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)C1 ZINC000498303474 907829085 /nfs/dbraw/zinc/82/90/85/907829085.db2.gz KPOAPJPOLAMLBX-INIZCTEOSA-N 1 1 420.469 4.116 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000498561102 908022280 /nfs/dbraw/zinc/02/22/80/908022280.db2.gz QHRRPEZOPZWCDP-TZIWHRDSSA-N 1 1 410.474 4.011 20 5 HIBDMO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498689344 908117487 /nfs/dbraw/zinc/11/74/87/908117487.db2.gz LLYHSNBYKUXYHZ-RXVVDRJESA-N 1 1 422.529 4.179 20 5 HIBDMO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc([N+](=O)[O-])c1 ZINC000498716964 908141467 /nfs/dbraw/zinc/14/14/67/908141467.db2.gz NEJHZGGQVIKGFI-UHFFFAOYSA-N 1 1 421.419 4.316 20 5 HIBDMO Cc1csc(Sc2ccc(C(=O)Nc3cc[nH+]c(N(C)C)c3)cc2[N+](=O)[O-])n1 ZINC000500425934 909849967 /nfs/dbraw/zinc/84/99/67/909849967.db2.gz QMFYEAKUMLNGKV-UHFFFAOYSA-N 1 1 415.500 4.224 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000500844242 910118948 /nfs/dbraw/zinc/11/89/48/910118948.db2.gz SBCOHAUSMZAMCS-CRAIPNDOSA-N 1 1 422.510 4.284 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501149615 910324255 /nfs/dbraw/zinc/32/42/55/910324255.db2.gz HJXYVJMASSNESG-UHFFFAOYSA-N 1 1 408.458 4.143 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(I)cc2Cl)cc1 ZINC000501386244 910516885 /nfs/dbraw/zinc/51/68/85/910516885.db2.gz HCHSYIYJFAGUST-UHFFFAOYSA-N 1 1 402.619 4.143 20 5 HIBDMO CCOc1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)ccc1[N+](=O)[O-] ZINC000501559420 910665240 /nfs/dbraw/zinc/66/52/40/910665240.db2.gz FGUBPYRIKMHWIY-HNNXBMFYSA-N 1 1 407.264 4.369 20 5 HIBDMO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501960728 910947308 /nfs/dbraw/zinc/94/73/08/910947308.db2.gz YQCUTHLLVYVWBI-LPHOPBHVSA-N 1 1 406.486 4.374 20 5 HIBDMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506493887 915100002 /nfs/dbraw/zinc/10/00/02/915100002.db2.gz CDBIXBVDLNJOLP-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506493887 915100012 /nfs/dbraw/zinc/10/00/12/915100012.db2.gz CDBIXBVDLNJOLP-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000506732907 915418855 /nfs/dbraw/zinc/41/88/55/915418855.db2.gz AUQMEWJPIXUNPB-NRFANRHFSA-N 1 1 422.485 4.350 20 5 HIBDMO CCCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000506772458 915487131 /nfs/dbraw/zinc/48/71/31/915487131.db2.gz AKLWUWAKDHXGHS-QGZVFWFLSA-N 1 1 408.545 4.113 20 5 HIBDMO CCCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000506772458 915487158 /nfs/dbraw/zinc/48/71/58/915487158.db2.gz AKLWUWAKDHXGHS-QGZVFWFLSA-N 1 1 408.545 4.113 20 5 HIBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000508454611 917239469 /nfs/dbraw/zinc/23/94/69/917239469.db2.gz ILSBWEMOMFFIDY-GOSISDBHSA-N 1 1 401.532 4.482 20 5 HIBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000508648621 917414195 /nfs/dbraw/zinc/41/41/95/917414195.db2.gz DUHSOYDRRWTGNS-HIFRSBDPSA-N 1 1 403.866 4.126 20 5 HIBDMO CC[N@@H+]1CCC[C@@H](CN(C)c2cc(C)nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1cnn(C)c1 ZINC000509616767 918265036 /nfs/dbraw/zinc/26/50/36/918265036.db2.gz ITRFFPNSXQTQOL-GAJHUEQPSA-N 1 1 422.533 4.094 20 5 HIBDMO CC[N@H+]1CCC[C@@H](CN(C)c2cc(C)nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1cnn(C)c1 ZINC000509616767 918265060 /nfs/dbraw/zinc/26/50/60/918265060.db2.gz ITRFFPNSXQTQOL-GAJHUEQPSA-N 1 1 422.533 4.094 20 5 HIBDMO COc1ccc(CNCC[NH+]2CCC(C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509622859 918270215 /nfs/dbraw/zinc/27/02/15/918270215.db2.gz XCKYSKSSYRHBJU-UHFFFAOYSA-N 1 1 413.518 4.004 20 5 HIBDMO C[C@H](NC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000509760717 918374643 /nfs/dbraw/zinc/37/46/43/918374643.db2.gz HGEQYOULUCZPEA-WSTZPKSXSA-N 1 1 410.518 4.256 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000510100638 918665304 /nfs/dbraw/zinc/66/53/04/918665304.db2.gz SBDRUOAQMZMXOI-IEBWSBKVSA-N 1 1 413.543 4.104 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000510134019 918690824 /nfs/dbraw/zinc/69/08/24/918690824.db2.gz WFKGJUMYRHNDGJ-AZUAARDMSA-N 1 1 409.530 4.289 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510149654 918703779 /nfs/dbraw/zinc/70/37/79/918703779.db2.gz SSXFOEZEZYHDEK-DOTOQJQBSA-N 1 1 401.894 4.279 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510418421 918886048 /nfs/dbraw/zinc/88/60/48/918886048.db2.gz WKJJTIPQXYDZNZ-KBXCAEBGSA-N 1 1 404.430 4.003 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510418421 918886049 /nfs/dbraw/zinc/88/60/49/918886049.db2.gz WKJJTIPQXYDZNZ-KBXCAEBGSA-N 1 1 404.430 4.003 20 5 HIBDMO COc1cc(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000510450342 918906790 /nfs/dbraw/zinc/90/67/90/918906790.db2.gz UCBUAKHDFPHIPS-LZWOXQAQSA-N 1 1 413.465 4.042 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000510537887 918981996 /nfs/dbraw/zinc/98/19/96/918981996.db2.gz KMCZUILAJWVRHY-GOSISDBHSA-N 1 1 422.485 4.285 20 5 HIBDMO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CCO1 ZINC000510551523 918996672 /nfs/dbraw/zinc/99/66/72/918996672.db2.gz JAPDMYAHFYPIRF-OAHLLOKOSA-N 1 1 419.909 4.193 20 5 HIBDMO C[C@@H]1C[N@H+](C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CCO1 ZINC000510551523 918996677 /nfs/dbraw/zinc/99/66/77/918996677.db2.gz JAPDMYAHFYPIRF-OAHLLOKOSA-N 1 1 419.909 4.193 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000510822336 919300502 /nfs/dbraw/zinc/30/05/02/919300502.db2.gz UPUXJAGMNHHAEB-IBGZPJMESA-N 1 1 424.545 4.211 20 5 HIBDMO CN(C(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000511083363 919686357 /nfs/dbraw/zinc/68/63/57/919686357.db2.gz YLMUIIOZGPVRIA-NRFANRHFSA-N 1 1 403.429 4.120 20 5 HIBDMO Cc1cc(C(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1Cc1ccco1 ZINC000511141815 919761627 /nfs/dbraw/zinc/76/16/27/919761627.db2.gz NBYVHXQYPJASQS-GOSISDBHSA-N 1 1 409.486 4.400 20 5 HIBDMO Cc1cc(C(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1Cc1ccco1 ZINC000511141815 919761636 /nfs/dbraw/zinc/76/16/36/919761636.db2.gz NBYVHXQYPJASQS-GOSISDBHSA-N 1 1 409.486 4.400 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511270684 919869589 /nfs/dbraw/zinc/86/95/89/919869589.db2.gz SFECTRZDFWVGNF-CVEARBPZSA-N 1 1 405.564 4.478 20 5 HIBDMO C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000511322235 919912713 /nfs/dbraw/zinc/91/27/13/919912713.db2.gz GNKZGQLETOGGMV-CQSZACIVSA-N 1 1 415.877 4.421 20 5 HIBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496261 920105791 /nfs/dbraw/zinc/10/57/91/920105791.db2.gz UGRDPPXTAOTBAF-WBVHZDCISA-N 1 1 416.547 4.235 20 5 HIBDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000511628734 920289646 /nfs/dbraw/zinc/28/96/46/920289646.db2.gz YRCCUBUYYALKEY-UHFFFAOYSA-N 1 1 419.279 4.373 20 5 HIBDMO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000511628734 920289666 /nfs/dbraw/zinc/28/96/66/920289666.db2.gz YRCCUBUYYALKEY-UHFFFAOYSA-N 1 1 419.279 4.373 20 5 HIBDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511640287 920306182 /nfs/dbraw/zinc/30/61/82/920306182.db2.gz LULWXTCAXHODHJ-HXUWFJFHSA-N 1 1 400.475 4.183 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000511713202 920378725 /nfs/dbraw/zinc/37/87/25/920378725.db2.gz CZYKBFLVMUBCBH-HXUWFJFHSA-N 1 1 413.543 4.347 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000511753576 920432687 /nfs/dbraw/zinc/43/26/87/920432687.db2.gz LTRLHYVRFHBPBM-JOCHJYFZSA-N 1 1 420.513 4.036 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)C1 ZINC000512074290 920839906 /nfs/dbraw/zinc/83/99/06/920839906.db2.gz QEGOWJXJVRJWAJ-INIZCTEOSA-N 1 1 406.486 4.238 20 5 HIBDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000512337879 921084040 /nfs/dbraw/zinc/08/40/40/921084040.db2.gz JTRQBXNGKQEJSU-AWEZNQCLSA-N 1 1 408.401 4.203 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513491465 921843654 /nfs/dbraw/zinc/84/36/54/921843654.db2.gz UCOXVIPTXLXXMI-LJQANCHMSA-N 1 1 400.475 4.041 20 5 HIBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000562370866 945065931 /nfs/dbraw/zinc/06/59/31/945065931.db2.gz BJXZFHIWLAMIAP-LJQANCHMSA-N 1 1 406.490 4.042 20 5 HIBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000514635048 922736642 /nfs/dbraw/zinc/73/66/42/922736642.db2.gz QMLNUPYSLYCIOY-QGZVFWFLSA-N 1 1 415.465 4.264 20 5 HIBDMO CC[NH+](CC)Cc1cccc(CN[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000515761946 923334363 /nfs/dbraw/zinc/33/43/63/923334363.db2.gz IJHZXZPWZQYYRM-OAHLLOKOSA-N 1 1 418.925 4.207 20 5 HIBDMO CN1CC[NH+](Cc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)CC1 ZINC000518785431 927490233 /nfs/dbraw/zinc/49/02/33/927490233.db2.gz XHBXGUVLDHSQRP-UHFFFAOYSA-N 1 1 410.521 4.388 20 5 HIBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000518838410 927538866 /nfs/dbraw/zinc/53/88/66/927538866.db2.gz SPJRYFMQMXKJLE-INIZCTEOSA-N 1 1 408.882 4.258 20 5 HIBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(Br)c1 ZINC000520183169 928374089 /nfs/dbraw/zinc/37/40/89/928374089.db2.gz JLMXBGQWABPNPM-UHFFFAOYSA-N 1 1 417.263 4.429 20 5 HIBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(Br)c1 ZINC000520183169 928374104 /nfs/dbraw/zinc/37/41/04/928374104.db2.gz JLMXBGQWABPNPM-UHFFFAOYSA-N 1 1 417.263 4.429 20 5 HIBDMO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000520554913 928638442 /nfs/dbraw/zinc/63/84/42/928638442.db2.gz TZRWJFNRWKUGSK-UHFFFAOYSA-N 1 1 402.882 4.377 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)cc2)C1 ZINC000521064268 928968958 /nfs/dbraw/zinc/96/89/58/928968958.db2.gz BWJHLEDTWKDZOC-HNNXBMFYSA-N 1 1 420.469 4.333 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)cc2[N+](=O)[O-])cc1 ZINC000521294977 929107608 /nfs/dbraw/zinc/10/76/08/929107608.db2.gz OTQCXPZVJUHPBR-INIZCTEOSA-N 1 1 411.527 4.269 20 5 HIBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000521323421 929137180 /nfs/dbraw/zinc/13/71/80/929137180.db2.gz QXVFSAFPBIETBH-FQEVSTJZSA-N 1 1 410.518 4.039 20 5 HIBDMO COc1cc(CN[C@H](C)C[NH+]2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521820362 929478018 /nfs/dbraw/zinc/47/80/18/929478018.db2.gz NNPCRCPAHPMTJW-GOSISDBHSA-N 1 1 413.518 4.146 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000525137327 930056647 /nfs/dbraw/zinc/05/66/47/930056647.db2.gz UQEGISWAJKXLDQ-SFHVURJKSA-N 1 1 401.894 4.341 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000525137327 930056659 /nfs/dbraw/zinc/05/66/59/930056659.db2.gz UQEGISWAJKXLDQ-SFHVURJKSA-N 1 1 401.894 4.341 20 5 HIBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810993 931205433 /nfs/dbraw/zinc/20/54/33/931205433.db2.gz FNDZOVLMMRDKKV-XIKOKIGWSA-N 1 1 420.307 4.190 20 5 HIBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810993 931205434 /nfs/dbraw/zinc/20/54/34/931205434.db2.gz FNDZOVLMMRDKKV-XIKOKIGWSA-N 1 1 420.307 4.190 20 5 HIBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532625937 931559140 /nfs/dbraw/zinc/55/91/40/931559140.db2.gz YBKGMTWZAHUFLN-OAHLLOKOSA-N 1 1 410.499 4.047 20 5 HIBDMO CN(C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532625937 931559143 /nfs/dbraw/zinc/55/91/43/931559143.db2.gz YBKGMTWZAHUFLN-OAHLLOKOSA-N 1 1 410.499 4.047 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3c3cccc4c3OCCO4)o2)c1 ZINC000532942932 931706166 /nfs/dbraw/zinc/70/61/66/931706166.db2.gz ZNEYBHDWTVIBEM-LJQANCHMSA-N 1 1 421.453 4.401 20 5 HIBDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533033080 931746930 /nfs/dbraw/zinc/74/69/30/931746930.db2.gz UTTAJVKARGXCNH-CYBMUJFWSA-N 1 1 412.471 4.196 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] ZINC000533047646 931751931 /nfs/dbraw/zinc/75/19/31/931751931.db2.gz QYIVTYLSKXRVEC-MRXNPFEDSA-N 1 1 412.421 4.172 20 5 HIBDMO COc1ccc([C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1 ZINC000533055305 931757013 /nfs/dbraw/zinc/75/70/13/931757013.db2.gz BQQKIKFAXZEWME-HSZRJFAPSA-N 1 1 423.444 4.085 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000533347545 931844719 /nfs/dbraw/zinc/84/47/19/931844719.db2.gz MXTQZVIDMLROLZ-TZIWHRDSSA-N 1 1 424.545 4.217 20 5 HIBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533395161 931856776 /nfs/dbraw/zinc/85/67/76/931856776.db2.gz LUDVLYBIVYEMMN-UHFFFAOYSA-N 1 1 411.550 4.350 20 5 HIBDMO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000533407167 931860240 /nfs/dbraw/zinc/86/02/40/931860240.db2.gz MNVVJZITEABFPZ-UWJYYQICSA-N 1 1 421.501 4.302 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534129287 932294019 /nfs/dbraw/zinc/29/40/19/932294019.db2.gz MWHBRYXQLHRLGJ-WMZOPIPTSA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534129287 932294025 /nfs/dbraw/zinc/29/40/25/932294025.db2.gz MWHBRYXQLHRLGJ-WMZOPIPTSA-N 1 1 405.907 4.145 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)o2)c1 ZINC000534357127 932391036 /nfs/dbraw/zinc/39/10/36/932391036.db2.gz MJRGQPBLWZAIFS-OAQYLSRUSA-N 1 1 407.470 4.065 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000534541282 932553287 /nfs/dbraw/zinc/55/32/87/932553287.db2.gz JHFPWSZQTQNHIT-QGZVFWFLSA-N 1 1 417.893 4.081 20 5 HIBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534812858 932786837 /nfs/dbraw/zinc/78/68/37/932786837.db2.gz AESDJOCTUAJGRZ-HNNXBMFYSA-N 1 1 404.430 4.024 20 5 HIBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534812858 932786843 /nfs/dbraw/zinc/78/68/43/932786843.db2.gz AESDJOCTUAJGRZ-HNNXBMFYSA-N 1 1 404.430 4.024 20 5 HIBDMO CC(C)c1oc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)nc1-c1ccccc1 ZINC000534912285 932835640 /nfs/dbraw/zinc/83/56/40/932835640.db2.gz CJBKDTOYBSZISU-LJQANCHMSA-N 1 1 422.485 4.372 20 5 HIBDMO CC(C)c1oc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)nc1-c1ccccc1 ZINC000534912285 932835642 /nfs/dbraw/zinc/83/56/42/932835642.db2.gz CJBKDTOYBSZISU-LJQANCHMSA-N 1 1 422.485 4.372 20 5 HIBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673412 933320928 /nfs/dbraw/zinc/32/09/28/933320928.db2.gz XTNUHYOUSCKNNN-BEFAXECRSA-N 1 1 405.857 4.119 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1Oc1ccc(F)cc1 ZINC000535822651 933417049 /nfs/dbraw/zinc/41/70/49/933417049.db2.gz NUWOIHUBENODSW-FXAWDEMLSA-N 1 1 404.463 4.233 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1Oc1ccc(F)cc1 ZINC000535822651 933417053 /nfs/dbraw/zinc/41/70/53/933417053.db2.gz NUWOIHUBENODSW-FXAWDEMLSA-N 1 1 404.463 4.233 20 5 HIBDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000535969648 933532847 /nfs/dbraw/zinc/53/28/47/933532847.db2.gz QIKLQHICSJCHAK-UHFFFAOYSA-N 1 1 405.454 4.096 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537646612 938345200 /nfs/dbraw/zinc/34/52/00/938345200.db2.gz DUULYDHBJRWCDM-CTEOGUNLSA-N 1 1 413.440 4.121 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537646542 938345535 /nfs/dbraw/zinc/34/55/35/938345535.db2.gz DUULYDHBJRWCDM-AFCDSYGPSA-N 1 1 413.440 4.121 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000537816658 938383561 /nfs/dbraw/zinc/38/35/61/938383561.db2.gz PAAYLRFCEVAWKW-UHFFFAOYSA-N 1 1 401.551 4.233 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000538096873 938501236 /nfs/dbraw/zinc/50/12/36/938501236.db2.gz YEYQNBRMMHLYBX-XLIONFOSSA-N 1 1 408.502 4.078 20 5 HIBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538716931 938688920 /nfs/dbraw/zinc/68/89/20/938688920.db2.gz NZWIDNNCGFKLFV-PXNSSMCTSA-N 1 1 413.518 4.097 20 5 HIBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000538728296 938694002 /nfs/dbraw/zinc/69/40/02/938694002.db2.gz KTKOGNVYVWFKIL-OLZOCXBDSA-N 1 1 409.280 4.353 20 5 HIBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538734856 938696361 /nfs/dbraw/zinc/69/63/61/938696361.db2.gz HJSOTYYDTTTXMH-HNNXBMFYSA-N 1 1 403.866 4.095 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000538736872 938697122 /nfs/dbraw/zinc/69/71/22/938697122.db2.gz LCBRRFCVJKJNMQ-HKUYNNGSSA-N 1 1 408.545 4.111 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000538736872 938697124 /nfs/dbraw/zinc/69/71/24/938697124.db2.gz LCBRRFCVJKJNMQ-HKUYNNGSSA-N 1 1 408.545 4.111 20 5 HIBDMO CCOc1cc(C[N@H+]2CC[C@](C)(CC)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538752573 938702768 /nfs/dbraw/zinc/70/27/68/938702768.db2.gz WVTFIAUEYHUIAG-QFIPXVFZSA-N 1 1 416.522 4.199 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000538766291 938705516 /nfs/dbraw/zinc/70/55/16/938705516.db2.gz JUCCNRRDQXZEIL-FXAWDEMLSA-N 1 1 401.894 4.349 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000538766291 938705518 /nfs/dbraw/zinc/70/55/18/938705518.db2.gz JUCCNRRDQXZEIL-FXAWDEMLSA-N 1 1 401.894 4.349 20 5 HIBDMO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539123852 938806593 /nfs/dbraw/zinc/80/65/93/938806593.db2.gz BQJONTMLBFJWLH-NQIIRXRSSA-N 1 1 419.884 4.190 20 5 HIBDMO CC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539123852 938806594 /nfs/dbraw/zinc/80/65/94/938806594.db2.gz BQJONTMLBFJWLH-NQIIRXRSSA-N 1 1 419.884 4.190 20 5 HIBDMO COc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539818667 938942397 /nfs/dbraw/zinc/94/23/97/938942397.db2.gz CZKXDZWQFSTWIN-UHFFFAOYSA-N 1 1 414.502 4.431 20 5 HIBDMO COc1cc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000539824165 938946464 /nfs/dbraw/zinc/94/64/64/938946464.db2.gz AMXMBPRKHVSKBJ-QGZVFWFLSA-N 1 1 405.539 4.089 20 5 HIBDMO COc1ccc(C[NH2+][C@H](C)c2ccccc2I)cc1[N+](=O)[O-] ZINC000540170009 939101718 /nfs/dbraw/zinc/10/17/18/939101718.db2.gz CDFGCMDTFOAJNC-LLVKDONJSA-N 1 1 412.227 4.059 20 5 HIBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000540480058 939269330 /nfs/dbraw/zinc/26/93/30/939269330.db2.gz GEBQXMHWFPLSES-BEFAXECRSA-N 1 1 422.441 4.118 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000540628339 939323536 /nfs/dbraw/zinc/32/35/36/939323536.db2.gz YUPVTPVUZBAWTD-INIZCTEOSA-N 1 1 408.458 4.044 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000541059763 939445716 /nfs/dbraw/zinc/44/57/16/939445716.db2.gz PMGITGJGGSLLJW-LNLFQRSKSA-N 1 1 407.555 4.190 20 5 HIBDMO CC(C)(NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000541474281 939530805 /nfs/dbraw/zinc/53/08/05/939530805.db2.gz BGQYHMVVHIDHLS-KRWDZBQOSA-N 1 1 410.518 4.453 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541702956 939609375 /nfs/dbraw/zinc/60/93/75/939609375.db2.gz AVFHHORHIWQVCF-WIYYLYMNSA-N 1 1 415.465 4.223 20 5 HIBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC[C@@H]21 ZINC000541726245 939615246 /nfs/dbraw/zinc/61/52/46/939615246.db2.gz KHOKEPWPJPAJRC-XLIONFOSSA-N 1 1 417.575 4.433 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541730512 939615783 /nfs/dbraw/zinc/61/57/83/939615783.db2.gz WKKMBXWZXMZDRI-HZPDHXFCSA-N 1 1 415.465 4.197 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000541784486 939629018 /nfs/dbraw/zinc/62/90/18/939629018.db2.gz OIVDLLDOAREGEW-UHFFFAOYSA-N 1 1 412.465 4.254 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000541786338 939629988 /nfs/dbraw/zinc/62/99/88/939629988.db2.gz LWCSOPCJPHHUGO-WBVHZDCISA-N 1 1 400.454 4.251 20 5 HIBDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000542225417 939764259 /nfs/dbraw/zinc/76/42/59/939764259.db2.gz IGYZGDOPZKPECF-UHFFFAOYSA-N 1 1 415.493 4.425 20 5 HIBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000542317028 939797741 /nfs/dbraw/zinc/79/77/41/939797741.db2.gz OLZAIRLVWGAHJH-HXUWFJFHSA-N 1 1 418.280 4.443 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000542704012 939855429 /nfs/dbraw/zinc/85/54/29/939855429.db2.gz LTMULEAGYNVRLS-QFIPXVFZSA-N 1 1 410.495 4.186 20 5 HIBDMO COc1ccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000542959644 939886095 /nfs/dbraw/zinc/88/60/95/939886095.db2.gz DNBWTVYVCFGSGQ-MRXNPFEDSA-N 1 1 404.511 4.112 20 5 HIBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000543139190 939966313 /nfs/dbraw/zinc/96/63/13/939966313.db2.gz BIFHPNBXWLKMCG-MRXNPFEDSA-N 1 1 410.392 4.018 20 5 HIBDMO CCc1ccc([C@H]([NH2+]CCNC(=O)c2cccc(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543410558 940056878 /nfs/dbraw/zinc/05/68/78/940056878.db2.gz GONWQXPYZINWEA-JOCHJYFZSA-N 1 1 407.470 4.168 20 5 HIBDMO C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543455838 940068074 /nfs/dbraw/zinc/06/80/74/940068074.db2.gz FCVQTORWWGUURV-ZIFCJYIRSA-N 1 1 413.493 4.254 20 5 HIBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2o1 ZINC000543595769 940125094 /nfs/dbraw/zinc/12/50/94/940125094.db2.gz POQCZKOYMVKEPC-GFCCVEGCSA-N 1 1 408.863 4.119 20 5 HIBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)[nH]1 ZINC000543621216 940136128 /nfs/dbraw/zinc/13/61/28/940136128.db2.gz IHTLOLVGQGSFDF-CYBMUJFWSA-N 1 1 401.854 4.314 20 5 HIBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 ZINC000543621216 940136134 /nfs/dbraw/zinc/13/61/34/940136134.db2.gz IHTLOLVGQGSFDF-CYBMUJFWSA-N 1 1 401.854 4.314 20 5 HIBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 ZINC000543621216 940136141 /nfs/dbraw/zinc/13/61/41/940136141.db2.gz IHTLOLVGQGSFDF-CYBMUJFWSA-N 1 1 401.854 4.314 20 5 HIBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n[nH]1 ZINC000543621216 940136148 /nfs/dbraw/zinc/13/61/48/940136148.db2.gz IHTLOLVGQGSFDF-CYBMUJFWSA-N 1 1 401.854 4.314 20 5 HIBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n[nH]1 ZINC000543621216 940136153 /nfs/dbraw/zinc/13/61/53/940136153.db2.gz IHTLOLVGQGSFDF-CYBMUJFWSA-N 1 1 401.854 4.314 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)o2)c(Cl)c1 ZINC000543620959 940136211 /nfs/dbraw/zinc/13/62/11/940136211.db2.gz YOJRAXGSAZYVOO-UHFFFAOYSA-N 1 1 412.877 4.221 20 5 HIBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000543636152 940144404 /nfs/dbraw/zinc/14/44/04/940144404.db2.gz WAWJAZXDCITIML-FGZHOGPDSA-N 1 1 424.476 4.487 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000543641585 940146330 /nfs/dbraw/zinc/14/63/30/940146330.db2.gz JLKYZHRMUQLSAL-AWEZNQCLSA-N 1 1 402.426 4.099 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000543644418 940147522 /nfs/dbraw/zinc/14/75/22/940147522.db2.gz JZADDGWDSDFIPW-UWJYYQICSA-N 1 1 412.465 4.252 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)c2C1 ZINC000543817753 940195687 /nfs/dbraw/zinc/19/56/87/940195687.db2.gz IFDIPOJQLRIYPL-UHFFFAOYSA-N 1 1 405.401 4.420 20 5 HIBDMO Cc1c(Br)c(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000544396289 940411510 /nfs/dbraw/zinc/41/15/10/940411510.db2.gz YEKURWYSNHIXGA-UKRRQHHQSA-N 1 1 411.344 4.152 20 5 HIBDMO C[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544557947 940478347 /nfs/dbraw/zinc/47/83/47/940478347.db2.gz KOCGBHLADBPDHA-DLBZAZTESA-N 1 1 405.514 4.341 20 5 HIBDMO C[C@@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544590610 940485489 /nfs/dbraw/zinc/48/54/89/940485489.db2.gz JJKWRTKGZPWVJX-CYBMUJFWSA-N 1 1 406.483 4.309 20 5 HIBDMO C[C@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544590611 940485654 /nfs/dbraw/zinc/48/56/54/940485654.db2.gz JJKWRTKGZPWVJX-ZDUSSCGKSA-N 1 1 406.483 4.309 20 5 HIBDMO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000544826977 940517804 /nfs/dbraw/zinc/51/78/04/940517804.db2.gz JLERBXUQNKHUJE-DXBBTUNJSA-N 1 1 400.475 4.156 20 5 HIBDMO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545830617 940619714 /nfs/dbraw/zinc/61/97/14/940619714.db2.gz BKCGRVOYKDMDIY-SJLPKXTDSA-N 1 1 413.493 4.038 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000548974384 941137071 /nfs/dbraw/zinc/13/70/71/941137071.db2.gz KCYCCUMVLWWFHN-KRWDZBQOSA-N 1 1 411.502 4.155 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1Cl ZINC000549403623 941186552 /nfs/dbraw/zinc/18/65/52/941186552.db2.gz FAMBDVCSZFBZQV-INIZCTEOSA-N 1 1 415.799 4.300 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]Cc3ccnc(OC(F)F)c3)o2)c([N+](=O)[O-])c1 ZINC000551219646 941430041 /nfs/dbraw/zinc/43/00/41/941430041.db2.gz RYJJARIEKKQEFK-UHFFFAOYSA-N 1 1 405.357 4.150 20 5 HIBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000551325534 941452160 /nfs/dbraw/zinc/45/21/60/941452160.db2.gz GENPAXLARZCLRX-IAGOWNOFSA-N 1 1 411.502 4.120 20 5 HIBDMO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552062880 941577109 /nfs/dbraw/zinc/57/71/09/941577109.db2.gz ISVKUYFDFDSOHS-HXUWFJFHSA-N 1 1 414.893 4.302 20 5 HIBDMO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552244152 941612585 /nfs/dbraw/zinc/61/25/85/941612585.db2.gz WEHVKCLPGLETHC-DENIHFKCSA-N 1 1 423.492 4.124 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)C34CCCC4)o2)c(Br)c1 ZINC000552316935 941629943 /nfs/dbraw/zinc/62/99/43/941629943.db2.gz UQACSULXSMBLHG-GOSISDBHSA-N 1 1 421.291 4.497 20 5 HIBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000552872274 941794802 /nfs/dbraw/zinc/79/48/02/941794802.db2.gz ZFCSNOYFUBGALP-FQEVSTJZSA-N 1 1 420.469 4.023 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553170373 941844003 /nfs/dbraw/zinc/84/40/03/941844003.db2.gz YCMQYJQESLCGPU-XMMPIXPASA-N 1 1 407.514 4.258 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553170372 941844079 /nfs/dbraw/zinc/84/40/79/941844079.db2.gz YCMQYJQESLCGPU-DEOSSOPVSA-N 1 1 407.514 4.258 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000553214838 941850799 /nfs/dbraw/zinc/85/07/99/941850799.db2.gz LGGPIFCCSNYNBV-SFHVURJKSA-N 1 1 411.483 4.171 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000553214837 941850888 /nfs/dbraw/zinc/85/08/88/941850888.db2.gz LGGPIFCCSNYNBV-GOSISDBHSA-N 1 1 411.483 4.171 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000555364747 942496484 /nfs/dbraw/zinc/49/64/84/942496484.db2.gz SJBVNWMZJOSORY-UHFFFAOYSA-N 1 1 405.380 4.036 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556608687 942914119 /nfs/dbraw/zinc/91/41/19/942914119.db2.gz MYUWSSCGSIACBP-PZJWPPBQSA-N 1 1 412.486 4.326 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000556926057 942969421 /nfs/dbraw/zinc/96/94/21/942969421.db2.gz VIQPFFOLCMFETP-HXUWFJFHSA-N 1 1 423.435 4.498 20 5 HIBDMO C[N@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000557624008 943236087 /nfs/dbraw/zinc/23/60/87/943236087.db2.gz ALCPJCCAEZDMAL-MEDUHNTESA-N 1 1 421.885 4.497 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000558180170 943413311 /nfs/dbraw/zinc/41/33/11/943413311.db2.gz FCHVIMAEQRMWGA-CQSZACIVSA-N 1 1 410.449 4.422 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000558779448 943659258 /nfs/dbraw/zinc/65/92/58/943659258.db2.gz LZERDHBRVMKDKK-KRWDZBQOSA-N 1 1 411.502 4.298 20 5 HIBDMO COCCO[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000559072491 943825393 /nfs/dbraw/zinc/82/53/93/943825393.db2.gz KHVULNDDROTSNN-IBGZPJMESA-N 1 1 404.438 4.154 20 5 HIBDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000559072491 943825401 /nfs/dbraw/zinc/82/54/01/943825401.db2.gz KHVULNDDROTSNN-IBGZPJMESA-N 1 1 404.438 4.154 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000559107667 943842211 /nfs/dbraw/zinc/84/22/11/943842211.db2.gz PSPFOFCUEOWQBA-KRWDZBQOSA-N 1 1 402.413 4.164 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000560526514 944242877 /nfs/dbraw/zinc/24/28/77/944242877.db2.gz GCPDIJVPWCIHGX-GOSISDBHSA-N 1 1 404.392 4.269 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000561403508 944581735 /nfs/dbraw/zinc/58/17/35/944581735.db2.gz GFIJVGMMHACVPF-AWEZNQCLSA-N 1 1 405.882 4.148 20 5 HIBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764381 944786783 /nfs/dbraw/zinc/78/67/83/944786783.db2.gz JEODSCWPBROCLU-YZZKKUAISA-N 1 1 422.529 4.009 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4cccc(F)c4F)CC3)o2)cc1 ZINC000562304617 945056609 /nfs/dbraw/zinc/05/66/09/945056609.db2.gz JMTLOJYUMKBJDU-UHFFFAOYSA-N 1 1 400.385 4.303 20 5 HIBDMO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000564611378 945704548 /nfs/dbraw/zinc/70/45/48/945704548.db2.gz YUTSPHYIGPBNAC-KRWDZBQOSA-N 1 1 414.412 4.193 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567541812 946366868 /nfs/dbraw/zinc/36/68/68/946366868.db2.gz QLXXVYVXHCQLPV-DYESRHJHSA-N 1 1 424.501 4.102 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567541812 946366877 /nfs/dbraw/zinc/36/68/77/946366877.db2.gz QLXXVYVXHCQLPV-DYESRHJHSA-N 1 1 424.501 4.102 20 5 HIBDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000568546494 946586447 /nfs/dbraw/zinc/58/64/47/946586447.db2.gz AFEAGXAGVAFMHZ-CQSZACIVSA-N 1 1 409.408 4.139 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCOCC1CCC1)c1ccccc1 ZINC000572778141 948008691 /nfs/dbraw/zinc/00/86/91/948008691.db2.gz VOAFSYREBLAZAG-FQEVSTJZSA-N 1 1 417.893 4.334 20 5 HIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573371702 948171483 /nfs/dbraw/zinc/17/14/83/948171483.db2.gz DFZVNZDKEQJMIG-HSZRJFAPSA-N 1 1 408.502 4.287 20 5 HIBDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000573762607 948292558 /nfs/dbraw/zinc/29/25/58/948292558.db2.gz SLIMXCZEFUOUGL-UHFFFAOYSA-N 1 1 423.498 4.476 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000574544747 948467513 /nfs/dbraw/zinc/46/75/13/948467513.db2.gz BACVGUIJHJELHM-DENIHFKCSA-N 1 1 424.545 4.079 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164626069 719066051 /nfs/dbraw/zinc/06/60/51/719066051.db2.gz NZWGMGHPNLCRGS-NVXWUHKLSA-N 1 1 422.863 4.289 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)cc1 ZINC001164629057 719096923 /nfs/dbraw/zinc/09/69/23/719096923.db2.gz QPUUKHWHGQFKBL-NFBKMPQASA-N 1 1 415.497 4.153 20 5 HIBDMO Clc1ccc2ccc3ccc(N4C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C4)nc3c2n1 ZINC001164783610 721412289 /nfs/dbraw/zinc/41/22/89/721412289.db2.gz JBBBEKZONUYWIN-IRXDYDNUSA-N 1 1 421.957 4.461 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]21 ZINC001165028281 721810683 /nfs/dbraw/zinc/81/06/83/721810683.db2.gz XDQJSHKZBIZYNJ-NQSCKRDGSA-N 1 1 417.513 4.275 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC001165027761 721818332 /nfs/dbraw/zinc/81/83/32/721818332.db2.gz VWSMHDJHBOELSB-CZTZKLFOSA-N 1 1 417.513 4.275 20 5 HIBDMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2c1 ZINC000007926658 845448877 /nfs/dbraw/zinc/44/88/77/845448877.db2.gz AUNVPRZGYUIAKZ-UHFFFAOYSA-N 1 1 413.861 4.481 20 5 HIBDMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2c1 ZINC000007926658 845448885 /nfs/dbraw/zinc/44/88/85/845448885.db2.gz AUNVPRZGYUIAKZ-UHFFFAOYSA-N 1 1 413.861 4.481 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000010139840 845623749 /nfs/dbraw/zinc/62/37/49/845623749.db2.gz VAWYBNXCHHQFTO-UHFFFAOYSA-N 1 1 422.485 4.293 20 5 HIBDMO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])ccc2c1 ZINC000015029627 846001680 /nfs/dbraw/zinc/00/16/80/846001680.db2.gz ZKPXFYUDLPRANA-HNNXBMFYSA-N 1 1 423.469 4.224 20 5 HIBDMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])ccc2c1 ZINC000015029627 846001685 /nfs/dbraw/zinc/00/16/85/846001685.db2.gz ZKPXFYUDLPRANA-HNNXBMFYSA-N 1 1 423.469 4.224 20 5 HIBDMO CCOc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000026454305 847151554 /nfs/dbraw/zinc/15/15/54/847151554.db2.gz LDSYCVCBKUFYAG-CYBMUJFWSA-N 1 1 423.416 4.054 20 5 HIBDMO CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000026454305 847151562 /nfs/dbraw/zinc/15/15/62/847151562.db2.gz LDSYCVCBKUFYAG-CYBMUJFWSA-N 1 1 423.416 4.054 20 5 HIBDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027557149 847319106 /nfs/dbraw/zinc/31/91/06/847319106.db2.gz YTCBHYKUBRNEIB-LLVKDONJSA-N 1 1 410.243 4.128 20 5 HIBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027557149 847319112 /nfs/dbraw/zinc/31/91/12/847319112.db2.gz YTCBHYKUBRNEIB-LLVKDONJSA-N 1 1 410.243 4.128 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000029174345 847520943 /nfs/dbraw/zinc/52/09/43/847520943.db2.gz VYLUDGVNDCALAY-OAQYLSRUSA-N 1 1 413.543 4.129 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000030152815 847682683 /nfs/dbraw/zinc/68/26/83/847682683.db2.gz TWKYONDORCUVJG-KSSFIOAISA-N 1 1 413.474 4.313 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000051132546 849434752 /nfs/dbraw/zinc/43/47/52/849434752.db2.gz BMZQABQADFUMLT-LQBOVUBWSA-N 1 1 411.502 4.330 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133713 849435905 /nfs/dbraw/zinc/43/59/05/849435905.db2.gz LDXXQMSAIPFYAA-WMZHIEFXSA-N 1 1 411.502 4.332 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000060425942 851095459 /nfs/dbraw/zinc/09/54/59/851095459.db2.gz OORLVOHUNGBYFS-QGZVFWFLSA-N 1 1 413.543 4.378 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437037244 862226000 /nfs/dbraw/zinc/22/60/00/862226000.db2.gz BMNDKSMPLXPTQZ-HKUYNNGSSA-N 1 1 413.543 4.056 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000063471080 851698060 /nfs/dbraw/zinc/69/80/60/851698060.db2.gz FUTHZMXUOVBSEC-UHFFFAOYSA-N 1 1 411.408 4.499 20 5 HIBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000063725624 851749182 /nfs/dbraw/zinc/74/91/82/851749182.db2.gz XSRYTNYGKPSQCL-UHFFFAOYSA-N 1 1 410.518 4.153 20 5 HIBDMO COc1cc(OC)c(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl ZINC000064350138 851876564 /nfs/dbraw/zinc/87/65/64/851876564.db2.gz ZOYHRWYGQUQKNF-UHFFFAOYSA-N 1 1 421.881 4.115 20 5 HIBDMO COc1cc(OC)c(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl ZINC000064350138 851876569 /nfs/dbraw/zinc/87/65/69/851876569.db2.gz ZOYHRWYGQUQKNF-UHFFFAOYSA-N 1 1 421.881 4.115 20 5 HIBDMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350230 851876869 /nfs/dbraw/zinc/87/68/69/851876869.db2.gz DJWUBQWEJMXBDK-UHFFFAOYSA-N 1 1 410.518 4.353 20 5 HIBDMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350230 851876872 /nfs/dbraw/zinc/87/68/72/851876872.db2.gz DJWUBQWEJMXBDK-UHFFFAOYSA-N 1 1 410.518 4.353 20 5 HIBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000071955574 852444811 /nfs/dbraw/zinc/44/48/11/852444811.db2.gz NPFBPFBLLOTIBR-UHFFFAOYSA-N 1 1 408.527 4.079 20 5 HIBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000216557906 853856168 /nfs/dbraw/zinc/85/61/68/853856168.db2.gz BZIMJAFDXVBONW-CQSZACIVSA-N 1 1 400.385 4.303 20 5 HIBDMO CCC[N@@H+]1CC[C@H](CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236817262 853926560 /nfs/dbraw/zinc/92/65/60/853926560.db2.gz ITIRUWOSARGFLP-LJQANCHMSA-N 1 1 419.529 4.269 20 5 HIBDMO CCC[N@H+]1CC[C@H](CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236817262 853926564 /nfs/dbraw/zinc/92/65/64/853926564.db2.gz ITIRUWOSARGFLP-LJQANCHMSA-N 1 1 419.529 4.269 20 5 HIBDMO COc1ccc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237181049 853977262 /nfs/dbraw/zinc/97/72/62/853977262.db2.gz XKLOXFNILXXWTO-FPOVZHCZSA-N 1 1 413.518 4.145 20 5 HIBDMO COc1ccc(C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000237457554 854037207 /nfs/dbraw/zinc/03/72/07/854037207.db2.gz IFYUPCWUZHLMAN-UHFFFAOYSA-N 1 1 408.454 4.481 20 5 HIBDMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000237702330 854078706 /nfs/dbraw/zinc/07/87/06/854078706.db2.gz ILHJOFDXFASIGK-UHFFFAOYSA-N 1 1 415.291 4.450 20 5 HIBDMO Cn1cc(CNCc2ccccc2C[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237771733 854093689 /nfs/dbraw/zinc/09/36/89/854093689.db2.gz WPTMRPXCWUCPPR-UHFFFAOYSA-N 1 1 419.529 4.271 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301596541 854427019 /nfs/dbraw/zinc/42/70/19/854427019.db2.gz SLHQHILXVLNSHH-XMSQKQJNSA-N 1 1 422.529 4.153 20 5 HIBDMO CCc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301763380 854461623 /nfs/dbraw/zinc/46/16/23/854461623.db2.gz GNRJSVPWNVTYSC-DYESRHJHSA-N 1 1 407.518 4.067 20 5 HIBDMO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)nc1-c1ccccc1 ZINC000301890728 854486478 /nfs/dbraw/zinc/48/64/78/854486478.db2.gz UKZOWMDZQPOHJF-UHFFFAOYSA-N 1 1 404.470 4.101 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000302909577 854676491 /nfs/dbraw/zinc/67/64/91/854676491.db2.gz IZHICOOLJATGNY-MRXNPFEDSA-N 1 1 408.458 4.387 20 5 HIBDMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000303373706 854898361 /nfs/dbraw/zinc/89/83/61/854898361.db2.gz UBCSTZMISCYTEB-UHFFFAOYSA-N 1 1 408.285 4.296 20 5 HIBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000303766310 855184726 /nfs/dbraw/zinc/18/47/26/855184726.db2.gz PRTIITKQHGVZRV-LJQANCHMSA-N 1 1 417.893 4.453 20 5 HIBDMO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000303788746 855198649 /nfs/dbraw/zinc/19/86/49/855198649.db2.gz UPHQNUJRUCUYJK-PXNSSMCTSA-N 1 1 411.502 4.119 20 5 HIBDMO C[C@H]1C[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1Cc1ccccc1 ZINC000303805254 855209193 /nfs/dbraw/zinc/20/91/93/855209193.db2.gz XSACQITYOSLJID-UWJYYQICSA-N 1 1 421.501 4.130 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000409755235 855637566 /nfs/dbraw/zinc/63/75/66/855637566.db2.gz QFQHCNDMTCBAAC-UHFFFAOYSA-N 1 1 424.835 4.313 20 5 HIBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)C[C@@H](C)O1 ZINC000427594743 856881850 /nfs/dbraw/zinc/88/18/50/856881850.db2.gz RGIBUTVSKIQCLX-QZTJIDSGSA-N 1 1 423.513 4.009 20 5 HIBDMO Cc1cccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C ZINC000428706161 857303404 /nfs/dbraw/zinc/30/34/04/857303404.db2.gz DXLNPRBAJJZPEP-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO Cc1cccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C ZINC000428706161 857303421 /nfs/dbraw/zinc/30/34/21/857303421.db2.gz DXLNPRBAJJZPEP-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430202877 858079885 /nfs/dbraw/zinc/07/98/85/858079885.db2.gz YSTBHEKYXAOEEP-LBPRGKRZSA-N 1 1 408.442 4.120 20 5 HIBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CCCO1 ZINC000467554089 881375608 /nfs/dbraw/zinc/37/56/08/881375608.db2.gz NVYXZWFGBCEKPW-HXUWFJFHSA-N 1 1 400.475 4.183 20 5 HIBDMO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000467560150 881382120 /nfs/dbraw/zinc/38/21/20/881382120.db2.gz ONQPJQLOVDWATD-LJQANCHMSA-N 1 1 400.475 4.183 20 5 HIBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000467560150 881382142 /nfs/dbraw/zinc/38/21/42/881382142.db2.gz ONQPJQLOVDWATD-LJQANCHMSA-N 1 1 400.475 4.183 20 5 HIBDMO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435271614 860711319 /nfs/dbraw/zinc/71/13/19/860711319.db2.gz XXXCTKSRCLDGNW-HXUWFJFHSA-N 1 1 419.485 4.107 20 5 HIBDMO CCc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435381618 860778276 /nfs/dbraw/zinc/77/82/76/860778276.db2.gz VBNDCPVFEXKJJU-HXUWFJFHSA-N 1 1 419.485 4.053 20 5 HIBDMO CCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000435720704 861004565 /nfs/dbraw/zinc/00/45/65/861004565.db2.gz ZXQJEZQALRSCLG-LJQANCHMSA-N 1 1 411.502 4.120 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437913704 863290737 /nfs/dbraw/zinc/29/07/37/863290737.db2.gz HVRNQOWOHZUWQV-HDICACEKSA-N 1 1 402.539 4.027 20 5 HIBDMO CC(C)(CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000438008455 863368701 /nfs/dbraw/zinc/36/87/01/863368701.db2.gz SBTLOJJAQLQNRF-UHFFFAOYSA-N 1 1 422.529 4.106 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000438319326 863798725 /nfs/dbraw/zinc/79/87/25/863798725.db2.gz GZVSCQVWXMAILB-OAQYLSRUSA-N 1 1 400.523 4.066 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1O ZINC000438337318 863810729 /nfs/dbraw/zinc/81/07/29/863810729.db2.gz XVJMLPPYPKFNBW-QGZVFWFLSA-N 1 1 409.280 4.210 20 5 HIBDMO COCCO[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000438550386 863979654 /nfs/dbraw/zinc/97/96/54/863979654.db2.gz ANZXHVMLOSJZKP-INIZCTEOSA-N 1 1 406.866 4.278 20 5 HIBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000438550386 863979665 /nfs/dbraw/zinc/97/96/65/863979665.db2.gz ANZXHVMLOSJZKP-INIZCTEOSA-N 1 1 406.866 4.278 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438953404 864425637 /nfs/dbraw/zinc/42/56/37/864425637.db2.gz OLWONKGMQGJLGS-WBVHZDCISA-N 1 1 401.894 4.197 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000438955837 864426658 /nfs/dbraw/zinc/42/66/58/864426658.db2.gz VCNFTOKIPAXPAU-OAQYLSRUSA-N 1 1 401.894 4.341 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000439294611 864720379 /nfs/dbraw/zinc/72/03/79/864720379.db2.gz LSWZHQUXTJBWAW-DHIUTWEWSA-N 1 1 423.513 4.474 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000439889780 865202182 /nfs/dbraw/zinc/20/21/82/865202182.db2.gz WWPZCPBBVUFUCG-CQSZACIVSA-N 1 1 409.446 4.370 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441061798 866143183 /nfs/dbraw/zinc/14/31/83/866143183.db2.gz JROSDXGRTXJWOS-LLVKDONJSA-N 1 1 401.410 4.458 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441061798 866143217 /nfs/dbraw/zinc/14/32/17/866143217.db2.gz JROSDXGRTXJWOS-LLVKDONJSA-N 1 1 401.410 4.458 20 5 HIBDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441270514 866345933 /nfs/dbraw/zinc/34/59/33/866345933.db2.gz UTHNHAUSSAGTHC-UHFFFAOYSA-N 1 1 403.866 4.250 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295578 866369742 /nfs/dbraw/zinc/36/97/42/866369742.db2.gz KQKJDMRWQXMKIQ-VIZSFHNOSA-N 1 1 423.513 4.332 20 5 HIBDMO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000441306804 866378822 /nfs/dbraw/zinc/37/88/22/866378822.db2.gz KGCKIIZPIMVBEH-LJQANCHMSA-N 1 1 417.853 4.031 20 5 HIBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000443941340 868477709 /nfs/dbraw/zinc/47/77/09/868477709.db2.gz ALEGJVAXIGHGTR-LBPRGKRZSA-N 1 1 416.279 4.023 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000443961507 868495287 /nfs/dbraw/zinc/49/52/87/868495287.db2.gz PWTXYUNEIGCWNZ-HNAYVOBHSA-N 1 1 402.520 4.478 20 5 HIBDMO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444664605 868944489 /nfs/dbraw/zinc/94/44/89/868944489.db2.gz MSZCIRWKUSYZMX-VXGBXAGGSA-N 1 1 403.389 4.017 20 5 HIBDMO Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444707471 868968113 /nfs/dbraw/zinc/96/81/13/868968113.db2.gz QEQSTCKFSIVULR-CYBMUJFWSA-N 1 1 406.280 4.125 20 5 HIBDMO Cc1cc(Br)ccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444707471 868968124 /nfs/dbraw/zinc/96/81/24/868968124.db2.gz QEQSTCKFSIVULR-CYBMUJFWSA-N 1 1 406.280 4.125 20 5 HIBDMO Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)oc21 ZINC000444762640 868991022 /nfs/dbraw/zinc/99/10/22/868991022.db2.gz AUCKWEDZKCMQNI-HNNXBMFYSA-N 1 1 408.458 4.251 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444857823 869059875 /nfs/dbraw/zinc/05/98/75/869059875.db2.gz LVICJIKDOQXJCM-UHFFFAOYSA-N 1 1 413.521 4.452 20 5 HIBDMO CC1CCC([NH+]2CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC2)CC1 ZINC000444999092 869154247 /nfs/dbraw/zinc/15/42/47/869154247.db2.gz UGSBSJZYMUMIMX-UHFFFAOYSA-N 1 1 403.526 4.018 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445004414 869159156 /nfs/dbraw/zinc/15/91/56/869159156.db2.gz GUOWPXLUCYPMFZ-IBGZPJMESA-N 1 1 411.505 4.076 20 5 HIBDMO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[NH+](CC2CCCCC2)CC1 ZINC000445189577 869266125 /nfs/dbraw/zinc/26/61/25/869266125.db2.gz VPDVVOZINAZDHX-UHFFFAOYSA-N 1 1 403.526 4.019 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc([C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)s1 ZINC000445480452 869553203 /nfs/dbraw/zinc/55/32/03/869553203.db2.gz ZBAQBLGCYWGZMP-KRWDZBQOSA-N 1 1 424.404 4.412 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000446789482 870708616 /nfs/dbraw/zinc/70/86/16/870708616.db2.gz GANLBKQAOCOMRX-UHFFFAOYSA-N 1 1 413.477 4.068 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(OCc4ccc(F)cc4)c3)nc2c1 ZINC000446830061 870746024 /nfs/dbraw/zinc/74/60/24/870746024.db2.gz ODZPSCITSXKBCL-UHFFFAOYSA-N 1 1 406.417 4.479 20 5 HIBDMO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cc1OC ZINC000446834263 870751435 /nfs/dbraw/zinc/75/14/35/870751435.db2.gz JYISROIIDPBNBZ-UHFFFAOYSA-N 1 1 413.474 4.226 20 5 HIBDMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000468477978 882441186 /nfs/dbraw/zinc/44/11/86/882441186.db2.gz JMZBQGBLPZLWRY-OAHLLOKOSA-N 1 1 403.504 4.272 20 5 HIBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000468477978 882441208 /nfs/dbraw/zinc/44/12/08/882441208.db2.gz JMZBQGBLPZLWRY-OAHLLOKOSA-N 1 1 403.504 4.272 20 5 HIBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000446890753 870809609 /nfs/dbraw/zinc/80/96/09/870809609.db2.gz OYKSRFHJMODWDL-FQEVSTJZSA-N 1 1 403.504 4.130 20 5 HIBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357147 872304504 /nfs/dbraw/zinc/30/45/04/872304504.db2.gz VVQVZWYJWKWQOU-ARGWCVDVSA-N 1 1 406.866 4.277 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448650 874507535 /nfs/dbraw/zinc/50/75/35/874507535.db2.gz KVYCOEQGAGSJPT-PKOBYXMFSA-N 1 1 421.522 4.404 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000461470950 874527620 /nfs/dbraw/zinc/52/76/20/874527620.db2.gz KKVITTFQAKGWRH-GOSISDBHSA-N 1 1 406.486 4.108 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462617199 875729832 /nfs/dbraw/zinc/72/98/32/875729832.db2.gz NHLBDJVVWFIPRX-ZEYPLWLESA-N 1 1 409.530 4.190 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)c1C ZINC000462766778 875827653 /nfs/dbraw/zinc/82/76/53/875827653.db2.gz KNLPKNZRUBOBCS-UHFFFAOYSA-N 1 1 415.247 4.412 20 5 HIBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000462859170 875892697 /nfs/dbraw/zinc/89/26/97/875892697.db2.gz CJPBAHQWWQZNNP-FXAWDEMLSA-N 1 1 410.518 4.322 20 5 HIBDMO COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462873890 875904135 /nfs/dbraw/zinc/90/41/35/875904135.db2.gz JZEIMFBDBFLBTM-HXUWFJFHSA-N 1 1 400.475 4.182 20 5 HIBDMO COc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000462923060 875951465 /nfs/dbraw/zinc/95/14/65/875951465.db2.gz KCGYBRKVJQGOFS-UHFFFAOYSA-N 1 1 409.408 4.335 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462993589 876008050 /nfs/dbraw/zinc/00/80/50/876008050.db2.gz SWCWZQXXYGORQL-CEWLAPEOSA-N 1 1 401.551 4.277 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161219 876215368 /nfs/dbraw/zinc/21/53/68/876215368.db2.gz MXFZTKUMMICTHI-CZUORRHYSA-N 1 1 407.392 4.179 20 5 HIBDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000468998846 883065048 /nfs/dbraw/zinc/06/50/48/883065048.db2.gz NYNOXPOKNSAIEZ-NEPJUHHUSA-N 1 1 422.279 4.044 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463825717 876941727 /nfs/dbraw/zinc/94/17/27/876941727.db2.gz JKOLWDMANPZVJT-HUUCEWRRSA-N 1 1 413.440 4.340 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000463959336 877083697 /nfs/dbraw/zinc/08/36/97/877083697.db2.gz UGMBHZVRNGZQCV-UHFFFAOYSA-N 1 1 400.454 4.091 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000463959336 877083709 /nfs/dbraw/zinc/08/37/09/877083709.db2.gz UGMBHZVRNGZQCV-UHFFFAOYSA-N 1 1 400.454 4.091 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464763669 878005825 /nfs/dbraw/zinc/00/58/25/878005825.db2.gz RIZAIKWBBQICHI-MRXNPFEDSA-N 1 1 413.499 4.007 20 5 HIBDMO Cc1ccc(CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]2CCCO2)cc1 ZINC000464777809 878022212 /nfs/dbraw/zinc/02/22/12/878022212.db2.gz PIBKUZFOQUMJRZ-OAQYLSRUSA-N 1 1 422.485 4.177 20 5 HIBDMO Cc1ccc(CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]2CCCO2)cc1 ZINC000464777809 878022229 /nfs/dbraw/zinc/02/22/29/878022229.db2.gz PIBKUZFOQUMJRZ-OAQYLSRUSA-N 1 1 422.485 4.177 20 5 HIBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC000464777701 878022500 /nfs/dbraw/zinc/02/25/00/878022500.db2.gz NBTPUWMBCVQPGY-UHFFFAOYSA-N 1 1 404.850 4.063 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(CCc2ccccn2)CC1 ZINC000512370313 921111063 /nfs/dbraw/zinc/11/10/63/921111063.db2.gz OWYLGRZARSQYHX-UHFFFAOYSA-N 1 1 420.513 4.389 20 5 HIBDMO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512370313 921111072 /nfs/dbraw/zinc/11/10/72/921111072.db2.gz OWYLGRZARSQYHX-UHFFFAOYSA-N 1 1 420.513 4.389 20 5 HIBDMO Cc1c(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000466010005 879689988 /nfs/dbraw/zinc/68/99/88/879689988.db2.gz LUAUQYPBKFZKQK-UHFFFAOYSA-N 1 1 408.458 4.450 20 5 HIBDMO Cc1c(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000466010005 879689999 /nfs/dbraw/zinc/68/99/99/879689999.db2.gz LUAUQYPBKFZKQK-UHFFFAOYSA-N 1 1 408.458 4.450 20 5 HIBDMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000466814696 880588940 /nfs/dbraw/zinc/58/89/40/880588940.db2.gz SCIXFUAMPHVQIU-CYBMUJFWSA-N 1 1 405.907 4.081 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br ZINC000467014581 880818364 /nfs/dbraw/zinc/81/83/64/880818364.db2.gz OUSDCVRAFKXBSR-UHFFFAOYSA-N 1 1 418.247 4.417 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1Br ZINC000469499776 883742993 /nfs/dbraw/zinc/74/29/93/883742993.db2.gz OLMSDOYRNLVBDH-UHFFFAOYSA-N 1 1 417.263 4.153 20 5 HIBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470127522 884389738 /nfs/dbraw/zinc/38/97/38/884389738.db2.gz COPCRSKSARJWRI-XIKOKIGWSA-N 1 1 424.835 4.341 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000470163262 884437524 /nfs/dbraw/zinc/43/75/24/884437524.db2.gz KQDVOJPSYDJRFC-LJQANCHMSA-N 1 1 401.532 4.203 20 5 HIBDMO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000470610680 885036632 /nfs/dbraw/zinc/03/66/32/885036632.db2.gz FILCPJXYLHFKAD-GHTZIAJQSA-N 1 1 410.518 4.004 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036357 885545036 /nfs/dbraw/zinc/54/50/36/885545036.db2.gz ZFUMEDMQNPLGSP-AVRDEDQJSA-N 1 1 424.501 4.102 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036357 885545042 /nfs/dbraw/zinc/54/50/42/885545042.db2.gz ZFUMEDMQNPLGSP-AVRDEDQJSA-N 1 1 424.501 4.102 20 5 HIBDMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000471038015 885547193 /nfs/dbraw/zinc/54/71/93/885547193.db2.gz IOJHSTACSUYUOU-AUSIDOKSSA-N 1 1 424.545 4.247 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000471947078 886748878 /nfs/dbraw/zinc/74/88/78/886748878.db2.gz PUMYLOTZXURMAV-RDJZCZTQSA-N 1 1 408.380 4.181 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000471988154 886815288 /nfs/dbraw/zinc/81/52/88/886815288.db2.gz HIGFNPTUFQAJAJ-DENIHFKCSA-N 1 1 424.501 4.320 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000472512906 887382471 /nfs/dbraw/zinc/38/24/71/887382471.db2.gz GBDXBRUWGLTWTL-BRLLKYFNSA-N 1 1 407.470 4.227 20 5 HIBDMO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)n2CC ZINC000472603143 887474535 /nfs/dbraw/zinc/47/45/35/887474535.db2.gz KXLRIRHGMVWSNC-HNNXBMFYSA-N 1 1 410.474 4.300 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473156399 887936042 /nfs/dbraw/zinc/93/60/42/887936042.db2.gz CDRVCICZLDYMMM-UHFFFAOYSA-N 1 1 401.413 4.299 20 5 HIBDMO Cc1cc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000473772791 888572370 /nfs/dbraw/zinc/57/23/70/888572370.db2.gz AQNNXBTZKSXJBZ-UHFFFAOYSA-N 1 1 408.458 4.450 20 5 HIBDMO Cc1cc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000473772791 888572376 /nfs/dbraw/zinc/57/23/76/888572376.db2.gz AQNNXBTZKSXJBZ-UHFFFAOYSA-N 1 1 408.458 4.450 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000474344294 889220222 /nfs/dbraw/zinc/22/02/22/889220222.db2.gz IHEMNSFAWNDQSL-QHCPKHFHSA-N 1 1 424.428 4.165 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000475433196 890352801 /nfs/dbraw/zinc/35/28/01/890352801.db2.gz HRJGPRTZMDCIHY-UHFFFAOYSA-N 1 1 416.861 4.089 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000475433196 890352815 /nfs/dbraw/zinc/35/28/15/890352815.db2.gz HRJGPRTZMDCIHY-UHFFFAOYSA-N 1 1 416.861 4.089 20 5 HIBDMO COc1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000475623973 890559309 /nfs/dbraw/zinc/55/93/09/890559309.db2.gz IYZKEDTYTOIRJF-AWEZNQCLSA-N 1 1 404.772 4.099 20 5 HIBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccccc1 ZINC000475637695 890579243 /nfs/dbraw/zinc/57/92/43/890579243.db2.gz AOBGWXPSUYRCPA-LJQANCHMSA-N 1 1 414.506 4.043 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475702046 890640381 /nfs/dbraw/zinc/64/03/81/890640381.db2.gz RMUSZGJNTQOGQH-SFHVURJKSA-N 1 1 402.422 4.013 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475702046 890640383 /nfs/dbraw/zinc/64/03/83/890640383.db2.gz RMUSZGJNTQOGQH-SFHVURJKSA-N 1 1 402.422 4.013 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000477589674 892662858 /nfs/dbraw/zinc/66/28/58/892662858.db2.gz JYOUWDDMQFSTQH-SFHVURJKSA-N 1 1 401.551 4.376 20 5 HIBDMO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000477693890 892812939 /nfs/dbraw/zinc/81/29/39/892812939.db2.gz OGWBSFPTBVTUST-PZJWPPBQSA-N 1 1 423.513 4.039 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000478938884 894220298 /nfs/dbraw/zinc/22/02/98/894220298.db2.gz XBRHLHOERAPVDU-QGZVFWFLSA-N 1 1 407.923 4.393 20 5 HIBDMO C[C@@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479442756 894758323 /nfs/dbraw/zinc/75/83/23/894758323.db2.gz YFTDBNBGIAJOID-ZWKOTPCHSA-N 1 1 402.539 4.342 20 5 HIBDMO Cc1c(CNC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479727423 895025592 /nfs/dbraw/zinc/02/55/92/895025592.db2.gz BSFJBLWAXXECDU-FXAWDEMLSA-N 1 1 410.518 4.003 20 5 HIBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000479958672 895311322 /nfs/dbraw/zinc/31/13/22/895311322.db2.gz OQLHGEHGDITTPQ-KRWDZBQOSA-N 1 1 413.543 4.468 20 5 HIBDMO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000479989967 895344206 /nfs/dbraw/zinc/34/42/06/895344206.db2.gz UBSOGUZCANJKHT-UHFFFAOYSA-N 1 1 413.405 4.228 20 5 HIBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000480055191 895402049 /nfs/dbraw/zinc/40/20/49/895402049.db2.gz FGVRSMNDLIFJNX-RXVVDRJESA-N 1 1 410.518 4.270 20 5 HIBDMO CCC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000481406289 896812565 /nfs/dbraw/zinc/81/25/65/896812565.db2.gz QBVDMUDKYOKSNE-LJQANCHMSA-N 1 1 419.547 4.303 20 5 HIBDMO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000481545917 896906649 /nfs/dbraw/zinc/90/66/49/896906649.db2.gz RUSJYFXKQLAYJM-KZULUSFZSA-N 1 1 402.838 4.164 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000481684570 897067621 /nfs/dbraw/zinc/06/76/21/897067621.db2.gz KOMUJYSZYQPDGV-SFHVURJKSA-N 1 1 410.518 4.088 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481693551 897079596 /nfs/dbraw/zinc/07/95/96/897079596.db2.gz SVMMCJIEVSMWSK-QRQCRPRQSA-N 1 1 406.442 4.227 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481693551 897079605 /nfs/dbraw/zinc/07/96/05/897079605.db2.gz SVMMCJIEVSMWSK-QRQCRPRQSA-N 1 1 406.442 4.227 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC(F)F ZINC000481706776 897097171 /nfs/dbraw/zinc/09/71/71/897097171.db2.gz KZAOCUAJEBCZIS-OAQYLSRUSA-N 1 1 420.412 4.226 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC(F)F ZINC000481706776 897097178 /nfs/dbraw/zinc/09/71/78/897097178.db2.gz KZAOCUAJEBCZIS-OAQYLSRUSA-N 1 1 420.412 4.226 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000505519355 914210186 /nfs/dbraw/zinc/21/01/86/914210186.db2.gz FHACMTCSXWUUSO-OAQYLSRUSA-N 1 1 405.564 4.291 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4cccc(Br)c4)CCC3)nc2c1 ZINC000482682637 898283440 /nfs/dbraw/zinc/28/34/40/898283440.db2.gz MIMBAGIKIBRBIL-UHFFFAOYSA-N 1 1 401.264 4.403 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482762958 898369350 /nfs/dbraw/zinc/36/93/50/898369350.db2.gz ZVJLPPUVZGNPGP-GHTZIAJQSA-N 1 1 424.501 4.122 20 5 HIBDMO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482793291 898400259 /nfs/dbraw/zinc/40/02/59/898400259.db2.gz RIDUBTYREWYOIY-FPOVZHCZSA-N 1 1 408.502 4.422 20 5 HIBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000483438383 899071085 /nfs/dbraw/zinc/07/10/85/899071085.db2.gz MRRQWNUUALJTQL-QGZVFWFLSA-N 1 1 415.877 4.237 20 5 HIBDMO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483593685 899244436 /nfs/dbraw/zinc/24/44/36/899244436.db2.gz ONFNTPJPEBBQAU-NFBKMPQASA-N 1 1 421.541 4.386 20 5 HIBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483596856 899247509 /nfs/dbraw/zinc/24/75/09/899247509.db2.gz WCNVLEAJQDTTSN-CTNGQTDRSA-N 1 1 418.497 4.203 20 5 HIBDMO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C2CC2)ccc1OC(F)F ZINC000485775478 901031946 /nfs/dbraw/zinc/03/19/46/901031946.db2.gz UVPHYRKOFODUBM-UHFFFAOYSA-N 1 1 408.401 4.378 20 5 HIBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C2CC2)ccc1OC(F)F ZINC000485775478 901031958 /nfs/dbraw/zinc/03/19/58/901031958.db2.gz UVPHYRKOFODUBM-UHFFFAOYSA-N 1 1 408.401 4.378 20 5 HIBDMO CSc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225367 901408670 /nfs/dbraw/zinc/40/86/70/901408670.db2.gz MNQNYHKSPTZLHO-DYVFJYSZSA-N 1 1 405.545 4.191 20 5 HIBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486450960 901610486 /nfs/dbraw/zinc/61/04/86/901610486.db2.gz LRWKAVPNEYYLBY-CXAJTEIHSA-N 1 1 417.469 4.107 20 5 HIBDMO CSc1cccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000486485954 901642552 /nfs/dbraw/zinc/64/25/52/901642552.db2.gz KYKUQTXAAHLMMV-INIZCTEOSA-N 1 1 413.543 4.479 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486822812 901876230 /nfs/dbraw/zinc/87/62/30/901876230.db2.gz OVXIZXYSBXZSMI-JTUHZDRVSA-N 1 1 419.485 4.463 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487847065 902405088 /nfs/dbraw/zinc/40/50/88/902405088.db2.gz ZLPORBVAYRGVEI-WFXMLNOXSA-N 1 1 410.518 4.174 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000488055881 902569153 /nfs/dbraw/zinc/56/91/53/902569153.db2.gz JJESYYRJJZHKAP-KSZLIROESA-N 1 1 411.502 4.003 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000488055881 902569163 /nfs/dbraw/zinc/56/91/63/902569163.db2.gz JJESYYRJJZHKAP-KSZLIROESA-N 1 1 411.502 4.003 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506021466 914699758 /nfs/dbraw/zinc/69/97/58/914699758.db2.gz JPXKKILJJOVQLX-OAHLLOKOSA-N 1 1 413.396 4.220 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506021466 914699762 /nfs/dbraw/zinc/69/97/62/914699762.db2.gz JPXKKILJJOVQLX-OAHLLOKOSA-N 1 1 413.396 4.220 20 5 HIBDMO C[C@@H](OC[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451349 904017669 /nfs/dbraw/zinc/01/76/69/904017669.db2.gz GMGJRHBEABEBJX-VFNWGFHPSA-N 1 1 404.894 4.351 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)cc1[N+](=O)[O-] ZINC000492357928 904838821 /nfs/dbraw/zinc/83/88/21/904838821.db2.gz PUAIVIOKOXJHRV-UHFFFAOYSA-N 1 1 424.428 4.243 20 5 HIBDMO CCOc1cc(C[NH+]2CCC(Oc3c(OC)cccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000492460740 904852779 /nfs/dbraw/zinc/85/27/79/904852779.db2.gz JDPAZQBSJLPFEX-UHFFFAOYSA-N 1 1 416.474 4.054 20 5 HIBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)c2ccccc2)c1 ZINC000493246046 905065695 /nfs/dbraw/zinc/06/56/95/905065695.db2.gz GTEFDEMRVJRLAQ-DEOSSOPVSA-N 1 1 419.481 4.427 20 5 HIBDMO C[C@H]1[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@H+]1Cc1ccccc1 ZINC000494059020 905396839 /nfs/dbraw/zinc/39/68/39/905396839.db2.gz HOOHEEWNTOWCOQ-HTAPYJJXSA-N 1 1 411.505 4.074 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494128891 905472862 /nfs/dbraw/zinc/47/28/62/905472862.db2.gz ULTNCKUPJDJTIV-VQIMIIECSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494128891 905472872 /nfs/dbraw/zinc/47/28/72/905472872.db2.gz ULTNCKUPJDJTIV-VQIMIIECSA-N 1 1 423.847 4.480 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000494164758 905501686 /nfs/dbraw/zinc/50/16/86/905501686.db2.gz RKZMAYQHWVJJAT-UYAOXDASSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000494164758 905501697 /nfs/dbraw/zinc/50/16/97/905501697.db2.gz RKZMAYQHWVJJAT-UYAOXDASSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512428052 921155277 /nfs/dbraw/zinc/15/52/77/921155277.db2.gz OWFXKGVUHBSNLX-MEQKGCOVSA-N 1 1 408.502 4.450 20 5 HIBDMO C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494233825 905560737 /nfs/dbraw/zinc/56/07/37/905560737.db2.gz LBWIJPONAYQBOR-UVTDQMKNSA-N 1 1 418.291 4.331 20 5 HIBDMO C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494233825 905560747 /nfs/dbraw/zinc/56/07/47/905560747.db2.gz LBWIJPONAYQBOR-UVTDQMKNSA-N 1 1 418.291 4.331 20 5 HIBDMO COCC[N@H+](Cc1ccc(Br)s1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000494286344 905607940 /nfs/dbraw/zinc/60/79/40/905607940.db2.gz ZAAFVLVTLJJMSF-UHFFFAOYSA-N 1 1 415.309 4.076 20 5 HIBDMO COCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000494286344 905607951 /nfs/dbraw/zinc/60/79/51/905607951.db2.gz ZAAFVLVTLJJMSF-UHFFFAOYSA-N 1 1 415.309 4.076 20 5 HIBDMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494499436 905788261 /nfs/dbraw/zinc/78/82/61/905788261.db2.gz ZQFRQYUTFXIUBQ-JBBXEZCESA-N 1 1 414.849 4.479 20 5 HIBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000494552580 905831595 /nfs/dbraw/zinc/83/15/95/905831595.db2.gz JTJDKQMJVKRODU-QGZVFWFLSA-N 1 1 416.909 4.027 20 5 HIBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000512470514 921182682 /nfs/dbraw/zinc/18/26/82/921182682.db2.gz YWTXNBBCOYIEAZ-INIZCTEOSA-N 1 1 401.532 4.452 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc(F)c(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494662479 905889103 /nfs/dbraw/zinc/88/91/03/905889103.db2.gz DHAYRLCRADNIEW-UHFFFAOYSA-N 1 1 404.772 4.330 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000497921387 907390942 /nfs/dbraw/zinc/39/09/42/907390942.db2.gz MYRYYDHAQAJIHI-UHFFFAOYSA-N 1 1 424.888 4.145 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000497921387 907390965 /nfs/dbraw/zinc/39/09/65/907390965.db2.gz MYRYYDHAQAJIHI-UHFFFAOYSA-N 1 1 424.888 4.145 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500237201 909725629 /nfs/dbraw/zinc/72/56/29/909725629.db2.gz DAXGSTHYYJRHBE-UHFFFAOYSA-N 1 1 411.502 4.119 20 5 HIBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500746255 910056133 /nfs/dbraw/zinc/05/61/33/910056133.db2.gz IYPIFXPJPHTYOP-LLVKDONJSA-N 1 1 412.273 4.369 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000501305981 910459083 /nfs/dbraw/zinc/45/90/83/910459083.db2.gz HQLIBSJHJQFEGT-LJQANCHMSA-N 1 1 421.419 4.254 20 5 HIBDMO Cc1c(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000502322793 911300583 /nfs/dbraw/zinc/30/05/83/911300583.db2.gz ABHQPORAZAYFTI-SFHVURJKSA-N 1 1 411.506 4.135 20 5 HIBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502354431 911334721 /nfs/dbraw/zinc/33/47/21/911334721.db2.gz OKQZNCGOIAWOOX-WBVHZDCISA-N 1 1 411.506 4.387 20 5 HIBDMO COc1ccc(CNc2[nH+]cnc3c2c(C)c(C)n3Cc2ccco2)cc1[N+](=O)[O-] ZINC000502733609 911759668 /nfs/dbraw/zinc/75/96/68/911759668.db2.gz CGABGJPFTJLMDW-UHFFFAOYSA-N 1 1 407.430 4.218 20 5 HIBDMO COc1cc(C[NH+]2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506438177 915039922 /nfs/dbraw/zinc/03/99/22/915039922.db2.gz GPKXOOZIJAQRGB-UHFFFAOYSA-N 1 1 416.318 4.319 20 5 HIBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000513380667 921752998 /nfs/dbraw/zinc/75/29/98/921752998.db2.gz KGJUJPWLRGKZIT-SFHVURJKSA-N 1 1 423.307 4.008 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507126277 915880477 /nfs/dbraw/zinc/88/04/77/915880477.db2.gz KSOSMOHMDUWCBC-UHFFFAOYSA-N 1 1 407.470 4.122 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507245058 916005599 /nfs/dbraw/zinc/00/55/99/916005599.db2.gz WDWOONLGPWHHGD-WDEREUQCSA-N 1 1 410.243 4.174 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000507245056 916006193 /nfs/dbraw/zinc/00/61/93/916006193.db2.gz WDWOONLGPWHHGD-MNOVXSKESA-N 1 1 410.243 4.174 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000507254795 916014518 /nfs/dbraw/zinc/01/45/18/916014518.db2.gz XEVRODLVMWGQMM-NWDGAFQWSA-N 1 1 424.270 4.483 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507634853 916393958 /nfs/dbraw/zinc/39/39/58/916393958.db2.gz JOUILHXXFGZNKS-UHFFFAOYSA-N 1 1 421.501 4.187 20 5 HIBDMO CC[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000509296941 917977065 /nfs/dbraw/zinc/97/70/65/917977065.db2.gz RINGTHIWEIQPTC-JOCHJYFZSA-N 1 1 424.545 4.352 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(C[N@H+](CCCOc2ccccc2)C2CCOCC2)c(F)c1 ZINC000509620977 918268685 /nfs/dbraw/zinc/26/86/85/918268685.db2.gz KUPVKBZMPWLPKP-UHFFFAOYSA-N 1 1 406.429 4.323 20 5 HIBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)c(F)c1 ZINC000509620977 918268695 /nfs/dbraw/zinc/26/86/95/918268695.db2.gz KUPVKBZMPWLPKP-UHFFFAOYSA-N 1 1 406.429 4.323 20 5 HIBDMO CCOc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510112904 918674310 /nfs/dbraw/zinc/67/43/10/918674310.db2.gz MQZSIPOOWBVOJJ-IEBWSBKVSA-N 1 1 411.502 4.024 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](n4ncc5ccccc54)C3)o2)c1 ZINC000510436228 918896229 /nfs/dbraw/zinc/89/62/29/918896229.db2.gz YTKHQJXSWBKHOL-IBGZPJMESA-N 1 1 403.442 4.089 20 5 HIBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000511103627 919710202 /nfs/dbraw/zinc/71/02/02/919710202.db2.gz CXGAEHNNKWURCF-HNNXBMFYSA-N 1 1 407.392 4.092 20 5 HIBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc(-c2cccs2)no1 ZINC000511124572 919738362 /nfs/dbraw/zinc/73/83/62/919738362.db2.gz KWIUXEYWBWFZBP-UHFFFAOYSA-N 1 1 411.443 4.036 20 5 HIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc(-c2cccs2)no1 ZINC000511124572 919738368 /nfs/dbraw/zinc/73/83/68/919738368.db2.gz KWIUXEYWBWFZBP-UHFFFAOYSA-N 1 1 411.443 4.036 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000511223497 919830625 /nfs/dbraw/zinc/83/06/25/919830625.db2.gz PDICFLUAFOCJNX-WBVHZDCISA-N 1 1 401.894 4.279 20 5 HIBDMO CC[N@H+](Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)C[C@H]1CCCO1 ZINC000511495158 920106190 /nfs/dbraw/zinc/10/61/90/920106190.db2.gz NAUNYUZFPIEFPA-HXUWFJFHSA-N 1 1 400.475 4.183 20 5 HIBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512232736 920986239 /nfs/dbraw/zinc/98/62/39/920986239.db2.gz DWSITNBDPQGLAW-MRXNPFEDSA-N 1 1 408.380 4.010 20 5 HIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000513497403 921847129 /nfs/dbraw/zinc/84/71/29/921847129.db2.gz WLZOOCQNWCNLFX-SFHVURJKSA-N 1 1 406.486 4.306 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000513516530 921862721 /nfs/dbraw/zinc/86/27/21/921862721.db2.gz XRLRSYFYXZIFMY-NRFANRHFSA-N 1 1 414.893 4.378 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)s2)cc1 ZINC000513682562 922004198 /nfs/dbraw/zinc/00/41/98/922004198.db2.gz ANGDUERQVWIWQG-MRXNPFEDSA-N 1 1 409.515 4.241 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000513919867 922242196 /nfs/dbraw/zinc/24/21/96/922242196.db2.gz GFXVRRQRGXYBJH-OAQYLSRUSA-N 1 1 406.486 4.107 20 5 HIBDMO C[N@H+](CCCOc1cccc(Cl)c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000515502182 923136548 /nfs/dbraw/zinc/13/65/48/923136548.db2.gz WGGHVWMOJMFIMR-UHFFFAOYSA-N 1 1 402.838 4.199 20 5 HIBDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000515502182 923136553 /nfs/dbraw/zinc/13/65/53/923136553.db2.gz WGGHVWMOJMFIMR-UHFFFAOYSA-N 1 1 402.838 4.199 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCOC3(CCOCC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000515538961 923163997 /nfs/dbraw/zinc/16/39/97/923163997.db2.gz YZYCRGZSJMMXMA-UHFFFAOYSA-N 1 1 416.449 4.298 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCOC3(CCOCC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000515538961 923164002 /nfs/dbraw/zinc/16/40/02/923164002.db2.gz YZYCRGZSJMMXMA-UHFFFAOYSA-N 1 1 416.449 4.298 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000517454720 924201325 /nfs/dbraw/zinc/20/13/25/924201325.db2.gz GKDRENDVJYKMEB-CQSZACIVSA-N 1 1 419.934 4.471 20 5 HIBDMO CC[N@@H+]1CCCC[C@H]1CNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000517709237 926807775 /nfs/dbraw/zinc/80/77/75/926807775.db2.gz IPNKBYKGZXSCKN-NRFANRHFSA-N 1 1 413.518 4.146 20 5 HIBDMO CC[N@H+]1CCCC[C@H]1CNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000517709237 926807781 /nfs/dbraw/zinc/80/77/81/926807781.db2.gz IPNKBYKGZXSCKN-NRFANRHFSA-N 1 1 413.518 4.146 20 5 HIBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518710984 927449298 /nfs/dbraw/zinc/44/92/98/927449298.db2.gz LXYBCWYNIMUOBC-CQSZACIVSA-N 1 1 415.877 4.255 20 5 HIBDMO 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O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)cs2)c1 ZINC000539860294 938959826 /nfs/dbraw/zinc/95/98/26/938959826.db2.gz QDYMLXOJCPYWDN-FQEVSTJZSA-N 1 1 417.531 4.268 20 5 HIBDMO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C1 ZINC000539901127 938973500 /nfs/dbraw/zinc/97/35/00/938973500.db2.gz OYUGAMXFVQJTPJ-HEFCMCLBSA-N 1 1 406.866 4.277 20 5 HIBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C1 ZINC000539901127 938973501 /nfs/dbraw/zinc/97/35/01/938973501.db2.gz OYUGAMXFVQJTPJ-HEFCMCLBSA-N 1 1 406.866 4.277 20 5 HIBDMO COc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc(OC)c1OC ZINC000540325482 939195034 /nfs/dbraw/zinc/19/50/34/939195034.db2.gz UMFCZTVSOFIWTK-CQSZACIVSA-N 1 1 404.463 4.259 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000540447031 939253398 /nfs/dbraw/zinc/25/33/98/939253398.db2.gz URYXXXNWTYXRRM-HSZRJFAPSA-N 1 1 419.481 4.389 20 5 HIBDMO CC(C)OCC[NH+]1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000540610172 939319373 /nfs/dbraw/zinc/31/93/73/939319373.db2.gz OSJRDOXHIUOOGQ-UHFFFAOYSA-N 1 1 421.925 4.487 20 5 HIBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541679637 939599053 /nfs/dbraw/zinc/59/90/53/939599053.db2.gz VMLGFNACVOYYNN-MOPGFXCFSA-N 1 1 403.548 4.234 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000541718732 939613717 /nfs/dbraw/zinc/61/37/17/939613717.db2.gz NZMNEFDFJAUPLD-GCJKJVERSA-N 1 1 423.513 4.474 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000541773073 939626824 /nfs/dbraw/zinc/62/68/24/939626824.db2.gz PMHJNJSRMPLFMP-GFCCVEGCSA-N 1 1 407.264 4.288 20 5 HIBDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542092986 939708708 /nfs/dbraw/zinc/70/87/08/939708708.db2.gz GZDBWAIYWSOSAT-SJLPKXTDSA-N 1 1 420.872 4.126 20 5 HIBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542092986 939708719 /nfs/dbraw/zinc/70/87/19/939708719.db2.gz GZDBWAIYWSOSAT-SJLPKXTDSA-N 1 1 420.872 4.126 20 5 HIBDMO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542962451 939887011 /nfs/dbraw/zinc/88/70/11/939887011.db2.gz QJNMSYOOXYDCDJ-VQIMIIECSA-N 1 1 412.490 4.120 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](CCc4ccccc4)C3)o2)c1 ZINC000543557460 940107883 /nfs/dbraw/zinc/10/78/83/940107883.db2.gz RYQOJOURIIKWLZ-NRFANRHFSA-N 1 1 407.470 4.126 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](CCc4ccccc4)C3)o2)c1 ZINC000543557460 940107890 /nfs/dbraw/zinc/10/78/90/940107890.db2.gz RYQOJOURIIKWLZ-NRFANRHFSA-N 1 1 407.470 4.126 20 5 HIBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580789 940117901 /nfs/dbraw/zinc/11/79/01/940117901.db2.gz FJNWHOUTFLGMEK-KUHUBIRLSA-N 1 1 403.548 4.090 20 5 HIBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580786 940118019 /nfs/dbraw/zinc/11/80/19/940118019.db2.gz FJNWHOUTFLGMEK-IFXJQAMLSA-N 1 1 403.548 4.090 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000543620781 940135897 /nfs/dbraw/zinc/13/58/97/940135897.db2.gz MWDMPSMEPGDSST-GOSISDBHSA-N 1 1 411.506 4.135 20 5 HIBDMO O=[N+]([O-])c1cccc([C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000543777450 940183255 /nfs/dbraw/zinc/18/32/55/940183255.db2.gz WHAZSGJUWVFDLA-JWQCQUIFSA-N 1 1 417.509 4.041 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1OC ZINC000543813533 940195180 /nfs/dbraw/zinc/19/51/80/940195180.db2.gz GPXBXTNFUMKAGU-LPHOPBHVSA-N 1 1 406.523 4.419 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000543843092 940206173 /nfs/dbraw/zinc/20/61/73/940206173.db2.gz PCDWYHOEEARIIW-QKLQHJQFSA-N 1 1 416.522 4.308 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000543843092 940206179 /nfs/dbraw/zinc/20/61/79/940206179.db2.gz PCDWYHOEEARIIW-QKLQHJQFSA-N 1 1 416.522 4.308 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000544106529 940327941 /nfs/dbraw/zinc/32/79/41/940327941.db2.gz OZTOVTQZSYHSKN-FOIQADDNSA-N 1 1 413.474 4.024 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000544106529 940327946 /nfs/dbraw/zinc/32/79/46/940327946.db2.gz OZTOVTQZSYHSKN-FOIQADDNSA-N 1 1 413.474 4.024 20 5 HIBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000544123098 940332007 /nfs/dbraw/zinc/33/20/07/940332007.db2.gz GKAUIBAZAAFQKU-SNVBAGLBSA-N 1 1 421.277 4.165 20 5 HIBDMO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(C)noc1C ZINC000544459060 940439699 /nfs/dbraw/zinc/43/96/99/940439699.db2.gz WKIBASQMAKKHRN-OAHLLOKOSA-N 1 1 415.475 4.003 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc([C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000544931973 940526377 /nfs/dbraw/zinc/52/63/77/940526377.db2.gz YQUILLIPWASHGI-LJQANCHMSA-N 1 1 418.375 4.351 20 5 HIBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC2 ZINC000546267755 940753802 /nfs/dbraw/zinc/75/38/02/940753802.db2.gz LXQPBGRMRKDSFD-UHFFFAOYSA-N 1 1 411.527 4.446 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC4(CCOCC4)CC3)o2)c(Cl)c1 ZINC000546717866 940872259 /nfs/dbraw/zinc/87/22/59/940872259.db2.gz XRJTVXWNVUBUNC-UHFFFAOYSA-N 1 1 406.866 4.280 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547233605 941039992 /nfs/dbraw/zinc/03/99/92/941039992.db2.gz GWPLOZJWPUUTGQ-KRWDZBQOSA-N 1 1 413.493 4.135 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000548934187 941130673 /nfs/dbraw/zinc/13/06/73/941130673.db2.gz ULVRXGWEGWCBPO-OQIJWPOYSA-N 1 1 409.486 4.341 20 5 HIBDMO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Br)c1OC ZINC000548935481 941130951 /nfs/dbraw/zinc/13/09/51/941130951.db2.gz MYUVPZOJEPEECY-UHFFFAOYSA-N 1 1 409.280 4.049 20 5 HIBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Br)c1OC ZINC000548935481 941130952 /nfs/dbraw/zinc/13/09/52/941130952.db2.gz MYUVPZOJEPEECY-UHFFFAOYSA-N 1 1 409.280 4.049 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000549582225 941200329 /nfs/dbraw/zinc/20/03/29/941200329.db2.gz GEXHYSPNFOERSZ-HNNXBMFYSA-N 1 1 412.421 4.172 20 5 HIBDMO CC(C)(C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000550077631 941280723 /nfs/dbraw/zinc/28/07/23/941280723.db2.gz VJAQVKGUTMPGBN-UHFFFAOYSA-N 1 1 409.530 4.040 20 5 HIBDMO CSc1ccc([C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)[NH+](C)C)cc1 ZINC000550322741 941314702 /nfs/dbraw/zinc/31/47/02/941314702.db2.gz JOPAKYZYMMQTMC-KRWDZBQOSA-N 1 1 411.474 4.311 20 5 HIBDMO CSc1ccc([C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)[NH+](C)C)cc1 ZINC000550322743 941314728 /nfs/dbraw/zinc/31/47/28/941314728.db2.gz JOPAKYZYMMQTMC-QGZVFWFLSA-N 1 1 411.474 4.311 20 5 HIBDMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000551341372 941456730 /nfs/dbraw/zinc/45/67/30/941456730.db2.gz WAFNWSNWDRGWKF-CYBMUJFWSA-N 1 1 419.787 4.197 20 5 HIBDMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000551341372 941456734 /nfs/dbraw/zinc/45/67/34/941456734.db2.gz WAFNWSNWDRGWKF-CYBMUJFWSA-N 1 1 419.787 4.197 20 5 HIBDMO C[C@@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000552922892 941803591 /nfs/dbraw/zinc/80/35/91/941803591.db2.gz YRMGUQRZOOTTGP-OAHLLOKOSA-N 1 1 420.444 4.434 20 5 HIBDMO COc1ccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000554606476 942175030 /nfs/dbraw/zinc/17/50/30/942175030.db2.gz QHFONIDRBFTREB-FQEVSTJZSA-N 1 1 413.518 4.002 20 5 HIBDMO COc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000554606476 942175038 /nfs/dbraw/zinc/17/50/38/942175038.db2.gz QHFONIDRBFTREB-FQEVSTJZSA-N 1 1 413.518 4.002 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000555010407 942354674 /nfs/dbraw/zinc/35/46/74/942354674.db2.gz ARRZXOVRKNDNJR-UGKGYDQZSA-N 1 1 423.513 4.120 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000556615399 942917376 /nfs/dbraw/zinc/91/73/76/942917376.db2.gz WOTMBYNSFSUPKW-ZFWWWQNUSA-N 1 1 407.392 4.006 20 5 HIBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995913 942990699 /nfs/dbraw/zinc/99/06/99/942990699.db2.gz YZLYROWNLVJBPD-UONOGXRCSA-N 1 1 401.429 4.130 20 5 HIBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995913 942990703 /nfs/dbraw/zinc/99/07/03/942990703.db2.gz YZLYROWNLVJBPD-UONOGXRCSA-N 1 1 401.429 4.130 20 5 HIBDMO C[N@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000557624012 943236470 /nfs/dbraw/zinc/23/64/70/943236470.db2.gz ALCPJCCAEZDMAL-ZBEGNZNMSA-N 1 1 421.885 4.497 20 5 HIBDMO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000557725627 943271122 /nfs/dbraw/zinc/27/11/22/943271122.db2.gz OGFPKAOTXPZKQW-RNODOKPDSA-N 1 1 422.441 4.218 20 5 HIBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000558040247 943365065 /nfs/dbraw/zinc/36/50/65/943365065.db2.gz NMPZVWTVAURURO-QFIPXVFZSA-N 1 1 424.545 4.079 20 5 HIBDMO Cc1c(CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000558609324 943617074 /nfs/dbraw/zinc/61/70/74/943617074.db2.gz CPJXADAZYXVBCV-FQEVSTJZSA-N 1 1 410.518 4.005 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@]4(C3)CCC[N@H+](C)C4)c([N+](=O)[O-])c2)cc1 ZINC000558950636 943768827 /nfs/dbraw/zinc/76/88/27/943768827.db2.gz FEFZPHHOGWUXTN-HSZRJFAPSA-N 1 1 408.502 4.078 20 5 HIBDMO CSc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000560482161 944236462 /nfs/dbraw/zinc/23/64/62/944236462.db2.gz KQGWXTXECRKOLN-OAHLLOKOSA-N 1 1 419.572 4.281 20 5 HIBDMO COc1ccncc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000560541925 944248171 /nfs/dbraw/zinc/24/81/71/944248171.db2.gz BDSUIRNFTJWKQS-UHFFFAOYSA-N 1 1 415.453 4.141 20 5 HIBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764370 944787236 /nfs/dbraw/zinc/78/72/36/944787236.db2.gz JEODSCWPBROCLU-BSRJHKFKSA-N 1 1 422.529 4.009 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)[C@@H](C)CO3)no2)c1 ZINC000564268699 945484490 /nfs/dbraw/zinc/48/44/90/945484490.db2.gz HYCAOWKCSLHPKV-YWZLYKJASA-N 1 1 424.457 4.006 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)[C@@H](C)CO3)no2)c1 ZINC000564268699 945484495 /nfs/dbraw/zinc/48/44/95/945484495.db2.gz HYCAOWKCSLHPKV-YWZLYKJASA-N 1 1 424.457 4.006 20 5 HIBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000565745670 945878963 /nfs/dbraw/zinc/87/89/63/945878963.db2.gz LFGSKRYWOCBLFZ-UHFFFAOYSA-N 1 1 402.619 4.143 20 5 HIBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC(F)F ZINC000567436380 946340362 /nfs/dbraw/zinc/34/03/62/946340362.db2.gz YYPRMTIZANAYJI-SJORKVTESA-N 1 1 403.429 4.155 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@@H](COC(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568565614 946601543 /nfs/dbraw/zinc/60/15/43/946601543.db2.gz WOUQNXSNMXARBH-QGZVFWFLSA-N 1 1 422.428 4.244 20 5 HIBDMO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570328536 947204691 /nfs/dbraw/zinc/20/46/91/947204691.db2.gz NRZVHODJBBSXLT-AZUAARDMSA-N 1 1 410.518 4.257 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)s2)cc1 ZINC000570485282 947264285 /nfs/dbraw/zinc/26/42/85/947264285.db2.gz VIUQLGRYYGVEAA-CJNGLKHVSA-N 1 1 400.422 4.316 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288548 948146507 /nfs/dbraw/zinc/14/65/07/948146507.db2.gz UOHHFPXSMNWBKX-CXAGYDPISA-N 1 1 400.422 4.459 20 5 HIBDMO COc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c(OC)n1 ZINC000574066568 948356594 /nfs/dbraw/zinc/35/65/94/948356594.db2.gz NBCPNAXPMQHFFM-UHFFFAOYSA-N 1 1 413.405 4.228 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000574243677 948396304 /nfs/dbraw/zinc/39/63/04/948396304.db2.gz RZBQDIUNPWWHKJ-RTBURBONSA-N 1 1 422.407 4.358 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000574243677 948396310 /nfs/dbraw/zinc/39/63/10/948396310.db2.gz RZBQDIUNPWWHKJ-RTBURBONSA-N 1 1 422.407 4.358 20 5 HIBDMO CC(C)[N@H+](Cc1cn2ccc(Br)cc2n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000574328983 948414491 /nfs/dbraw/zinc/41/44/91/948414491.db2.gz VQQDKQQMTRTFLF-UHFFFAOYSA-N 1 1 403.280 4.416 20 5 HIBDMO CC(C)[N@@H+](Cc1cn2ccc(Br)cc2n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000574328983 948414494 /nfs/dbraw/zinc/41/44/94/948414494.db2.gz VQQDKQQMTRTFLF-UHFFFAOYSA-N 1 1 403.280 4.416 20 5 HIBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000574711676 948508376 /nfs/dbraw/zinc/50/83/76/948508376.db2.gz FQSDVVHTPZKSQI-UHFFFAOYSA-N 1 1 408.845 4.458 20 5 HIBDMO CSc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000575452963 948669813 /nfs/dbraw/zinc/66/98/13/948669813.db2.gz YRCVIINRFNEUEF-QFIPXVFZSA-N 1 1 411.527 4.055 20 5 HIBDMO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000575769712 948699655 /nfs/dbraw/zinc/69/96/55/948699655.db2.gz JMQNDPHKQQTOGY-RZFNWQHOSA-N 1 1 419.529 4.060 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC001164626140 719102991 /nfs/dbraw/zinc/10/29/91/719102991.db2.gz IGNMGVUPKKSGDD-CVDCTZTESA-N 1 1 415.497 4.153 20 5 HIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629280 719112462 /nfs/dbraw/zinc/11/24/62/719112462.db2.gz RROKHARORBDKHE-OXJNMPFZSA-N 1 1 423.904 4.292 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC3)cs1 ZINC001164692606 719809657 /nfs/dbraw/zinc/80/96/57/719809657.db2.gz LBCODPPVNMQIPQ-UHFFFAOYSA-N 1 1 401.536 4.007 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001165027360 721810343 /nfs/dbraw/zinc/81/03/43/721810343.db2.gz UJIWKYVKKWDXPU-HMXCVIKNSA-N 1 1 417.513 4.275 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC001165027774 721818578 /nfs/dbraw/zinc/81/85/78/721818578.db2.gz VWSMHDJHBOELSB-SYYKKAFVSA-N 1 1 417.513 4.275 20 5 HIBDMO Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164952177 722014611 /nfs/dbraw/zinc/01/46/11/722014611.db2.gz IOIXPYIULPCMFN-UHFFFAOYSA-N 1 1 417.513 4.339 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007359376 845316037 /nfs/dbraw/zinc/31/60/37/845316037.db2.gz QBKOWVDKTPIBLU-GFCCVEGCSA-N 1 1 404.373 4.439 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007359376 845316045 /nfs/dbraw/zinc/31/60/45/845316045.db2.gz QBKOWVDKTPIBLU-GFCCVEGCSA-N 1 1 404.373 4.439 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000016587441 846187282 /nfs/dbraw/zinc/18/72/82/846187282.db2.gz HWOAAJKOEVKODJ-LLVKDONJSA-N 1 1 413.808 4.309 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000016587441 846187287 /nfs/dbraw/zinc/18/72/87/846187287.db2.gz HWOAAJKOEVKODJ-LLVKDONJSA-N 1 1 413.808 4.309 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000026227547 847107444 /nfs/dbraw/zinc/10/74/44/847107444.db2.gz NOEZQMJJUVNFPB-UHFFFAOYSA-N 1 1 409.442 4.227 20 5 HIBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000031766347 847944312 /nfs/dbraw/zinc/94/43/12/847944312.db2.gz DAKDJKRUDGQELC-GOSISDBHSA-N 1 1 413.543 4.118 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643411 848445763 /nfs/dbraw/zinc/44/57/63/848445763.db2.gz CCUFQFLYYDTEIV-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643411 848445765 /nfs/dbraw/zinc/44/57/65/848445765.db2.gz CCUFQFLYYDTEIV-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000044877509 848611866 /nfs/dbraw/zinc/61/18/66/848611866.db2.gz RQQIGRNRSYOWPN-OAHLLOKOSA-N 1 1 401.894 4.410 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000046816312 848941048 /nfs/dbraw/zinc/94/10/48/848941048.db2.gz NIHHZIMCTCQYFM-HNNXBMFYSA-N 1 1 401.894 4.410 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c2c(c1)COCO2 ZINC000047274084 849018513 /nfs/dbraw/zinc/01/85/13/849018513.db2.gz JCTYCRKMNJSLSQ-UHFFFAOYSA-N 1 1 409.417 4.371 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c2c(c1)COCO2 ZINC000047274084 849018517 /nfs/dbraw/zinc/01/85/17/849018517.db2.gz JCTYCRKMNJSLSQ-UHFFFAOYSA-N 1 1 409.417 4.371 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000058876931 850948667 /nfs/dbraw/zinc/94/86/67/850948667.db2.gz GHGXHYBNWAQZKV-GOSISDBHSA-N 1 1 411.502 4.055 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C[C@@H]3CCCCO3)CC2)s1 ZINC000061309843 851345038 /nfs/dbraw/zinc/34/50/38/851345038.db2.gz KQKVWIJTPTUKDI-KRWDZBQOSA-N 1 1 401.532 4.010 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@@H]3CCCCO3)CC2)s1 ZINC000061309843 851345047 /nfs/dbraw/zinc/34/50/47/851345047.db2.gz KQKVWIJTPTUKDI-KRWDZBQOSA-N 1 1 401.532 4.010 20 5 HIBDMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCCc3ccc([N+](=O)[O-])cc3)c2c1C ZINC000064915532 852020651 /nfs/dbraw/zinc/02/06/51/852020651.db2.gz SWTMBRZMWAEWOK-UHFFFAOYSA-N 1 1 411.531 4.467 20 5 HIBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1C ZINC000106261036 852765936 /nfs/dbraw/zinc/76/59/36/852765936.db2.gz JHDCYZLCSDWJDD-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1C ZINC000106261036 852765942 /nfs/dbraw/zinc/76/59/42/852765942.db2.gz JHDCYZLCSDWJDD-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1F ZINC000108990800 852905410 /nfs/dbraw/zinc/90/54/10/852905410.db2.gz HRPVFUHZHXXPGO-ZDUSSCGKSA-N 1 1 414.462 4.025 20 5 HIBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000109887712 853029106 /nfs/dbraw/zinc/02/91/06/853029106.db2.gz QEAAATUQEZVXIA-UHFFFAOYSA-N 1 1 412.877 4.078 20 5 HIBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000109887712 853029110 /nfs/dbraw/zinc/02/91/10/853029110.db2.gz QEAAATUQEZVXIA-UHFFFAOYSA-N 1 1 412.877 4.078 20 5 HIBDMO C[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000139833742 853422773 /nfs/dbraw/zinc/42/27/73/853422773.db2.gz RKKOYYHVYPGKRV-OAHLLOKOSA-N 1 1 400.504 4.026 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000147708830 853593097 /nfs/dbraw/zinc/59/30/97/853593097.db2.gz KQPFTYQIWCPDCP-ZDUSSCGKSA-N 1 1 408.911 4.343 20 5 HIBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000150248112 853641787 /nfs/dbraw/zinc/64/17/87/853641787.db2.gz VDFDEFZGIDFYQF-FQEVSTJZSA-N 1 1 413.474 4.086 20 5 HIBDMO CCc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236981143 853946195 /nfs/dbraw/zinc/94/61/95/853946195.db2.gz QVWVTLUMAAFOGP-QHCPKHFHSA-N 1 1 424.522 4.440 20 5 HIBDMO COc1ccc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237150571 853973335 /nfs/dbraw/zinc/97/33/35/853973335.db2.gz XKLOXFNILXXWTO-CTNGQTDRSA-N 1 1 413.518 4.145 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000237200338 853980772 /nfs/dbraw/zinc/98/07/72/853980772.db2.gz KAFUEWNZISBBQU-UHFFFAOYSA-N 1 1 408.454 4.481 20 5 HIBDMO COc1cccc([C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[NH+](C)C)c1 ZINC000237290356 853999010 /nfs/dbraw/zinc/99/90/10/853999010.db2.gz WJNTZDKNRLJECG-HXUWFJFHSA-N 1 1 412.515 4.119 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237313540 854004837 /nfs/dbraw/zinc/00/48/37/854004837.db2.gz MMYHVGTXDYPRRZ-UHFFFAOYSA-N 1 1 404.772 4.488 20 5 HIBDMO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000237405750 854026036 /nfs/dbraw/zinc/02/60/36/854026036.db2.gz CCKVWERURZHDGU-CYBMUJFWSA-N 1 1 413.865 4.429 20 5 HIBDMO C[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[N@@H+]1C1CC1 ZINC000237494229 854045288 /nfs/dbraw/zinc/04/52/88/854045288.db2.gz OSVJLQDEMWFHJC-OLZOCXBDSA-N 1 1 420.307 4.332 20 5 HIBDMO C[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[N@H+]1C1CC1 ZINC000237494229 854045294 /nfs/dbraw/zinc/04/52/94/854045294.db2.gz OSVJLQDEMWFHJC-OLZOCXBDSA-N 1 1 420.307 4.332 20 5 HIBDMO C[C@H](NC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237512566 854048062 /nfs/dbraw/zinc/04/80/62/854048062.db2.gz FZNRUDZMMVCRDF-KRWDZBQOSA-N 1 1 407.518 4.214 20 5 HIBDMO O=C1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1c1ccccc1 ZINC000237909354 854117665 /nfs/dbraw/zinc/11/76/65/854117665.db2.gz JTBIROXLNONFDT-LJQANCHMSA-N 1 1 408.483 4.004 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000238011802 854133932 /nfs/dbraw/zinc/13/39/32/854133932.db2.gz MOTLWDPFSUDSQP-PKTZIBPZSA-N 1 1 417.513 4.164 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000238011802 854133936 /nfs/dbraw/zinc/13/39/36/854133936.db2.gz MOTLWDPFSUDSQP-PKTZIBPZSA-N 1 1 417.513 4.164 20 5 HIBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000255959727 854231554 /nfs/dbraw/zinc/23/15/54/854231554.db2.gz HCVOOTJMEZWNQQ-KDOFPFPSSA-N 1 1 412.408 4.436 20 5 HIBDMO CC(C)NC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301433487 854393145 /nfs/dbraw/zinc/39/31/45/854393145.db2.gz RCPQYYRUILTVLW-OXQOHEQNSA-N 1 1 416.547 4.290 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000301603457 854428132 /nfs/dbraw/zinc/42/81/32/854428132.db2.gz XDPGXEJTCLLUHV-SUMWQHHRSA-N 1 1 405.296 4.075 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301851394 854476329 /nfs/dbraw/zinc/47/63/29/854476329.db2.gz ANQSUTOPNPZIKK-ZBEGNZNMSA-N 1 1 411.325 4.309 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000302811356 854642982 /nfs/dbraw/zinc/64/29/82/854642982.db2.gz PVSQXTBZSGCIKQ-YWZLYKJASA-N 1 1 416.524 4.105 20 5 HIBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000302955794 854695132 /nfs/dbraw/zinc/69/51/32/854695132.db2.gz CZOLYYRBFDKVSW-CALCHBBNSA-N 1 1 411.502 4.011 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000303273527 854845533 /nfs/dbraw/zinc/84/55/33/854845533.db2.gz RWCDZZRANBGVNG-KRWDZBQOSA-N 1 1 406.429 4.058 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303670072 855121307 /nfs/dbraw/zinc/12/13/07/855121307.db2.gz JMDHXSXCBGUASF-UHFFFAOYSA-N 1 1 413.318 4.049 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000303680514 855128497 /nfs/dbraw/zinc/12/84/97/855128497.db2.gz RQUMMTKYMQJYSA-LJQANCHMSA-N 1 1 415.515 4.031 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000426033653 856061211 /nfs/dbraw/zinc/06/12/11/856061211.db2.gz FTRVJKUXJMAUCU-HDICACEKSA-N 1 1 402.539 4.027 20 5 HIBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426777525 856473322 /nfs/dbraw/zinc/47/33/22/856473322.db2.gz OBCPEXCTLFFQTB-IBGZPJMESA-N 1 1 411.502 4.120 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)o2)c1 ZINC000437493519 862851097 /nfs/dbraw/zinc/85/10/97/862851097.db2.gz IHVGGFCGBKWIBS-OAQYLSRUSA-N 1 1 407.470 4.126 20 5 HIBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000437515191 862862267 /nfs/dbraw/zinc/86/22/67/862862267.db2.gz LNLPNJVXVWLFCE-UHFFFAOYSA-N 1 1 410.499 4.413 20 5 HIBDMO CC(C)(O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000428414835 857196406 /nfs/dbraw/zinc/19/64/06/857196406.db2.gz WMXIJJAABQMGAK-UHFFFAOYSA-N 1 1 409.280 4.353 20 5 HIBDMO Cc1cnc([C@@H](C)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cn1 ZINC000428480141 857218816 /nfs/dbraw/zinc/21/88/16/857218816.db2.gz BLJCSSCSIKSYNC-QGZVFWFLSA-N 1 1 423.542 4.301 20 5 HIBDMO CC[C@@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000428889618 857392945 /nfs/dbraw/zinc/39/29/45/857392945.db2.gz XCWRWYXNOHGSBA-HRAATJIYSA-N 1 1 412.490 4.261 20 5 HIBDMO Cc1cc(Br)ccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429229875 857565691 /nfs/dbraw/zinc/56/56/91/857565691.db2.gz WPEIYROZENMNFS-UHFFFAOYSA-N 1 1 406.280 4.129 20 5 HIBDMO Cc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000429233171 857566404 /nfs/dbraw/zinc/56/64/04/857566404.db2.gz WDPOVXUCUWGLCU-UHFFFAOYSA-N 1 1 406.280 4.129 20 5 HIBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000430107074 858034170 /nfs/dbraw/zinc/03/41/70/858034170.db2.gz SRDFYUOLKCMLEH-JOCHJYFZSA-N 1 1 423.494 4.035 20 5 HIBDMO CC(C)(NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000431985541 858904559 /nfs/dbraw/zinc/90/45/59/858904559.db2.gz JJIWBOMYXDZRSF-XDNSSPFJSA-N 1 1 422.529 4.325 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302876 859627216 /nfs/dbraw/zinc/62/72/16/859627216.db2.gz YUGIQYTYHJQOOF-HNNXBMFYSA-N 1 1 401.850 4.036 20 5 HIBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433318270 859637624 /nfs/dbraw/zinc/63/76/24/859637624.db2.gz KYOWUUDUWBCELZ-HNNXBMFYSA-N 1 1 403.866 4.075 20 5 HIBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000434311616 860273518 /nfs/dbraw/zinc/27/35/18/860273518.db2.gz HRIBWVCSPCFZJT-LJQANCHMSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1nc2c(n1[C@H]1CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C1)CCCC2 ZINC000434486530 860369208 /nfs/dbraw/zinc/36/92/08/860369208.db2.gz RAXNWFHORYBHNZ-IBGZPJMESA-N 1 1 421.501 4.123 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437937687 863313472 /nfs/dbraw/zinc/31/34/72/863313472.db2.gz XXASKELLSYTDPK-UHFFFAOYSA-N 1 1 410.518 4.309 20 5 HIBDMO CC(C)c1ccc(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)cc1[N+](=O)[O-] ZINC000438926152 864405055 /nfs/dbraw/zinc/40/50/55/864405055.db2.gz BVAIQFKULLTUIV-UHFFFAOYSA-N 1 1 411.502 4.100 20 5 HIBDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083357 864530781 /nfs/dbraw/zinc/53/07/81/864530781.db2.gz CDMNXJAFVWBLBA-HRAATJIYSA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083357 864530791 /nfs/dbraw/zinc/53/07/91/864530791.db2.gz CDMNXJAFVWBLBA-HRAATJIYSA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083360 864531837 /nfs/dbraw/zinc/53/18/37/864531837.db2.gz CDMNXJAFVWBLBA-KKSFZXQISA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083360 864531845 /nfs/dbraw/zinc/53/18/45/864531845.db2.gz CDMNXJAFVWBLBA-KKSFZXQISA-N 1 1 411.506 4.063 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CC[C@H](O)CC1 ZINC000439771647 865095262 /nfs/dbraw/zinc/09/52/62/865095262.db2.gz UCFAHWBNNYBFBF-MQMHXKEQSA-N 1 1 409.280 4.353 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000439883902 865195094 /nfs/dbraw/zinc/19/50/94/865195094.db2.gz VGKFJGSHJGETTK-IFXJQAMLSA-N 1 1 418.519 4.260 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000440522212 865803671 /nfs/dbraw/zinc/80/36/71/865803671.db2.gz UMEYYBBMOWQIBD-IBGZPJMESA-N 1 1 413.543 4.058 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440546806 865814506 /nfs/dbraw/zinc/81/45/06/865814506.db2.gz OGRWFBRFQZKRSE-RYUMIWLPSA-N 1 1 412.490 4.375 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440546806 865814513 /nfs/dbraw/zinc/81/45/13/865814513.db2.gz OGRWFBRFQZKRSE-RYUMIWLPSA-N 1 1 412.490 4.375 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000440925101 866021104 /nfs/dbraw/zinc/02/11/04/866021104.db2.gz KXPCHTBPXJWUHQ-CJNGLKHVSA-N 1 1 415.877 4.396 20 5 HIBDMO CC1CCC([N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]2CCCO2)CC1 ZINC000441442337 866518518 /nfs/dbraw/zinc/51/85/18/866518518.db2.gz BDYWQQBJTCYTBV-KVWWFHCMSA-N 1 1 400.479 4.205 20 5 HIBDMO CCCN(C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441450413 866528136 /nfs/dbraw/zinc/52/81/36/866528136.db2.gz REWASTHIRQIRTQ-ROUUACIJSA-N 1 1 411.502 4.261 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)n2)cc1 ZINC000443650335 868241420 /nfs/dbraw/zinc/24/14/20/868241420.db2.gz IJZNVHVQXMKPJG-CQSZACIVSA-N 1 1 423.404 4.305 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000443944689 868480540 /nfs/dbraw/zinc/48/05/40/868480540.db2.gz FRMPPIBVSQJVDB-UHFFFAOYSA-N 1 1 418.444 4.276 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](COCc4ccccc4)C3)o2)c1 ZINC000444170228 868647371 /nfs/dbraw/zinc/64/73/71/868647371.db2.gz LZBDSTWCMYJMRS-LJQANCHMSA-N 1 1 407.470 4.331 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000444583364 868890521 /nfs/dbraw/zinc/89/05/21/868890521.db2.gz OBJNUZGMIXXKBB-QGZVFWFLSA-N 1 1 421.501 4.472 20 5 HIBDMO COc1cccc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1[N+](=O)[O-] ZINC000444877309 869072231 /nfs/dbraw/zinc/07/22/31/869072231.db2.gz SHCPPUSCRJZFIV-UHFFFAOYSA-N 1 1 408.458 4.335 20 5 HIBDMO C[N@@H+]1CC=C(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000468334939 882270178 /nfs/dbraw/zinc/27/01/78/882270178.db2.gz ZDFWYOAEGKGQKG-UHFFFAOYSA-N 1 1 417.918 4.391 20 5 HIBDMO COc1cc(C[N@H+](C)[C@@H]2CCOc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC000445879964 869869484 /nfs/dbraw/zinc/86/94/84/869869484.db2.gz JXBIRDIZKPQQTC-OAHLLOKOSA-N 1 1 407.264 4.322 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@@H]2CCOc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC000445879964 869869485 /nfs/dbraw/zinc/86/94/85/869869485.db2.gz JXBIRDIZKPQQTC-OAHLLOKOSA-N 1 1 407.264 4.322 20 5 HIBDMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446842931 870761376 /nfs/dbraw/zinc/76/13/76/870761376.db2.gz IUHMMOVPPQXMHL-UHFFFAOYSA-N 1 1 424.892 4.276 20 5 HIBDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000468477977 882440739 /nfs/dbraw/zinc/44/07/39/882440739.db2.gz JMZBQGBLPZLWRY-HNNXBMFYSA-N 1 1 403.504 4.272 20 5 HIBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000468477977 882440762 /nfs/dbraw/zinc/44/07/62/882440762.db2.gz JMZBQGBLPZLWRY-HNNXBMFYSA-N 1 1 403.504 4.272 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000447338787 871233505 /nfs/dbraw/zinc/23/35/05/871233505.db2.gz STWXIXXPFQDGJB-JOCHJYFZSA-N 1 1 409.417 4.060 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448257435 872181207 /nfs/dbraw/zinc/18/12/07/872181207.db2.gz VCCVBYJMUWRTLK-WMLDXEAASA-N 1 1 421.419 4.254 20 5 HIBDMO COc1cc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448357289 872306576 /nfs/dbraw/zinc/30/65/76/872306576.db2.gz WGGVWVFTNPNLRF-UTKZUKDTSA-N 1 1 414.502 4.308 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448645 874508169 /nfs/dbraw/zinc/50/81/69/874508169.db2.gz KVYCOEQGAGSJPT-HKUYNNGSSA-N 1 1 421.522 4.404 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462617193 875727793 /nfs/dbraw/zinc/72/77/93/875727793.db2.gz NHLBDJVVWFIPRX-JMUQELJHSA-N 1 1 409.530 4.190 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000462998587 876012059 /nfs/dbraw/zinc/01/20/59/876012059.db2.gz WBTVYUVXMCTSHS-HSZRJFAPSA-N 1 1 423.557 4.331 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000463281625 876339603 /nfs/dbraw/zinc/33/96/03/876339603.db2.gz VWTBFIOKUQATMD-XMSQKQJNSA-N 1 1 410.518 4.035 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463817006 876930557 /nfs/dbraw/zinc/93/05/57/876930557.db2.gz VHWJKMIUTOYLEE-UHFFFAOYSA-N 1 1 401.429 4.198 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463825718 876941405 /nfs/dbraw/zinc/94/14/05/876941405.db2.gz JKOLWDMANPZVJT-LSDHHAIUSA-N 1 1 413.440 4.340 20 5 HIBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463836288 876956692 /nfs/dbraw/zinc/95/66/92/876956692.db2.gz LTKJNZZBAMRGAH-ZDUSSCGKSA-N 1 1 401.429 4.244 20 5 HIBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463836287 876957783 /nfs/dbraw/zinc/95/77/83/876957783.db2.gz LTKJNZZBAMRGAH-CYBMUJFWSA-N 1 1 401.429 4.244 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)c3ccc(Br)cc3)o2)c1 ZINC000503243647 912223245 /nfs/dbraw/zinc/22/32/45/912223245.db2.gz IHFLGMLCTMGBFS-GOSISDBHSA-N 1 1 417.259 4.441 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464593981 877821474 /nfs/dbraw/zinc/82/14/74/877821474.db2.gz PGNUNMLTMJRZRK-UHFFFAOYSA-N 1 1 400.475 4.054 20 5 HIBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464768711 878010503 /nfs/dbraw/zinc/01/05/03/878010503.db2.gz YXJVXPFRCKYHDN-INIZCTEOSA-N 1 1 415.515 4.046 20 5 HIBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464830923 878087969 /nfs/dbraw/zinc/08/79/69/878087969.db2.gz BPWUICSTXCSPHR-HXUWFJFHSA-N 1 1 420.513 4.246 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370012 881142363 /nfs/dbraw/zinc/14/23/63/881142363.db2.gz NOPPZHPCECDJDQ-OPAMFIHVSA-N 1 1 400.475 4.039 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370011 881142787 /nfs/dbraw/zinc/14/27/87/881142787.db2.gz NOPPZHPCECDJDQ-KSFYIVLOSA-N 1 1 400.475 4.039 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377787 881152187 /nfs/dbraw/zinc/15/21/87/881152187.db2.gz PLLZMUOHVNHGFH-AOMKIAJQSA-N 1 1 400.475 4.039 20 5 HIBDMO CCS(=O)(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000467417433 881204954 /nfs/dbraw/zinc/20/49/54/881204954.db2.gz JUPAIGIREVCSDP-JOCHJYFZSA-N 1 1 410.495 4.268 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000470184164 884473803 /nfs/dbraw/zinc/47/38/03/884473803.db2.gz QSDNSBNMOJATCO-LVZFUZTISA-N 1 1 407.514 4.165 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470665967 885095082 /nfs/dbraw/zinc/09/50/82/885095082.db2.gz GYBVOSAGQRLPEL-XLIONFOSSA-N 1 1 413.543 4.198 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000470832765 885323197 /nfs/dbraw/zinc/32/31/97/885323197.db2.gz SVOAFJHXPZJTFR-QGZVFWFLSA-N 1 1 411.502 4.298 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000471940058 886738260 /nfs/dbraw/zinc/73/82/60/886738260.db2.gz NBCUQKVZCSWTGH-QFBILLFUSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000471940058 886738265 /nfs/dbraw/zinc/73/82/65/886738265.db2.gz NBCUQKVZCSWTGH-QFBILLFUSA-N 1 1 402.882 4.432 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000473063473 887884751 /nfs/dbraw/zinc/88/47/51/887884751.db2.gz RRRUPOHEBYKWNQ-UHFFFAOYSA-N 1 1 413.543 4.461 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473418013 888136920 /nfs/dbraw/zinc/13/69/20/888136920.db2.gz DGKDSFDRJRLGLZ-HSZRJFAPSA-N 1 1 408.502 4.423 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473418015 888137694 /nfs/dbraw/zinc/13/76/94/888137694.db2.gz DGKDSFDRJRLGLZ-QHCPKHFHSA-N 1 1 408.502 4.423 20 5 HIBDMO Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473423171 888143583 /nfs/dbraw/zinc/14/35/83/888143583.db2.gz WVIPGUIZLHUEOH-QHCPKHFHSA-N 1 1 408.502 4.423 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473502490 888228186 /nfs/dbraw/zinc/22/81/86/888228186.db2.gz KDZNSWAVTAZXIJ-DEOSSOPVSA-N 1 1 419.481 4.469 20 5 HIBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503253 888229886 /nfs/dbraw/zinc/22/98/86/888229886.db2.gz MLFJRNLTTSPVKA-JOCHJYFZSA-N 1 1 413.905 4.377 20 5 HIBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473509960 888239174 /nfs/dbraw/zinc/23/91/74/888239174.db2.gz SJAHQUPTDZNLIP-DEOSSOPVSA-N 1 1 418.497 4.204 20 5 HIBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000474570914 889445757 /nfs/dbraw/zinc/44/57/57/889445757.db2.gz VAURIHRJWBXFMJ-UHFFFAOYSA-N 1 1 416.909 4.027 20 5 HIBDMO Cc1cnc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000474791546 889647205 /nfs/dbraw/zinc/64/72/05/889647205.db2.gz RNNILUHRXWMVMW-UHFFFAOYSA-N 1 1 405.296 4.137 20 5 HIBDMO CC[NH+](CC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C)n1)c1cccc(C(F)(F)F)c1 ZINC000475310914 890225130 /nfs/dbraw/zinc/22/51/30/890225130.db2.gz RCGKNHHMPUZYLU-QGZVFWFLSA-N 1 1 410.396 4.339 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000475627343 890564484 /nfs/dbraw/zinc/56/44/84/890564484.db2.gz QVNXCLAKLQMCQL-QVKFZJNVSA-N 1 1 418.877 4.420 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000475630900 890570898 /nfs/dbraw/zinc/57/08/98/890570898.db2.gz KHUICZXEOAKDIA-HXUWFJFHSA-N 1 1 406.866 4.278 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477073328 892006773 /nfs/dbraw/zinc/00/67/73/892006773.db2.gz QBUZVAKNOFFCTL-UHFFFAOYSA-N 1 1 421.453 4.250 20 5 HIBDMO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000477693889 892812998 /nfs/dbraw/zinc/81/29/98/892812998.db2.gz OGWBSFPTBVTUST-FPOVZHCZSA-N 1 1 423.513 4.039 20 5 HIBDMO CSc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000478631261 893886202 /nfs/dbraw/zinc/88/62/02/893886202.db2.gz KBQQSFUFUTWAPX-INIZCTEOSA-N 1 1 405.564 4.433 20 5 HIBDMO Cc1c(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000480075494 895426196 /nfs/dbraw/zinc/42/61/96/895426196.db2.gz SQOUMZHYRVHFEW-QGZVFWFLSA-N 1 1 402.539 4.089 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000480431824 895825283 /nfs/dbraw/zinc/82/52/83/895825283.db2.gz LMHZUBZTTBNGCP-CALCHBBNSA-N 1 1 406.486 4.364 20 5 HIBDMO COc1cc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc([N+](=O)[O-])c1C ZINC000480626153 895993738 /nfs/dbraw/zinc/99/37/38/895993738.db2.gz OREPNSTYHZJTAJ-UHFFFAOYSA-N 1 1 423.513 4.040 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@]4(C3)OCc3ccccc34)o2)c1 ZINC000481691917 897076628 /nfs/dbraw/zinc/07/66/28/897076628.db2.gz GQSJNKABBVIGPQ-HSZRJFAPSA-N 1 1 405.454 4.314 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000481691255 897076733 /nfs/dbraw/zinc/07/67/33/897076733.db2.gz WOUHBWPPGLICBF-QGZVFWFLSA-N 1 1 413.543 4.378 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000482506937 898090496 /nfs/dbraw/zinc/09/04/96/898090496.db2.gz QDCYWEMYXYHMPK-UHFFFAOYSA-N 1 1 410.426 4.039 20 5 HIBDMO C[N@H+](CCOc1ccccc1C(C)(C)C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000483336784 898967170 /nfs/dbraw/zinc/96/71/70/898967170.db2.gz KTMRSXLUBAXJGE-UHFFFAOYSA-N 1 1 410.474 4.453 20 5 HIBDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000483336784 898967178 /nfs/dbraw/zinc/96/71/78/898967178.db2.gz KTMRSXLUBAXJGE-UHFFFAOYSA-N 1 1 410.474 4.453 20 5 HIBDMO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000483441179 899074794 /nfs/dbraw/zinc/07/47/94/899074794.db2.gz IBGNOZWXCZBEOD-INIZCTEOSA-N 1 1 415.877 4.237 20 5 HIBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000483441179 899074807 /nfs/dbraw/zinc/07/48/07/899074807.db2.gz IBGNOZWXCZBEOD-INIZCTEOSA-N 1 1 415.877 4.237 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)nc2c1 ZINC000483471120 899114089 /nfs/dbraw/zinc/11/40/89/899114089.db2.gz QDOQHTAWLOIYGI-WIYYLYMNSA-N 1 1 406.486 4.223 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 ZINC000486440954 901600666 /nfs/dbraw/zinc/60/06/66/901600666.db2.gz XNYMPLXXPRWSHT-IBGZPJMESA-N 1 1 411.483 4.372 20 5 HIBDMO CCOc1cc(NCC2CC[NH+](Cc3csc(CC)n3)CC2)ccc1[N+](=O)[O-] ZINC000486944867 901982357 /nfs/dbraw/zinc/98/23/57/901982357.db2.gz WJSZMURQAFNXQJ-UHFFFAOYSA-N 1 1 404.536 4.337 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)cc(C(F)(F)F)c1 ZINC000487187699 902093196 /nfs/dbraw/zinc/09/31/96/902093196.db2.gz DMCBZRPXZPPQPS-UHFFFAOYSA-N 1 1 420.290 4.234 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000488055879 902569795 /nfs/dbraw/zinc/56/97/95/902569795.db2.gz JJESYYRJJZHKAP-FGTMMUONSA-N 1 1 411.502 4.003 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000488055879 902569823 /nfs/dbraw/zinc/56/98/23/902569823.db2.gz JJESYYRJJZHKAP-FGTMMUONSA-N 1 1 411.502 4.003 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000489915800 903672383 /nfs/dbraw/zinc/67/23/83/903672383.db2.gz HFWBBEFGJIFQNA-AUUYWEPGSA-N 1 1 404.898 4.220 20 5 HIBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490014875 903725041 /nfs/dbraw/zinc/72/50/41/903725041.db2.gz RFARZFZFUUPOGM-LSDHHAIUSA-N 1 1 401.429 4.087 20 5 HIBDMO O=[N+]([O-])c1cccc([C@H](NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc2)c1 ZINC000490179196 903812310 /nfs/dbraw/zinc/81/23/10/903812310.db2.gz WLSXESIIUSIGBT-XMMPIXPASA-N 1 1 402.498 4.333 20 5 HIBDMO COc1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000490402337 903986371 /nfs/dbraw/zinc/98/63/71/903986371.db2.gz NAZGCJDHYIQDFM-CXAGYDPISA-N 1 1 402.463 4.107 20 5 HIBDMO COc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000490402337 903986381 /nfs/dbraw/zinc/98/63/81/903986381.db2.gz NAZGCJDHYIQDFM-CXAGYDPISA-N 1 1 402.463 4.107 20 5 HIBDMO Cc1ccc(Sc2ccc(C[NH+]3CCC(C(=O)N(C)C)CC3)cc2[N+](=O)[O-])cc1 ZINC000506088012 914796481 /nfs/dbraw/zinc/79/64/81/914796481.db2.gz SWZSHNSJPDUTRC-UHFFFAOYSA-N 1 1 413.543 4.355 20 5 HIBDMO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1C ZINC000491182403 904470525 /nfs/dbraw/zinc/47/05/25/904470525.db2.gz JQCNOLQYQBQVDA-UHFFFAOYSA-N 1 1 410.417 4.196 20 5 HIBDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1C ZINC000491182403 904470530 /nfs/dbraw/zinc/47/05/30/904470530.db2.gz JQCNOLQYQBQVDA-UHFFFAOYSA-N 1 1 410.417 4.196 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000512399623 921135620 /nfs/dbraw/zinc/13/56/20/921135620.db2.gz VMBDVCKGNLJNHT-UYAOXDASSA-N 1 1 410.518 4.037 20 5 HIBDMO C[C@H]1[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@H+]1Cc1ccccc1 ZINC000494059021 905397558 /nfs/dbraw/zinc/39/75/58/905397558.db2.gz HOOHEEWNTOWCOQ-JTSKRJEESA-N 1 1 411.505 4.074 20 5 HIBDMO C[C@@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000494070118 905408612 /nfs/dbraw/zinc/40/86/12/905408612.db2.gz VBPJHBIAJVOUHC-CXAGYDPISA-N 1 1 407.392 4.006 20 5 HIBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000512416464 921145543 /nfs/dbraw/zinc/14/55/43/921145543.db2.gz UIPZGNRMJBHISU-INIZCTEOSA-N 1 1 401.532 4.452 20 5 HIBDMO COCC[N@H+](Cc1cc(Br)cs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000494116161 905462329 /nfs/dbraw/zinc/46/23/29/905462329.db2.gz KKZYOTAYHDZZKT-UHFFFAOYSA-N 1 1 415.309 4.076 20 5 HIBDMO COCC[N@@H+](Cc1cc(Br)cs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000494116161 905462335 /nfs/dbraw/zinc/46/23/35/905462335.db2.gz KKZYOTAYHDZZKT-UHFFFAOYSA-N 1 1 415.309 4.076 20 5 HIBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000494127686 905471514 /nfs/dbraw/zinc/47/15/14/905471514.db2.gz NSTPTLIJDANTFJ-QUCCMNQESA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000494127686 905471521 /nfs/dbraw/zinc/47/15/21/905471521.db2.gz NSTPTLIJDANTFJ-QUCCMNQESA-N 1 1 403.429 4.135 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494128888 905472943 /nfs/dbraw/zinc/47/29/43/905472943.db2.gz ULTNCKUPJDJTIV-LPHOPBHVSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494128888 905472953 /nfs/dbraw/zinc/47/29/53/905472953.db2.gz ULTNCKUPJDJTIV-LPHOPBHVSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)c2C1 ZINC000494536195 905818446 /nfs/dbraw/zinc/81/84/46/905818446.db2.gz IAWUXLUJILAGHX-UHFFFAOYSA-N 1 1 405.458 4.004 20 5 HIBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000495039082 906194626 /nfs/dbraw/zinc/19/46/26/906194626.db2.gz HNKIWDZRORHGJV-OAHLLOKOSA-N 1 1 416.909 4.027 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@H+]1Cc1ccccc1 ZINC000512551202 921231188 /nfs/dbraw/zinc/23/11/88/921231188.db2.gz RWCBPOMMJZWKAO-WMZOPIPTSA-N 1 1 406.486 4.107 20 5 HIBDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497101899 906805240 /nfs/dbraw/zinc/80/52/40/906805240.db2.gz ZFYDZCPXJPCKOC-TZIWHRDSSA-N 1 1 414.502 4.165 20 5 HIBDMO Cn1cc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512697708 921291087 /nfs/dbraw/zinc/29/10/87/921291087.db2.gz UPEPWYZIZHLGPL-QFIPXVFZSA-N 1 1 424.476 4.316 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497740698 907236151 /nfs/dbraw/zinc/23/61/51/907236151.db2.gz SRUZNCMLJOFEIR-KRWDZBQOSA-N 1 1 401.894 4.232 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1cccs1 ZINC000498151949 907677673 /nfs/dbraw/zinc/67/76/73/907677673.db2.gz GGAIFNTVBOMHBU-XOBRGWDASA-N 1 1 410.499 4.017 20 5 HIBDMO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498713428 908138798 /nfs/dbraw/zinc/13/87/98/908138798.db2.gz IPBWGCWCVATZQC-MJGOQNOKSA-N 1 1 410.518 4.040 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(I)c(Cl)c2)cs1 ZINC000500448725 909865629 /nfs/dbraw/zinc/86/56/29/909865629.db2.gz SCOGGWMTGIINAM-UHFFFAOYSA-N 1 1 408.648 4.204 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC000513078718 921531637 /nfs/dbraw/zinc/53/16/37/921531637.db2.gz ZXSXQFMJSFOMFY-SFHVURJKSA-N 1 1 419.481 4.497 20 5 HIBDMO C[N@H+](CCc1ccccn1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000503160498 912127530 /nfs/dbraw/zinc/12/75/30/912127530.db2.gz PAYTVEFGKWPQDU-OAQYLSRUSA-N 1 1 424.888 4.498 20 5 HIBDMO C[N@@H+](CCc1ccccn1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000503160498 912127532 /nfs/dbraw/zinc/12/75/32/912127532.db2.gz PAYTVEFGKWPQDU-OAQYLSRUSA-N 1 1 424.888 4.498 20 5 HIBDMO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506402254 915018011 /nfs/dbraw/zinc/01/80/11/915018011.db2.gz IRHVNTHLXWNEHI-LJQANCHMSA-N 1 1 411.483 4.197 20 5 HIBDMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506402254 915018025 /nfs/dbraw/zinc/01/80/25/915018025.db2.gz IRHVNTHLXWNEHI-LJQANCHMSA-N 1 1 411.483 4.197 20 5 HIBDMO CN(C)C(=O)CC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000513371277 921744266 /nfs/dbraw/zinc/74/42/66/921744266.db2.gz KUNPSMOEGFCYJH-UHFFFAOYSA-N 1 1 415.465 4.217 20 5 HIBDMO CC(C)[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000513402358 921770713 /nfs/dbraw/zinc/77/07/13/921770713.db2.gz VAWQCEWKJZQUPQ-OAHLLOKOSA-N 1 1 405.445 4.303 20 5 HIBDMO CC(C)[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000513402358 921770726 /nfs/dbraw/zinc/77/07/26/921770726.db2.gz VAWQCEWKJZQUPQ-OAHLLOKOSA-N 1 1 405.445 4.303 20 5 HIBDMO COc1ccc(C(=O)Nc2cccc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000507140048 915885994 /nfs/dbraw/zinc/88/59/94/915885994.db2.gz DAVKACKSNPVBRU-UHFFFAOYSA-N 1 1 405.454 4.488 20 5 HIBDMO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000507140048 915886006 /nfs/dbraw/zinc/88/60/06/915886006.db2.gz DAVKACKSNPVBRU-UHFFFAOYSA-N 1 1 405.454 4.488 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507177832 915922359 /nfs/dbraw/zinc/92/23/59/915922359.db2.gz HEAQVOVKTVMODI-INIZCTEOSA-N 1 1 408.458 4.141 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000509355347 918020008 /nfs/dbraw/zinc/02/00/08/918020008.db2.gz CHQBWPCQJSEBLN-QQNRWZHASA-N 1 1 400.866 4.007 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000509558117 918208698 /nfs/dbraw/zinc/20/86/98/918208698.db2.gz PXWISVPBYBIVBH-HNNXBMFYSA-N 1 1 420.469 4.201 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000509558117 918208718 /nfs/dbraw/zinc/20/87/18/918208718.db2.gz PXWISVPBYBIVBH-HNNXBMFYSA-N 1 1 420.469 4.201 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000509574904 918224206 /nfs/dbraw/zinc/22/42/06/918224206.db2.gz KTWDBWAZWPMSRJ-GOSISDBHSA-N 1 1 416.522 4.199 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000510086069 918651950 /nfs/dbraw/zinc/65/19/50/918651950.db2.gz OQBWTKWAUFPSEQ-NVXWUHKLSA-N 1 1 401.894 4.279 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000510086071 918652300 /nfs/dbraw/zinc/65/23/00/918652300.db2.gz OQBWTKWAUFPSEQ-RDJZCZTQSA-N 1 1 401.894 4.279 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000510114808 918676861 /nfs/dbraw/zinc/67/68/61/918676861.db2.gz AEHSJZVASXNYLK-AEFFLSMTSA-N 1 1 415.921 4.208 20 5 HIBDMO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000510927842 919447056 /nfs/dbraw/zinc/44/70/56/919447056.db2.gz ILQHWECZKNGYRR-KBPBESRZSA-N 1 1 424.339 4.049 20 5 HIBDMO O=C(C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000511071575 919671534 /nfs/dbraw/zinc/67/15/34/919671534.db2.gz GMPNDDLEZFYPRJ-QFIPXVFZSA-N 1 1 415.440 4.046 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccc(Br)s2)no1 ZINC000511090234 919693257 /nfs/dbraw/zinc/69/32/57/919693257.db2.gz IGSHTRRIPZJGMP-UHFFFAOYSA-N 1 1 423.292 4.143 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccc(Br)s2)no1 ZINC000511090234 919693265 /nfs/dbraw/zinc/69/32/65/919693265.db2.gz IGSHTRRIPZJGMP-UHFFFAOYSA-N 1 1 423.292 4.143 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000511223496 919830386 /nfs/dbraw/zinc/83/03/86/919830386.db2.gz PDICFLUAFOCJNX-RDJZCZTQSA-N 1 1 401.894 4.279 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511270686 919868678 /nfs/dbraw/zinc/86/86/78/919868678.db2.gz SFECTRZDFWVGNF-HOTGVXAUSA-N 1 1 405.564 4.478 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)o2)c1 ZINC000511765087 920449511 /nfs/dbraw/zinc/44/95/11/920449511.db2.gz LXZCGXIRKLNRFL-BHIFYINESA-N 1 1 419.481 4.297 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511880494 920613266 /nfs/dbraw/zinc/61/32/66/920613266.db2.gz VRGADFSOMUDEGX-SFHLNBCPSA-N 1 1 409.486 4.200 20 5 HIBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000512193122 920938308 /nfs/dbraw/zinc/93/83/08/920938308.db2.gz FLYJBKNHBFWKMU-JOCHJYFZSA-N 1 1 424.545 4.079 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)co2)cc1 ZINC000512295161 921050514 /nfs/dbraw/zinc/05/05/14/921050514.db2.gz SCYLLSSYFLQADM-DEOSSOPVSA-N 1 1 418.497 4.348 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513690388 922012358 /nfs/dbraw/zinc/01/23/58/922012358.db2.gz JOKQMRBUFWRLHT-LJQANCHMSA-N 1 1 400.479 4.329 20 5 HIBDMO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000513824738 922149788 /nfs/dbraw/zinc/14/97/88/922149788.db2.gz PTNGGPPOXCFZOX-KRXUUXHPSA-N 1 1 403.567 4.033 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000514156129 922493540 /nfs/dbraw/zinc/49/35/40/922493540.db2.gz OORLVOHUNGBYFS-KRWDZBQOSA-N 1 1 413.543 4.378 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000515756610 923328432 /nfs/dbraw/zinc/32/84/32/923328432.db2.gz OTRPQBGVOBRMOA-PKOBYXMFSA-N 1 1 424.545 4.394 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000515756610 923328451 /nfs/dbraw/zinc/32/84/51/923328451.db2.gz OTRPQBGVOBRMOA-PKOBYXMFSA-N 1 1 424.545 4.394 20 5 HIBDMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000515936531 923450532 /nfs/dbraw/zinc/45/05/32/923450532.db2.gz UNHHMLNCUAKYCV-UHFFFAOYSA-N 1 1 413.421 4.070 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000516588411 923803372 /nfs/dbraw/zinc/80/33/72/923803372.db2.gz GVHYRWWYSIDNEA-CYBMUJFWSA-N 1 1 406.280 4.125 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000516588411 923803380 /nfs/dbraw/zinc/80/33/80/923803380.db2.gz GVHYRWWYSIDNEA-CYBMUJFWSA-N 1 1 406.280 4.125 20 5 HIBDMO CSc1cccc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000516883682 923923079 /nfs/dbraw/zinc/92/30/79/923923079.db2.gz GPGCLUZKMSFWSI-JOCHJYFZSA-N 1 1 411.527 4.055 20 5 HIBDMO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000518031238 926970372 /nfs/dbraw/zinc/97/03/72/926970372.db2.gz ARTKBDNMVIGBRM-ROUUACIJSA-N 1 1 410.518 4.057 20 5 HIBDMO COc1ccc(C[N@@H+](C)C2CCC(CO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518619045 927382284 /nfs/dbraw/zinc/38/22/84/927382284.db2.gz DROJXMYRDQCSST-UHFFFAOYSA-N 1 1 414.502 4.165 20 5 HIBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000520312683 928473889 /nfs/dbraw/zinc/47/38/89/928473889.db2.gz MCTZXISSQPVXSC-IBGZPJMESA-N 1 1 419.569 4.172 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000520989627 928906732 /nfs/dbraw/zinc/90/67/32/928906732.db2.gz VJIYKSSZSPMGJF-UHFFFAOYSA-N 1 1 407.474 4.263 20 5 HIBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525537574 930311085 /nfs/dbraw/zinc/31/10/85/930311085.db2.gz USDMIQCWXWIPEK-KDOFPFPSSA-N 1 1 417.893 4.453 20 5 HIBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810991 931205557 /nfs/dbraw/zinc/20/55/57/931205557.db2.gz FNDZOVLMMRDKKV-KZULUSFZSA-N 1 1 420.307 4.190 20 5 HIBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810991 931205564 /nfs/dbraw/zinc/20/55/64/931205564.db2.gz FNDZOVLMMRDKKV-KZULUSFZSA-N 1 1 420.307 4.190 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OC3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000532556447 931522330 /nfs/dbraw/zinc/52/23/30/931522330.db2.gz IRCRQZJJTFMANA-NXYGQSRBSA-N 1 1 403.523 4.290 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000532579341 931539054 /nfs/dbraw/zinc/53/90/54/931539054.db2.gz SAXGEVGVJHKRGS-UHFFFAOYSA-N 1 1 413.318 4.049 20 5 HIBDMO O=C1[C@H]([N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625854 931559252 /nfs/dbraw/zinc/55/92/52/931559252.db2.gz PZRLDQDSVDNQCO-HNAYVOBHSA-N 1 1 422.510 4.189 20 5 HIBDMO O=C1[C@H]([N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625854 931559269 /nfs/dbraw/zinc/55/92/69/931559269.db2.gz PZRLDQDSVDNQCO-HNAYVOBHSA-N 1 1 422.510 4.189 20 5 HIBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532824379 931641742 /nfs/dbraw/zinc/64/17/42/931641742.db2.gz ATFROWPMEZRRQP-MRXNPFEDSA-N 1 1 417.893 4.002 20 5 HIBDMO CN(C(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532824379 931641745 /nfs/dbraw/zinc/64/17/45/931641745.db2.gz ATFROWPMEZRRQP-MRXNPFEDSA-N 1 1 417.893 4.002 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(CCc4ccc(O)cc4)CC3)n2)cc1 ZINC000532920782 931694668 /nfs/dbraw/zinc/69/46/68/931694668.db2.gz WRXJHUQOPMIFFP-UHFFFAOYSA-N 1 1 408.458 4.195 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000532928961 931699054 /nfs/dbraw/zinc/69/90/54/931699054.db2.gz JDXNCSGROAHRLH-LBPRGKRZSA-N 1 1 411.380 4.254 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000532928961 931699069 /nfs/dbraw/zinc/69/90/69/931699069.db2.gz JDXNCSGROAHRLH-LBPRGKRZSA-N 1 1 411.380 4.254 20 5 HIBDMO Cc1ccc(C[C@H](C)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000532968520 931718420 /nfs/dbraw/zinc/71/84/20/931718420.db2.gz JZFJIBIHPXDELH-AWEZNQCLSA-N 1 1 420.307 4.167 20 5 HIBDMO COc1ccc(OCC[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000533066044 931761791 /nfs/dbraw/zinc/76/17/91/931761791.db2.gz JWFAHEQHDYRAGO-IBGZPJMESA-N 1 1 410.474 4.096 20 5 HIBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000533066044 931761797 /nfs/dbraw/zinc/76/17/97/931761797.db2.gz JWFAHEQHDYRAGO-IBGZPJMESA-N 1 1 410.474 4.096 20 5 HIBDMO C[N@@H+](CCOc1ccccc1Cl)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533218799 931812435 /nfs/dbraw/zinc/81/24/35/931812435.db2.gz ADUSFCKIXXWAOO-UHFFFAOYSA-N 1 1 401.850 4.457 20 5 HIBDMO COc1ccc(CCC2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)cc1 ZINC000533235605 931815786 /nfs/dbraw/zinc/81/57/86/931815786.db2.gz VANUYZHMTGDNCP-UHFFFAOYSA-N 1 1 411.502 4.195 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000533303466 931833556 /nfs/dbraw/zinc/83/35/56/931833556.db2.gz YGRDWYGWVIRJSX-OAHLLOKOSA-N 1 1 403.866 4.075 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000533427482 931865400 /nfs/dbraw/zinc/86/54/00/931865400.db2.gz SWHPWJFYPZKCGQ-YCRPNKLZSA-N 1 1 415.515 4.111 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)c2c(c1)COCO2 ZINC000533606881 931921092 /nfs/dbraw/zinc/92/10/92/931921092.db2.gz PVDGJZFEIJHUTF-HNNXBMFYSA-N 1 1 418.877 4.406 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)c2c(c1)COCO2 ZINC000533606881 931921113 /nfs/dbraw/zinc/92/11/13/931921113.db2.gz PVDGJZFEIJHUTF-HNNXBMFYSA-N 1 1 418.877 4.406 20 5 HIBDMO C[N@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534227486 932346561 /nfs/dbraw/zinc/34/65/61/932346561.db2.gz XRESXTGYCRBASJ-IIBYNOLFSA-N 1 1 419.884 4.129 20 5 HIBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534842746 932803508 /nfs/dbraw/zinc/80/35/08/932803508.db2.gz KUUNLXOLSUJREA-OAHLLOKOSA-N 1 1 401.463 4.194 20 5 HIBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534842746 932803512 /nfs/dbraw/zinc/80/35/12/932803512.db2.gz KUUNLXOLSUJREA-OAHLLOKOSA-N 1 1 401.463 4.194 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000535115191 932932634 /nfs/dbraw/zinc/93/26/34/932932634.db2.gz DLRLIBPPFGGOLF-NFBKMPQASA-N 1 1 423.513 4.332 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000535577480 933252273 /nfs/dbraw/zinc/25/22/73/933252273.db2.gz XWVAZDLAVSHZJV-PZJWPPBQSA-N 1 1 416.909 4.002 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000535577480 933252278 /nfs/dbraw/zinc/25/22/78/933252278.db2.gz XWVAZDLAVSHZJV-PZJWPPBQSA-N 1 1 416.909 4.002 20 5 HIBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673415 933321101 /nfs/dbraw/zinc/32/11/01/933321101.db2.gz XTNUHYOUSCKNNN-KXBFYZLASA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535682581 933335924 /nfs/dbraw/zinc/33/59/24/933335924.db2.gz VTQKRQKLIKRKCQ-KUHUBIRLSA-N 1 1 405.857 4.119 20 5 HIBDMO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000535967446 933529303 /nfs/dbraw/zinc/52/93/03/933529303.db2.gz RCYPWIGOKBXBNZ-CQSZACIVSA-N 1 1 406.442 4.009 20 5 HIBDMO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000535967446 933529306 /nfs/dbraw/zinc/52/93/06/933529306.db2.gz RCYPWIGOKBXBNZ-CQSZACIVSA-N 1 1 406.442 4.009 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536009862 933567743 /nfs/dbraw/zinc/56/77/43/933567743.db2.gz QYNRSOYWNYJPOK-SFHVURJKSA-N 1 1 422.529 4.237 20 5 HIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000537689050 938355210 /nfs/dbraw/zinc/35/52/10/938355210.db2.gz YRTXISKCRATGEC-AVRDEDQJSA-N 1 1 406.486 4.040 20 5 HIBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000537691843 938356166 /nfs/dbraw/zinc/35/61/66/938356166.db2.gz DBMKJRDNDIOCSQ-LJQANCHMSA-N 1 1 413.543 4.355 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000538096871 938501145 /nfs/dbraw/zinc/50/11/45/938501145.db2.gz YEYQNBRMMHLYBX-FXAWDEMLSA-N 1 1 408.502 4.078 20 5 HIBDMO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000538141790 938519221 /nfs/dbraw/zinc/51/92/21/938519221.db2.gz QIMYPJSIRWXTLX-JTQLQIEISA-N 1 1 400.237 4.354 20 5 HIBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)nc2c1 ZINC000538148515 938521439 /nfs/dbraw/zinc/52/14/39/938521439.db2.gz WABREDSZYHXTDB-IRXDYDNUSA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)nc2c1 ZINC000538148515 938521440 /nfs/dbraw/zinc/52/14/40/938521440.db2.gz WABREDSZYHXTDB-IRXDYDNUSA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148515 938521442 /nfs/dbraw/zinc/52/14/42/938521442.db2.gz WABREDSZYHXTDB-IRXDYDNUSA-N 1 1 421.501 4.295 20 5 HIBDMO Cc1ccc2nc([C@H]3CCC[N@H+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148515 938521445 /nfs/dbraw/zinc/52/14/45/938521445.db2.gz WABREDSZYHXTDB-IRXDYDNUSA-N 1 1 421.501 4.295 20 5 HIBDMO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000538176167 938536493 /nfs/dbraw/zinc/53/64/93/938536493.db2.gz RYUOZQPVKKMWBG-NSHDSACASA-N 1 1 418.425 4.286 20 5 HIBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1OCc1ccccc1 ZINC000538232485 938567068 /nfs/dbraw/zinc/56/70/68/938567068.db2.gz CBDUCNXLFAOMRR-MRXNPFEDSA-N 1 1 405.454 4.124 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000538237070 938569925 /nfs/dbraw/zinc/56/99/25/938569925.db2.gz HWHSLFKFQQWKIJ-MRXNPFEDSA-N 1 1 413.543 4.272 20 5 HIBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000538312005 938590020 /nfs/dbraw/zinc/59/00/20/938590020.db2.gz IQYWXRINJCVGBM-UHFFFAOYSA-N 1 1 404.470 4.039 20 5 HIBDMO CCOc1ccc([C@@H](C)Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1[N+](=O)[O-] ZINC000538534149 938643416 /nfs/dbraw/zinc/64/34/16/938643416.db2.gz BLTJNHYESNEHPH-GOSISDBHSA-N 1 1 412.534 4.304 20 5 HIBDMO CCOc1cc(C[N@H+]2C[C@@H](C)CC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538726990 938693122 /nfs/dbraw/zinc/69/31/22/938693122.db2.gz MOMKESITRSQAMC-INIZCTEOSA-N 1 1 416.522 4.198 20 5 HIBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000538729835 938694804 /nfs/dbraw/zinc/69/48/04/938694804.db2.gz ZFIOTUGRPGUZMO-IBGZPJMESA-N 1 1 400.475 4.041 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000538749864 938700702 /nfs/dbraw/zinc/70/07/02/938700702.db2.gz KNMONQLRTMEKLZ-UXHICEINSA-N 1 1 418.497 4.306 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000538749865 938700807 /nfs/dbraw/zinc/70/08/07/938700807.db2.gz KNMONQLRTMEKLZ-VQTJNVASSA-N 1 1 418.497 4.306 20 5 HIBDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538751238 938701870 /nfs/dbraw/zinc/70/18/70/938701870.db2.gz WSPPOPBSEPRCJH-HXUWFJFHSA-N 1 1 412.877 4.302 20 5 HIBDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538796172 938714162 /nfs/dbraw/zinc/71/41/62/938714162.db2.gz SXSRJHTUQAXQAP-YZGWKJHDSA-N 1 1 401.532 4.007 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H]1CCC[C@@H]1O ZINC000538811691 938719011 /nfs/dbraw/zinc/71/90/11/938719011.db2.gz BNMLMBHFUXYJOL-PXAZEXFGSA-N 1 1 409.280 4.210 20 5 HIBDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O ZINC000539360019 938848242 /nfs/dbraw/zinc/84/82/42/938848242.db2.gz MVPWBUKQZMCNHX-ORAYPTAESA-N 1 1 422.441 4.210 20 5 HIBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000539376539 938851217 /nfs/dbraw/zinc/85/12/17/938851217.db2.gz JDMGQUJWLXECGP-LLVKDONJSA-N 1 1 421.379 4.088 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] ZINC000539379329 938851798 /nfs/dbraw/zinc/85/17/98/938851798.db2.gz NIAUTLITQPRWCP-LBPRGKRZSA-N 1 1 407.264 4.288 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000539829657 938950204 /nfs/dbraw/zinc/95/02/04/938950204.db2.gz SUYGJIHXOLXMQU-LJQANCHMSA-N 1 1 405.502 4.161 20 5 HIBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Oc1cccnc1 ZINC000539838630 938954038 /nfs/dbraw/zinc/95/40/38/938954038.db2.gz URSSPAOEHIPQOR-GOSISDBHSA-N 1 1 405.458 4.172 20 5 HIBDMO Cc1c(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000540318968 939192450 /nfs/dbraw/zinc/19/24/50/939192450.db2.gz VPVYPAKJDVRRGN-SFHVURJKSA-N 1 1 421.419 4.375 20 5 HIBDMO Cc1c(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000540318967 939192898 /nfs/dbraw/zinc/19/28/98/939192898.db2.gz VPVYPAKJDVRRGN-GOSISDBHSA-N 1 1 421.419 4.375 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1SC ZINC000540432902 939246611 /nfs/dbraw/zinc/24/66/11/939246611.db2.gz IBGQRDDUSPRSLR-UHFFFAOYSA-N 1 1 415.515 4.214 20 5 HIBDMO CN(C)c1nccc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000540923707 939418278 /nfs/dbraw/zinc/41/82/78/939418278.db2.gz AMCZRPFCFXTMLT-UHFFFAOYSA-N 1 1 413.865 4.186 20 5 HIBDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541166573 939483896 /nfs/dbraw/zinc/48/38/96/939483896.db2.gz JHNFRTRFDWBZSM-WBVHZDCISA-N 1 1 408.861 4.059 20 5 HIBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541166573 939483897 /nfs/dbraw/zinc/48/38/97/939483897.db2.gz JHNFRTRFDWBZSM-WBVHZDCISA-N 1 1 408.861 4.059 20 5 HIBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC[C@H]21 ZINC000541726240 939615061 /nfs/dbraw/zinc/61/50/61/939615061.db2.gz KHOKEPWPJPAJRC-FXAWDEMLSA-N 1 1 417.575 4.433 20 5 HIBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000541749327 939620306 /nfs/dbraw/zinc/62/03/06/939620306.db2.gz MQMUGRVEJGSVOV-HNNXBMFYSA-N 1 1 403.548 4.257 20 5 HIBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000542337576 939803052 /nfs/dbraw/zinc/80/30/52/939803052.db2.gz FCMHFFSTDIDGDR-UHFFFAOYSA-N 1 1 419.934 4.075 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c(Cl)c1 ZINC000542469547 939828253 /nfs/dbraw/zinc/82/82/53/939828253.db2.gz PFMWFXHIPHHJSN-UHFFFAOYSA-N 1 1 413.861 4.391 20 5 HIBDMO CCc1ccc([C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542478999 939830167 /nfs/dbraw/zinc/83/01/67/939830167.db2.gz LTANGXWCWDFUOI-PGRDOPGGSA-N 1 1 414.433 4.008 20 5 HIBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000542610316 939848109 /nfs/dbraw/zinc/84/81/09/939848109.db2.gz KIJWRGMYRNXQKI-OAHLLOKOSA-N 1 1 423.473 4.195 20 5 HIBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000542863304 939864001 /nfs/dbraw/zinc/86/40/01/939864001.db2.gz KPXQSPMQUOQHQS-QGZVFWFLSA-N 1 1 409.408 4.182 20 5 HIBDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000543157099 939979890 /nfs/dbraw/zinc/97/98/90/939979890.db2.gz SPPLCHWVNCVTIY-UHFFFAOYSA-N 1 1 403.482 4.199 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000543197575 939992464 /nfs/dbraw/zinc/99/24/64/939992464.db2.gz LMFLHYQEDWCIMY-JOCHJYFZSA-N 1 1 422.529 4.143 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC3(CCC[N@H+]3C)CC2)cc1OC ZINC000543196535 939992720 /nfs/dbraw/zinc/99/27/20/939992720.db2.gz DJPAZWJXNISHTH-KRWDZBQOSA-N 1 1 405.539 4.089 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543392831 940049665 /nfs/dbraw/zinc/04/96/65/940049665.db2.gz CNQNRCPLXVMJQK-LLVKDONJSA-N 1 1 419.425 4.237 20 5 HIBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543556581 940107546 /nfs/dbraw/zinc/10/75/46/940107546.db2.gz FXLNRXREVDVEGV-LPHOPBHVSA-N 1 1 421.856 4.178 20 5 HIBDMO COc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000543889168 940227255 /nfs/dbraw/zinc/22/72/55/940227255.db2.gz RMQNCRWRTAGSMU-UHFFFAOYSA-N 1 1 424.457 4.150 20 5 HIBDMO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000543889168 940227259 /nfs/dbraw/zinc/22/72/59/940227259.db2.gz RMQNCRWRTAGSMU-UHFFFAOYSA-N 1 1 424.457 4.150 20 5 HIBDMO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000544039339 940307082 /nfs/dbraw/zinc/30/70/82/940307082.db2.gz GKZPDEHZAASZGO-UHFFFAOYSA-N 1 1 413.465 4.057 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000544564444 940480222 /nfs/dbraw/zinc/48/02/22/940480222.db2.gz GIXFKHLHPTWNET-DLBZAZTESA-N 1 1 406.523 4.419 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626249 940493699 /nfs/dbraw/zinc/49/36/99/940493699.db2.gz OEWGPVLEWLFTKT-HKUYNNGSSA-N 1 1 404.438 4.103 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCC[N@@H+](Cc5ccccc5)C4)n3)c2c1 ZINC000545146045 940550560 /nfs/dbraw/zinc/55/05/60/940550560.db2.gz URDSMBYGIPIGMQ-KRWDZBQOSA-N 1 1 417.469 4.430 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547245184 941042103 /nfs/dbraw/zinc/04/21/03/941042103.db2.gz GTYGYDDCYQMRPB-IERDGZPVSA-N 1 1 413.493 4.038 20 5 HIBDMO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549345903 941181631 /nfs/dbraw/zinc/18/16/31/941181631.db2.gz UQIDZLAWJZASSA-UHFFFAOYSA-N 1 1 409.408 4.082 20 5 HIBDMO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549345903 941181632 /nfs/dbraw/zinc/18/16/32/941181632.db2.gz UQIDZLAWJZASSA-UHFFFAOYSA-N 1 1 409.408 4.082 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000552046988 941573482 /nfs/dbraw/zinc/57/34/82/941573482.db2.gz XEDVCMFRDCOSTG-INIZCTEOSA-N 1 1 421.320 4.074 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)s1 ZINC000552134718 941591935 /nfs/dbraw/zinc/59/19/35/941591935.db2.gz VCJLPBGCRIGKMA-MRXNPFEDSA-N 1 1 424.526 4.107 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3Cn3cnc4ccccc43)co2)cc1 ZINC000552156431 941595048 /nfs/dbraw/zinc/59/50/48/941595048.db2.gz FTOGVZMGIWNSRL-IBGZPJMESA-N 1 1 403.442 4.264 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000552290304 941623553 /nfs/dbraw/zinc/62/35/53/941623553.db2.gz HFJXZUMLAVGERL-QFIPXVFZSA-N 1 1 404.470 4.058 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000552290304 941623557 /nfs/dbraw/zinc/62/35/57/941623557.db2.gz HFJXZUMLAVGERL-QFIPXVFZSA-N 1 1 404.470 4.058 20 5 HIBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000552873503 941794915 /nfs/dbraw/zinc/79/49/15/941794915.db2.gz YEQKEAVHIRSJID-IBGZPJMESA-N 1 1 413.861 4.031 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553175299 941844685 /nfs/dbraw/zinc/84/46/85/941844685.db2.gz ZHMQQWXZRGJONM-RDGATRHJSA-N 1 1 421.541 4.288 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC(F)F ZINC000553676463 941942202 /nfs/dbraw/zinc/94/22/02/941942202.db2.gz IZEGSVXQSNMMRS-OAQYLSRUSA-N 1 1 403.429 4.299 20 5 HIBDMO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887032 942308805 /nfs/dbraw/zinc/30/88/05/942308805.db2.gz APGHQFONPXQMKS-UGSOOPFHSA-N 1 1 422.323 4.389 20 5 HIBDMO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887032 942308811 /nfs/dbraw/zinc/30/88/11/942308811.db2.gz APGHQFONPXQMKS-UGSOOPFHSA-N 1 1 422.323 4.389 20 5 HIBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887032 942308819 /nfs/dbraw/zinc/30/88/19/942308819.db2.gz APGHQFONPXQMKS-UGSOOPFHSA-N 1 1 422.323 4.389 20 5 HIBDMO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887030 942309109 /nfs/dbraw/zinc/30/91/09/942309109.db2.gz APGHQFONPXQMKS-SCLBCKFNSA-N 1 1 422.323 4.389 20 5 HIBDMO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887030 942309114 /nfs/dbraw/zinc/30/91/14/942309114.db2.gz APGHQFONPXQMKS-SCLBCKFNSA-N 1 1 422.323 4.389 20 5 HIBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887030 942309118 /nfs/dbraw/zinc/30/91/18/942309118.db2.gz APGHQFONPXQMKS-SCLBCKFNSA-N 1 1 422.323 4.389 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000555010406 942354510 /nfs/dbraw/zinc/35/45/10/942354510.db2.gz ARRZXOVRKNDNJR-SIKLNZKXSA-N 1 1 423.513 4.120 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000555527614 942628589 /nfs/dbraw/zinc/62/85/89/942628589.db2.gz IWTCOLKCDSTNGL-HXUWFJFHSA-N 1 1 408.420 4.431 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000555527614 942628600 /nfs/dbraw/zinc/62/86/00/942628600.db2.gz IWTCOLKCDSTNGL-HXUWFJFHSA-N 1 1 408.420 4.431 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556608688 942913967 /nfs/dbraw/zinc/91/39/67/942913967.db2.gz MYUWSSCGSIACBP-TZIWHRDSSA-N 1 1 412.486 4.326 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)n2)cc1 ZINC000556881593 942948710 /nfs/dbraw/zinc/94/87/10/942948710.db2.gz YCSCWQNGFSISLW-ZWKOTPCHSA-N 1 1 416.384 4.013 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412426 943552486 /nfs/dbraw/zinc/55/24/86/943552486.db2.gz ZHPKAAXOPXTYJI-AEFFLSMTSA-N 1 1 423.435 4.355 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412426 943552496 /nfs/dbraw/zinc/55/24/96/943552496.db2.gz ZHPKAAXOPXTYJI-AEFFLSMTSA-N 1 1 423.435 4.355 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000558497551 943576510 /nfs/dbraw/zinc/57/65/10/943576510.db2.gz OVMVGDMANWXEDU-UXHICEINSA-N 1 1 408.502 4.197 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](OC(F)F)C3)o2)c(Br)c1 ZINC000559098532 943838425 /nfs/dbraw/zinc/83/84/25/943838425.db2.gz XCVWBDDVGPZBMO-LBPRGKRZSA-N 1 1 417.206 4.431 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)Oc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560574533 944260688 /nfs/dbraw/zinc/26/06/88/944260688.db2.gz SEHNDMUZUVJVRS-LJQANCHMSA-N 1 1 416.428 4.143 20 5 HIBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000560991171 944388687 /nfs/dbraw/zinc/38/86/87/944388687.db2.gz AKXARHSTCJRGTM-IBGZPJMESA-N 1 1 410.518 4.103 20 5 HIBDMO COc1ccccc1C1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000561316147 944547974 /nfs/dbraw/zinc/54/79/74/944547974.db2.gz ZTNIUQBXRHZYRM-NRFANRHFSA-N 1 1 406.486 4.138 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562056366 944914969 /nfs/dbraw/zinc/91/49/69/944914969.db2.gz GOUAXUPLVLOSIS-IRXDYDNUSA-N 1 1 414.893 4.234 20 5 HIBDMO O=[N+]([O-])c1cc(I)cc(CNc2cccc3cc[nH+]cc32)c1 ZINC000562070821 944921608 /nfs/dbraw/zinc/92/16/08/944921608.db2.gz QMLUPNCGESVPGF-UHFFFAOYSA-N 1 1 405.195 4.360 20 5 HIBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 ZINC000564255081 945472557 /nfs/dbraw/zinc/47/25/57/945472557.db2.gz YXVVJXXMTXJIHI-SIKLNZKXSA-N 1 1 421.457 4.314 20 5 HIBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Oc2cccnc2)cc1 ZINC000565768074 945880768 /nfs/dbraw/zinc/88/07/68/945880768.db2.gz QEZGQJJXOZNEFN-HNNXBMFYSA-N 1 1 407.426 4.499 20 5 HIBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1C1CC1 ZINC000565918923 945923663 /nfs/dbraw/zinc/92/36/63/945923663.db2.gz DBPLVULFKOECMA-UHFFFAOYSA-N 1 1 407.426 4.204 20 5 HIBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000566567152 946041651 /nfs/dbraw/zinc/04/16/51/946041651.db2.gz VZNFLPNMLZKHDB-QHCPKHFHSA-N 1 1 414.502 4.167 20 5 HIBDMO C[C@@H]1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1Cc1ccccc1 ZINC000568912230 946747069 /nfs/dbraw/zinc/74/70/69/946747069.db2.gz VULRSSFNSKYELC-IIBYNOLFSA-N 1 1 408.527 4.471 20 5 HIBDMO C[C@@H]1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 ZINC000568912230 946747074 /nfs/dbraw/zinc/74/70/74/946747074.db2.gz VULRSSFNSKYELC-IIBYNOLFSA-N 1 1 408.527 4.471 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)s2)cc1 ZINC000570485281 947263935 /nfs/dbraw/zinc/26/39/35/947263935.db2.gz VIUQLGRYYGVEAA-BBRMVZONSA-N 1 1 400.422 4.316 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000570493134 947267527 /nfs/dbraw/zinc/26/75/27/947267527.db2.gz HPBXAYGCTFKCHV-UHFFFAOYSA-N 1 1 414.531 4.331 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)s1 ZINC000570718337 947333692 /nfs/dbraw/zinc/33/36/92/947333692.db2.gz WGMQQCATVVVFSG-CQSZACIVSA-N 1 1 407.923 4.212 20 5 HIBDMO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000571428832 947643220 /nfs/dbraw/zinc/64/32/20/947643220.db2.gz WGAQMYDDQAAIDS-UHFFFAOYSA-N 1 1 421.501 4.091 20 5 HIBDMO Cc1ccc(-c2nc(CC[NH2+][C@@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000572066060 947838194 /nfs/dbraw/zinc/83/81/94/947838194.db2.gz YSCDZNKJIQFHSO-OAQYLSRUSA-N 1 1 417.469 4.213 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000573018457 948059464 /nfs/dbraw/zinc/05/94/64/948059464.db2.gz OZDIICSMEWMHHA-CEXWTWQISA-N 1 1 404.413 4.201 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288551 948146410 /nfs/dbraw/zinc/14/64/10/948146410.db2.gz UOHHFPXSMNWBKX-SUMWQHHRSA-N 1 1 400.422 4.459 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574108772 948366370 /nfs/dbraw/zinc/36/63/70/948366370.db2.gz VVZBPMZWZILHEC-NTKDMRAZSA-N 1 1 422.529 4.272 20 5 HIBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722515 720372886 /nfs/dbraw/zinc/37/28/86/720372886.db2.gz DBPXKONELMSZKZ-ROUUACIJSA-N 1 1 409.877 4.045 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1Cl ZINC001164791389 721493083 /nfs/dbraw/zinc/49/30/83/721493083.db2.gz CGZOFHJJISAYCW-UHFFFAOYSA-N 1 1 415.925 4.228 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165023977 721807963 /nfs/dbraw/zinc/80/79/63/721807963.db2.gz KOJWWZAXXIRCPL-CGTJXYLNSA-N 1 1 415.925 4.084 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC001165028285 721810655 /nfs/dbraw/zinc/81/06/55/721810655.db2.gz XDQJSHKZBIZYNJ-RBDMOPTHSA-N 1 1 417.513 4.275 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001165027770 721818646 /nfs/dbraw/zinc/81/86/46/721818646.db2.gz VWSMHDJHBOELSB-RCZSKKKRSA-N 1 1 417.513 4.275 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436059869 861343816 /nfs/dbraw/zinc/34/38/16/861343816.db2.gz CEBDJJKXCLIATJ-UHFFFAOYSA-N 1 1 413.521 4.452 20 5 HIBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000436136757 861429053 /nfs/dbraw/zinc/42/90/53/861429053.db2.gz TWCFMIITZVDPRC-UHFFFAOYSA-N 1 1 417.484 4.202 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008262213 845502337 /nfs/dbraw/zinc/50/23/37/845502337.db2.gz FDSHZCOAOHPUPG-HNNXBMFYSA-N 1 1 410.499 4.331 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008262213 845502343 /nfs/dbraw/zinc/50/23/43/845502343.db2.gz FDSHZCOAOHPUPG-HNNXBMFYSA-N 1 1 410.499 4.331 20 5 HIBDMO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000010351849 845649086 /nfs/dbraw/zinc/64/90/86/845649086.db2.gz CRMOZKPVNZLJOJ-ZHRRBRCNSA-N 1 1 405.454 4.310 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000016483779 846177330 /nfs/dbraw/zinc/17/73/30/846177330.db2.gz ZEFAZEPODFFWIX-INIZCTEOSA-N 1 1 405.454 4.310 20 5 HIBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCc2ccccc21 ZINC000018935224 846346239 /nfs/dbraw/zinc/34/62/39/846346239.db2.gz WVNXKVDKAAYDNS-GOSISDBHSA-N 1 1 418.291 4.305 20 5 HIBDMO CC(C)c1ccc(C[NH+]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000023229979 846674431 /nfs/dbraw/zinc/67/44/31/846674431.db2.gz MYNWBGKRWUJCBM-UHFFFAOYSA-N 1 1 421.501 4.086 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000436381672 861723765 /nfs/dbraw/zinc/72/37/65/861723765.db2.gz ARUFAYZBJNUUEQ-UHFFFAOYSA-N 1 1 408.424 4.154 20 5 HIBDMO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1c(Cl)cccc1Cl ZINC000024897058 846884439 /nfs/dbraw/zinc/88/44/39/846884439.db2.gz TVAXIXXNTNSVNS-UHFFFAOYSA-N 1 1 423.300 4.052 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000025181734 846937429 /nfs/dbraw/zinc/93/74/29/846937429.db2.gz TXZMVZUFAXPOIC-ACJLOTCBSA-N 1 1 407.923 4.148 20 5 HIBDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436426544 861784691 /nfs/dbraw/zinc/78/46/91/861784691.db2.gz XBVJUPNFIIMKII-OAHLLOKOSA-N 1 1 418.472 4.057 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828882 847626927 /nfs/dbraw/zinc/62/69/27/847626927.db2.gz QQNFSJCRSJEBPT-MRXNPFEDSA-N 1 1 408.458 4.253 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)c1 ZINC000029833151 847628741 /nfs/dbraw/zinc/62/87/41/847628741.db2.gz HBCYKWZMAIVVMG-HNNXBMFYSA-N 1 1 405.414 4.166 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000030152814 847682333 /nfs/dbraw/zinc/68/23/33/847682333.db2.gz TWKYONDORCUVJG-KBXCAEBGSA-N 1 1 413.474 4.313 20 5 HIBDMO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000032516473 848042062 /nfs/dbraw/zinc/04/20/62/848042062.db2.gz UFAWRHJGTMTCCT-IBGZPJMESA-N 1 1 417.893 4.214 20 5 HIBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036074997 848146365 /nfs/dbraw/zinc/14/63/65/848146365.db2.gz VOHLSGLYUHZFRO-GOSISDBHSA-N 1 1 408.285 4.469 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000043644151 848445263 /nfs/dbraw/zinc/44/52/63/848445263.db2.gz SLIXLZXAADEAFS-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000043644151 848445287 /nfs/dbraw/zinc/44/52/87/848445287.db2.gz SLIXLZXAADEAFS-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000045789347 848728608 /nfs/dbraw/zinc/72/86/08/848728608.db2.gz QWWHCRKPNVTKIK-GOSISDBHSA-N 1 1 410.518 4.168 20 5 HIBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046846222 848947379 /nfs/dbraw/zinc/94/73/79/848947379.db2.gz QQZDXVNMEHZDLU-OAQYLSRUSA-N 1 1 421.522 4.115 20 5 HIBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046846222 848947385 /nfs/dbraw/zinc/94/73/85/848947385.db2.gz QQZDXVNMEHZDLU-OAQYLSRUSA-N 1 1 421.522 4.115 20 5 HIBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132338 849434524 /nfs/dbraw/zinc/43/45/24/849434524.db2.gz ZIBAIEWDGFBXLQ-WIYYLYMNSA-N 1 1 408.458 4.245 20 5 HIBDMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000055855327 850181079 /nfs/dbraw/zinc/18/10/79/850181079.db2.gz FEWDFRDHZWLNKV-HSZRJFAPSA-N 1 1 405.429 4.002 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058296717 850794699 /nfs/dbraw/zinc/79/46/99/850794699.db2.gz OBYFXEBDYCLLGA-MRXNPFEDSA-N 1 1 406.486 4.381 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437037246 862225736 /nfs/dbraw/zinc/22/57/36/862225736.db2.gz BMNDKSMPLXPTQZ-IEBWSBKVSA-N 1 1 413.543 4.056 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1F ZINC000063254820 851642303 /nfs/dbraw/zinc/64/23/03/851642303.db2.gz BUQFRACQWDXXCW-UHFFFAOYSA-N 1 1 423.448 4.076 20 5 HIBDMO COc1ccc([C@H](NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)cc1 ZINC000064350033 851876903 /nfs/dbraw/zinc/87/69/03/851876903.db2.gz XICFVFYKPOXWFX-HSZRJFAPSA-N 1 1 411.502 4.081 20 5 HIBDMO COc1ccc([C@H](NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C2CC2)cc1 ZINC000064350033 851876906 /nfs/dbraw/zinc/87/69/06/851876906.db2.gz XICFVFYKPOXWFX-HSZRJFAPSA-N 1 1 411.502 4.081 20 5 HIBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000064806881 851988614 /nfs/dbraw/zinc/98/86/14/851988614.db2.gz DXCHDJCIOWMYQA-WMLDXEAASA-N 1 1 415.877 4.027 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065102901 852064060 /nfs/dbraw/zinc/06/40/60/852064060.db2.gz LLJUVIVDMALWDU-UHFFFAOYSA-N 1 1 424.526 4.489 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000065128649 852075185 /nfs/dbraw/zinc/07/51/85/852075185.db2.gz ICLXHFAYDFUUNZ-DAYGRLMNSA-N 1 1 414.531 4.196 20 5 HIBDMO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000065209187 852087181 /nfs/dbraw/zinc/08/71/81/852087181.db2.gz CVVXCNVNMVYQDT-UHFFFAOYSA-N 1 1 412.273 4.241 20 5 HIBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000065209187 852087184 /nfs/dbraw/zinc/08/71/84/852087184.db2.gz CVVXCNVNMVYQDT-UHFFFAOYSA-N 1 1 412.273 4.241 20 5 HIBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065309201 852103725 /nfs/dbraw/zinc/10/37/25/852103725.db2.gz BKNXYJHJCMAJKP-UHFFFAOYSA-N 1 1 419.466 4.142 20 5 HIBDMO C[N@@H+](Cc1ccccc1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000071872626 852423350 /nfs/dbraw/zinc/42/33/50/852423350.db2.gz DAHMRXXUZPNYPU-UHFFFAOYSA-N 1 1 417.531 4.301 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)C1 ZINC000071931704 852435267 /nfs/dbraw/zinc/43/52/67/852435267.db2.gz XGFFPBPYNKAZPM-KRWDZBQOSA-N 1 1 419.485 4.265 20 5 HIBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc2ccccc2c2cccnc12 ZINC000107527079 852772814 /nfs/dbraw/zinc/77/28/14/852772814.db2.gz OSMMKCARHKKBCE-UHFFFAOYSA-N 1 1 403.526 4.153 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000109871561 853026811 /nfs/dbraw/zinc/02/68/11/853026811.db2.gz XHXIVTYOWVNEJF-INIZCTEOSA-N 1 1 406.486 4.238 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000217230516 853861452 /nfs/dbraw/zinc/86/14/52/853861452.db2.gz HZWBXDMDQKMWMX-GUYCJALGSA-N 1 1 411.380 4.020 20 5 HIBDMO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@H](C)CS(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000236741148 853918710 /nfs/dbraw/zinc/91/87/10/853918710.db2.gz BARQFFQSMQNHIR-MRXNPFEDSA-N 1 1 420.531 4.342 20 5 HIBDMO CC[N@H+]1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236823712 853926748 /nfs/dbraw/zinc/92/67/48/853926748.db2.gz PBHJAUBUSAKARG-ZDUSSCGKSA-N 1 1 408.296 4.049 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000237200594 853981283 /nfs/dbraw/zinc/98/12/83/853981283.db2.gz VIZZKWAYJKWKFV-UHFFFAOYSA-N 1 1 408.454 4.481 20 5 HIBDMO C[C@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000237563300 854054990 /nfs/dbraw/zinc/05/49/90/854054990.db2.gz TWACOGXSNDOMGT-PXNSSMCTSA-N 1 1 417.513 4.162 20 5 HIBDMO C[C@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000237563300 854055001 /nfs/dbraw/zinc/05/50/01/854055001.db2.gz TWACOGXSNDOMGT-PXNSSMCTSA-N 1 1 417.513 4.162 20 5 HIBDMO C[C@@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000237604486 854060500 /nfs/dbraw/zinc/06/05/00/854060500.db2.gz TWACOGXSNDOMGT-XLIONFOSSA-N 1 1 417.513 4.162 20 5 HIBDMO C[C@@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000237604486 854060510 /nfs/dbraw/zinc/06/05/10/854060510.db2.gz TWACOGXSNDOMGT-XLIONFOSSA-N 1 1 417.513 4.162 20 5 HIBDMO Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237894186 854115826 /nfs/dbraw/zinc/11/58/26/854115826.db2.gz QGAGLAAOCWOOLT-QHCPKHFHSA-N 1 1 424.522 4.494 20 5 HIBDMO O=C1CCCN1Cc1ccccc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238057691 854138675 /nfs/dbraw/zinc/13/86/75/854138675.db2.gz ISTMSNLHQLASBS-UHFFFAOYSA-N 1 1 422.510 4.131 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c3cnccc23)C[C@H](C)O1 ZINC000301106929 854297839 /nfs/dbraw/zinc/29/78/39/854297839.db2.gz PYVGICOOFFNNAC-CALCHBBNSA-N 1 1 406.486 4.364 20 5 HIBDMO CCc1nc(C[NH+]2CCC(CNc3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cs1 ZINC000301223127 854331958 /nfs/dbraw/zinc/33/19/58/854331958.db2.gz AAIFGDNYRWRWBQ-UHFFFAOYSA-N 1 1 411.531 4.486 20 5 HIBDMO CC(C)NC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301229758 854334659 /nfs/dbraw/zinc/33/46/59/854334659.db2.gz DWPDUZWYWOBQPA-SEJPIABJSA-N 1 1 422.529 4.341 20 5 HIBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000301507202 854409761 /nfs/dbraw/zinc/40/97/61/854409761.db2.gz AAYVFUFCZKJLOS-NQIIRXRSSA-N 1 1 422.529 4.296 20 5 HIBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@H+]1Cc1ccccc1 ZINC000301547992 854418016 /nfs/dbraw/zinc/41/80/16/854418016.db2.gz PTCYFLGNHCPGGI-WMZOPIPTSA-N 1 1 410.474 4.016 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301596538 854426037 /nfs/dbraw/zinc/42/60/37/854426037.db2.gz SLHQHILXVLNSHH-AVRDEDQJSA-N 1 1 422.529 4.153 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301596540 854426591 /nfs/dbraw/zinc/42/65/91/854426591.db2.gz SLHQHILXVLNSHH-PGRDOPGGSA-N 1 1 422.529 4.153 20 5 HIBDMO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000301876407 854482429 /nfs/dbraw/zinc/48/24/29/854482429.db2.gz IVRILXURRCUPQS-GFCCVEGCSA-N 1 1 411.325 4.138 20 5 HIBDMO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccc(Cl)cc2)C1 ZINC000301898087 854488226 /nfs/dbraw/zinc/48/82/26/854488226.db2.gz RVEBKCDWYJUUGW-RTWAWAEBSA-N 1 1 412.877 4.280 20 5 HIBDMO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccc(Cl)cc2)C1 ZINC000301898087 854488232 /nfs/dbraw/zinc/48/82/32/854488232.db2.gz RVEBKCDWYJUUGW-RTWAWAEBSA-N 1 1 412.877 4.280 20 5 HIBDMO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccc(Cl)cc2)C1 ZINC000301898188 854488368 /nfs/dbraw/zinc/48/83/68/854488368.db2.gz RVEBKCDWYJUUGW-SFTDATJTSA-N 1 1 412.877 4.280 20 5 HIBDMO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccc(Cl)cc2)C1 ZINC000301898188 854488370 /nfs/dbraw/zinc/48/83/70/854488370.db2.gz RVEBKCDWYJUUGW-SFTDATJTSA-N 1 1 412.877 4.280 20 5 HIBDMO COc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1F ZINC000302911909 854676461 /nfs/dbraw/zinc/67/64/61/854676461.db2.gz PDUXRQIHZJJAGO-JTQLQIEISA-N 1 1 400.353 4.203 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000410155245 855841837 /nfs/dbraw/zinc/84/18/37/855841837.db2.gz AFNZMOBXVVWOEO-HDICACEKSA-N 1 1 410.518 4.072 20 5 HIBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000426565194 856350633 /nfs/dbraw/zinc/35/06/33/856350633.db2.gz MFIHBXSAMMVVOF-INIZCTEOSA-N 1 1 401.532 4.008 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)C[C@H](C)O1 ZINC000437460883 862823453 /nfs/dbraw/zinc/82/34/53/862823453.db2.gz SISUTQZFJXSSIK-HDICACEKSA-N 1 1 423.513 4.009 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)C[C@H](C)O1 ZINC000437460883 862823454 /nfs/dbraw/zinc/82/34/54/862823454.db2.gz SISUTQZFJXSSIK-HDICACEKSA-N 1 1 423.513 4.009 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)c1 ZINC000428650482 857289659 /nfs/dbraw/zinc/28/96/59/857289659.db2.gz PFWDBKLOZXOAQS-QHCPKHFHSA-N 1 1 419.481 4.061 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429158648 857535099 /nfs/dbraw/zinc/53/50/99/857535099.db2.gz CRYWEJZCMNHECX-PRXAMGSTSA-N 1 1 400.460 4.059 20 5 HIBDMO CC(C)([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429241818 857570447 /nfs/dbraw/zinc/57/04/47/857570447.db2.gz ZBPTTYAYOJCSOR-OAQYLSRUSA-N 1 1 409.511 4.387 20 5 HIBDMO COc1ccccc1-n1nccc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000430023468 858001083 /nfs/dbraw/zinc/00/10/83/858001083.db2.gz ONUPWFOJRCVWDG-UHFFFAOYSA-N 1 1 406.364 4.098 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000430228265 858089557 /nfs/dbraw/zinc/08/95/57/858089557.db2.gz RTGITULBWRZFFW-MRXNPFEDSA-N 1 1 423.469 4.437 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430639457 858244110 /nfs/dbraw/zinc/24/41/10/858244110.db2.gz FRJCNZPGDUDHGK-AOIWGVFYSA-N 1 1 413.543 4.245 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431335703 858570882 /nfs/dbraw/zinc/57/08/82/858570882.db2.gz DZRVWIZYZIHHOX-LSDHHAIUSA-N 1 1 424.339 4.084 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000431671302 858728507 /nfs/dbraw/zinc/72/85/07/858728507.db2.gz SWGFQQBPDZHWQK-FXAWDEMLSA-N 1 1 410.518 4.182 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431682652 858737289 /nfs/dbraw/zinc/73/72/89/858737289.db2.gz UGSZYNGKTQWZMI-LAUBAEHRSA-N 1 1 410.518 4.040 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000432003494 858918812 /nfs/dbraw/zinc/91/88/12/858918812.db2.gz QXJFYGZREYAIPB-AWEZNQCLSA-N 1 1 405.458 4.154 20 5 HIBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000432799892 859366518 /nfs/dbraw/zinc/36/65/18/859366518.db2.gz IPRCRJJXWDERKX-UHFFFAOYSA-N 1 1 405.882 4.246 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433303901 859627446 /nfs/dbraw/zinc/62/74/46/859627446.db2.gz MDMXNRAKHLNACE-HNNXBMFYSA-N 1 1 403.866 4.075 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000467700759 881495466 /nfs/dbraw/zinc/49/54/66/881495466.db2.gz NOODGPZGMGPWSC-CJNGLKHVSA-N 1 1 407.392 4.006 20 5 HIBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000467772066 881590851 /nfs/dbraw/zinc/59/08/51/881590851.db2.gz YEPRPFWDJHKUPN-QGZVFWFLSA-N 1 1 402.882 4.377 20 5 HIBDMO CC(C)CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438844333 864338780 /nfs/dbraw/zinc/33/87/80/864338780.db2.gz XPSTUMABDDDLEB-INIZCTEOSA-N 1 1 415.321 4.007 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000438955835 864426809 /nfs/dbraw/zinc/42/68/09/864426809.db2.gz VCNFTOKIPAXPAU-NRFANRHFSA-N 1 1 401.894 4.341 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000439869683 865177642 /nfs/dbraw/zinc/17/76/42/865177642.db2.gz JYAWNBHOTLZTMO-QGZVFWFLSA-N 1 1 412.490 4.122 20 5 HIBDMO COc1ccc(OCC[N@@H+](C)Cc2ccccc2OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000441246750 866319536 /nfs/dbraw/zinc/31/95/36/866319536.db2.gz PZTPEMAYRVLMBG-UHFFFAOYSA-N 1 1 400.353 4.013 20 5 HIBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000441265044 866340410 /nfs/dbraw/zinc/34/04/10/866340410.db2.gz YYPDKGYFUVGBPK-UHFFFAOYSA-N 1 1 400.353 4.013 20 5 HIBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441829803 866889165 /nfs/dbraw/zinc/88/91/65/866889165.db2.gz YQGZKLGNPQVFKD-HNNXBMFYSA-N 1 1 410.499 4.317 20 5 HIBDMO C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443221765 867880082 /nfs/dbraw/zinc/88/00/82/867880082.db2.gz HHIQKJISSGUATO-GRYCIOLGSA-N 1 1 409.284 4.265 20 5 HIBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 ZINC000443650899 868246013 /nfs/dbraw/zinc/24/60/13/868246013.db2.gz JJCCKYUEZATDRK-AWEZNQCLSA-N 1 1 415.421 4.142 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000443945800 868482241 /nfs/dbraw/zinc/48/22/41/868482241.db2.gz HOYCDWXIQQBCGM-UHFFFAOYSA-N 1 1 400.454 4.091 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000443945800 868482246 /nfs/dbraw/zinc/48/22/46/868482246.db2.gz HOYCDWXIQQBCGM-UHFFFAOYSA-N 1 1 400.454 4.091 20 5 HIBDMO CC1CCC([N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]2CCCO2)CC1 ZINC000444196471 868660419 /nfs/dbraw/zinc/66/04/19/868660419.db2.gz MUDPDGJDHOZUCV-GXOAENINSA-N 1 1 400.479 4.205 20 5 HIBDMO Cc1ccc(C)c([C@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[C@H](C)CO2)c1 ZINC000444199774 868661547 /nfs/dbraw/zinc/66/15/47/868661547.db2.gz SAGKRHIJXQMVLK-VGOFRKELSA-N 1 1 411.502 4.311 20 5 HIBDMO Cc1ccc(C)c([C@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[C@H](C)CO2)c1 ZINC000444199774 868661558 /nfs/dbraw/zinc/66/15/58/868661558.db2.gz SAGKRHIJXQMVLK-VGOFRKELSA-N 1 1 411.502 4.311 20 5 HIBDMO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000444255222 868701329 /nfs/dbraw/zinc/70/13/29/868701329.db2.gz YPOIXTXHFNZSRJ-QGZVFWFLSA-N 1 1 401.507 4.314 20 5 HIBDMO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000444255222 868701338 /nfs/dbraw/zinc/70/13/38/868701338.db2.gz YPOIXTXHFNZSRJ-QGZVFWFLSA-N 1 1 401.507 4.314 20 5 HIBDMO C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000444307855 868739954 /nfs/dbraw/zinc/73/99/54/868739954.db2.gz MGKXBGFMBZBIGH-SJLPKXTDSA-N 1 1 403.526 4.064 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000444656833 868934943 /nfs/dbraw/zinc/93/49/43/868934943.db2.gz IHONMWPLAKXBCZ-AWEZNQCLSA-N 1 1 422.420 4.040 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000444656833 868934949 /nfs/dbraw/zinc/93/49/49/868934949.db2.gz IHONMWPLAKXBCZ-AWEZNQCLSA-N 1 1 422.420 4.040 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000444656932 868935330 /nfs/dbraw/zinc/93/53/30/868935330.db2.gz IVIVBEOFMLZCRA-NEPJUHHUSA-N 1 1 403.389 4.017 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000444661051 868940292 /nfs/dbraw/zinc/94/02/92/868940292.db2.gz HDOWYZFWASVODY-QWHCGFSZSA-N 1 1 417.416 4.326 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444664604 868943917 /nfs/dbraw/zinc/94/39/17/868943917.db2.gz MSZCIRWKUSYZMX-RYUDHWBXSA-N 1 1 403.389 4.017 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000444803073 869017025 /nfs/dbraw/zinc/01/70/25/869017025.db2.gz NCVADBZIVTYYBG-IRXDYDNUSA-N 1 1 416.522 4.141 20 5 HIBDMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444828298 869036481 /nfs/dbraw/zinc/03/64/81/869036481.db2.gz MDQHIMZTQXCMAZ-FQEVSTJZSA-N 1 1 417.534 4.310 20 5 HIBDMO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000444829169 869037115 /nfs/dbraw/zinc/03/71/15/869037115.db2.gz XOHOEFQMCNSBSV-UHFFFAOYSA-N 1 1 411.505 4.029 20 5 HIBDMO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000444829169 869037132 /nfs/dbraw/zinc/03/71/32/869037132.db2.gz XOHOEFQMCNSBSV-UHFFFAOYSA-N 1 1 411.505 4.029 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000444897819 869086272 /nfs/dbraw/zinc/08/62/72/869086272.db2.gz GFYKJZJAYRXSRC-UHFFFAOYSA-N 1 1 424.457 4.150 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000444897819 869086278 /nfs/dbraw/zinc/08/62/78/869086278.db2.gz GFYKJZJAYRXSRC-UHFFFAOYSA-N 1 1 424.457 4.150 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445172308 869258411 /nfs/dbraw/zinc/25/84/11/869258411.db2.gz KCEBHXOAYBUIEL-FGTMMUONSA-N 1 1 403.526 4.159 20 5 HIBDMO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000445190069 869267509 /nfs/dbraw/zinc/26/75/09/869267509.db2.gz KBPRBPWNNBGXQQ-UHFFFAOYSA-N 1 1 417.553 4.410 20 5 HIBDMO CC[N@@H+](Cc1ccc(-c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)cc1)C1CC1 ZINC000445584592 869645175 /nfs/dbraw/zinc/64/51/75/869645175.db2.gz RPYIIMXEQWCFMK-UHFFFAOYSA-N 1 1 408.458 4.229 20 5 HIBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446274458 870210940 /nfs/dbraw/zinc/21/09/40/870210940.db2.gz GMDTYROZSIGGNW-UHFFFAOYSA-N 1 1 407.470 4.069 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446274458 870210942 /nfs/dbraw/zinc/21/09/42/870210942.db2.gz GMDTYROZSIGGNW-UHFFFAOYSA-N 1 1 407.470 4.069 20 5 HIBDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546334 871417087 /nfs/dbraw/zinc/41/70/87/871417087.db2.gz VARWLOBRARKCPK-VXKWHMMOSA-N 1 1 423.517 4.290 20 5 HIBDMO Cc1cc(Br)cn2cc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)nc12 ZINC000447594632 871500146 /nfs/dbraw/zinc/50/01/46/871500146.db2.gz HHECVMWPAQLOIJ-SFHVURJKSA-N 1 1 415.291 4.481 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447674020 871606501 /nfs/dbraw/zinc/60/65/01/871606501.db2.gz YIOUMKKKOVTHFM-XQQFMLRXSA-N 1 1 422.398 4.486 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448257433 872182248 /nfs/dbraw/zinc/18/22/48/872182248.db2.gz VCCVBYJMUWRTLK-RHSMWYFYSA-N 1 1 421.419 4.254 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000460494828 873180331 /nfs/dbraw/zinc/18/03/31/873180331.db2.gz ZCCRDVHKFRKQIC-NYVOZVTQSA-N 1 1 422.529 4.128 20 5 HIBDMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000468783572 882857977 /nfs/dbraw/zinc/85/79/77/882857977.db2.gz BRHZFEXYGFSFJN-UHFFFAOYSA-N 1 1 401.466 4.186 20 5 HIBDMO COc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000461602555 874734696 /nfs/dbraw/zinc/73/46/96/874734696.db2.gz MOKOPJCLDYONRM-UHFFFAOYSA-N 1 1 423.513 4.264 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462447469 875555087 /nfs/dbraw/zinc/55/50/87/875555087.db2.gz OIWTYBXOQXXGGO-ZIAGYGMSSA-N 1 1 422.938 4.016 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551165 875675804 /nfs/dbraw/zinc/67/58/04/875675804.db2.gz MKLDRZZLRSQUFK-IERDGZPVSA-N 1 1 408.527 4.328 20 5 HIBDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551165 875675811 /nfs/dbraw/zinc/67/58/11/875675811.db2.gz MKLDRZZLRSQUFK-IERDGZPVSA-N 1 1 408.527 4.328 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2)c1C ZINC000462752458 875818432 /nfs/dbraw/zinc/81/84/32/875818432.db2.gz BACSYRNLEIKFJI-UHFFFAOYSA-N 1 1 415.247 4.412 20 5 HIBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000462859171 875892261 /nfs/dbraw/zinc/89/22/61/875892261.db2.gz CJPBAHQWWQZNNP-PXNSSMCTSA-N 1 1 410.518 4.322 20 5 HIBDMO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000463058144 876086551 /nfs/dbraw/zinc/08/65/51/876086551.db2.gz YEVTXUCUPOIYDD-LJQANCHMSA-N 1 1 416.524 4.199 20 5 HIBDMO COc1cc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])cc1F ZINC000464104518 877260998 /nfs/dbraw/zinc/26/09/98/877260998.db2.gz MWGJJQQTFRZDNZ-UHFFFAOYSA-N 1 1 416.428 4.336 20 5 HIBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779243 878023186 /nfs/dbraw/zinc/02/31/86/878023186.db2.gz UIOROIHXWWPLNW-ZBFHGGJFSA-N 1 1 420.560 4.263 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503376670 912359837 /nfs/dbraw/zinc/35/98/37/912359837.db2.gz OBNRYPGFJRICHN-INIZCTEOSA-N 1 1 419.485 4.233 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1 ZINC000465183113 878572050 /nfs/dbraw/zinc/57/20/50/878572050.db2.gz HERRUPDSAJYHLY-HNNXBMFYSA-N 1 1 415.515 4.290 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000465640179 879156900 /nfs/dbraw/zinc/15/69/00/879156900.db2.gz QQODVLLBQCJBOT-UYAOXDASSA-N 1 1 410.518 4.209 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000467027136 880826670 /nfs/dbraw/zinc/82/66/70/880826670.db2.gz UHJNVEWKXSWHME-LLVKDONJSA-N 1 1 424.270 4.300 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000467223709 880953514 /nfs/dbraw/zinc/95/35/14/880953514.db2.gz GLQLNGWJSRXZPP-ROUUACIJSA-N 1 1 423.300 4.146 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000467223709 880953528 /nfs/dbraw/zinc/95/35/28/880953528.db2.gz GLQLNGWJSRXZPP-ROUUACIJSA-N 1 1 423.300 4.146 20 5 HIBDMO COC[C@H]1CCCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320740 881067787 /nfs/dbraw/zinc/06/77/87/881067787.db2.gz DMKJMJWEVUJPAR-AVRDEDQJSA-N 1 1 411.502 4.332 20 5 HIBDMO CCc1ccc([C@H]([NH2+]CCN2CCc3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000467430308 881225815 /nfs/dbraw/zinc/22/58/15/881225815.db2.gz UAFZVRIJCNHJAJ-HSZRJFAPSA-N 1 1 419.481 4.128 20 5 HIBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000470113492 884374290 /nfs/dbraw/zinc/37/42/90/884374290.db2.gz HNZNHJRZOQWVLF-UHFFFAOYSA-N 1 1 406.845 4.127 20 5 HIBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000470113492 884374306 /nfs/dbraw/zinc/37/43/06/884374306.db2.gz HNZNHJRZOQWVLF-UHFFFAOYSA-N 1 1 406.845 4.127 20 5 HIBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000470152713 884421375 /nfs/dbraw/zinc/42/13/75/884421375.db2.gz NYTDOAYLNQQNKV-JOCHJYFZSA-N 1 1 412.465 4.254 20 5 HIBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000470238449 884567417 /nfs/dbraw/zinc/56/74/17/884567417.db2.gz VGFMIIKOLOZGHM-GOSISDBHSA-N 1 1 409.486 4.191 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000470979578 885481037 /nfs/dbraw/zinc/48/10/37/885481037.db2.gz LOJPGVILMOBLKS-PKOBYXMFSA-N 1 1 411.502 4.119 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471288184 885872739 /nfs/dbraw/zinc/87/27/39/885872739.db2.gz QUSPGLHOVPCOAK-SFHVURJKSA-N 1 1 413.543 4.349 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503477 888229387 /nfs/dbraw/zinc/22/93/87/888229387.db2.gz HAVZDMOWZOPTMA-JOCHJYFZSA-N 1 1 413.905 4.377 20 5 HIBDMO COc1ccc(C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C)c(OC)c1 ZINC000474170544 889009240 /nfs/dbraw/zinc/00/92/40/889009240.db2.gz DSWIBEKWHQHUOE-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO COc1ccc(C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C)c(OC)c1 ZINC000474170544 889009255 /nfs/dbraw/zinc/00/92/55/889009255.db2.gz DSWIBEKWHQHUOE-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475170949 890036980 /nfs/dbraw/zinc/03/69/80/890036980.db2.gz BLSQQRLFQXDVPJ-GHTZIAJQSA-N 1 1 410.518 4.270 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000475221744 890089907 /nfs/dbraw/zinc/08/99/07/890089907.db2.gz ZHTUJGAKJCWVKM-UHFFFAOYSA-N 1 1 400.401 4.096 20 5 HIBDMO CCN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1c1ncc[nH]1 ZINC000475355268 890279993 /nfs/dbraw/zinc/27/99/93/890279993.db2.gz ZJRVSMRTAYOYJU-SFHVURJKSA-N 1 1 415.881 4.110 20 5 HIBDMO CCN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1c1ncc[nH]1 ZINC000475355268 890280015 /nfs/dbraw/zinc/28/00/15/890280015.db2.gz ZJRVSMRTAYOYJU-SFHVURJKSA-N 1 1 415.881 4.110 20 5 HIBDMO CCOc1cc(N2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)ccc1[N+](=O)[O-] ZINC000475487121 890394004 /nfs/dbraw/zinc/39/40/04/890394004.db2.gz NULMGKAPKFLABQ-UHFFFAOYSA-N 1 1 410.449 4.003 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000475630899 890570745 /nfs/dbraw/zinc/57/07/45/890570745.db2.gz KHUICZXEOAKDIA-FQEVSTJZSA-N 1 1 406.866 4.278 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000476984853 891910668 /nfs/dbraw/zinc/91/06/68/891910668.db2.gz NCSHXYKMZJWWRF-KRWDZBQOSA-N 1 1 413.522 4.121 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000477015820 891942898 /nfs/dbraw/zinc/94/28/98/891942898.db2.gz YPCNYNJVMUBHLT-KBPBESRZSA-N 1 1 405.882 4.319 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053521 891985007 /nfs/dbraw/zinc/98/50/07/891985007.db2.gz YPXIGHHUWTUQKX-UPVQGACJSA-N 1 1 423.513 4.476 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053521 891985036 /nfs/dbraw/zinc/98/50/36/891985036.db2.gz YPXIGHHUWTUQKX-UPVQGACJSA-N 1 1 423.513 4.476 20 5 HIBDMO COc1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000477173378 892093789 /nfs/dbraw/zinc/09/37/89/892093789.db2.gz FHACTPLWJGKSNZ-UHFFFAOYSA-N 1 1 406.385 4.200 20 5 HIBDMO COc1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000477173378 892093810 /nfs/dbraw/zinc/09/38/10/892093810.db2.gz FHACTPLWJGKSNZ-UHFFFAOYSA-N 1 1 406.385 4.200 20 5 HIBDMO CCOc1ccc([C@H](C)NCC2([NH+]3CCC(OC)CC3)CCCC2)cc1[N+](=O)[O-] ZINC000504905445 913639210 /nfs/dbraw/zinc/63/92/10/913639210.db2.gz IQQFAASPDWKCRA-KRWDZBQOSA-N 1 1 405.539 4.068 20 5 HIBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478045686 893188456 /nfs/dbraw/zinc/18/84/56/893188456.db2.gz HHZUYYHIRLJVAI-QGZVFWFLSA-N 1 1 402.520 4.260 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000478057455 893212904 /nfs/dbraw/zinc/21/29/04/893212904.db2.gz WWKZGAOLMNKFHJ-UHFFFAOYSA-N 1 1 402.882 4.162 20 5 HIBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000478063728 893224082 /nfs/dbraw/zinc/22/40/82/893224082.db2.gz TVDKLRHSVXFICA-QGZVFWFLSA-N 1 1 402.520 4.260 20 5 HIBDMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000479392258 894695837 /nfs/dbraw/zinc/69/58/37/894695837.db2.gz KYQAMDFSJQDFJZ-INIZCTEOSA-N 1 1 414.483 4.115 20 5 HIBDMO CCOc1ccc([C@H](C)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000479477063 894800456 /nfs/dbraw/zinc/80/04/56/894800456.db2.gz RJGZTBCOFVRSBI-IGEOTXOUSA-N 1 1 415.456 4.449 20 5 HIBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000479509727 894823203 /nfs/dbraw/zinc/82/32/03/894823203.db2.gz COAHKDDLKUVVHN-IUODEOHRSA-N 1 1 414.380 4.276 20 5 HIBDMO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000479629948 894896795 /nfs/dbraw/zinc/89/67/95/894896795.db2.gz VYOLIXHNJOCPAS-YLJYHZDGSA-N 1 1 411.502 4.209 20 5 HIBDMO Cc1c(CNC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479727425 895026320 /nfs/dbraw/zinc/02/63/20/895026320.db2.gz BSFJBLWAXXECDU-XLIONFOSSA-N 1 1 410.518 4.003 20 5 HIBDMO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481377627 896774378 /nfs/dbraw/zinc/77/43/78/896774378.db2.gz KPSHBLCCKKMXIF-KZULUSFZSA-N 1 1 402.838 4.164 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000481684568 897068372 /nfs/dbraw/zinc/06/83/72/897068372.db2.gz KOMUJYSZYQPDGV-GOSISDBHSA-N 1 1 410.518 4.088 20 5 HIBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481861300 897229100 /nfs/dbraw/zinc/22/91/00/897229100.db2.gz DIRFDQRPHPKVCS-UWJYYQICSA-N 1 1 413.905 4.375 20 5 HIBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481893019 897270248 /nfs/dbraw/zinc/27/02/48/897270248.db2.gz SHPGTWRCIYFYSB-FYYLOGMGSA-N 1 1 407.514 4.041 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000481983367 897377447 /nfs/dbraw/zinc/37/74/47/897377447.db2.gz KTUJQHXOSGIZJS-QUCCMNQESA-N 1 1 408.502 4.076 20 5 HIBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141623 897600072 /nfs/dbraw/zinc/60/00/72/897600072.db2.gz KCJBIMWJBYIEDD-LAUBAEHRSA-N 1 1 423.517 4.452 20 5 HIBDMO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141623 897600078 /nfs/dbraw/zinc/60/00/78/897600078.db2.gz KCJBIMWJBYIEDD-LAUBAEHRSA-N 1 1 423.517 4.452 20 5 HIBDMO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482281418 897775095 /nfs/dbraw/zinc/77/50/95/897775095.db2.gz DVUXMTWAMZZTEF-HARLFGEKSA-N 1 1 422.529 4.352 20 5 HIBDMO CCc1ccc([C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[NH2+]2)cc1 ZINC000505515697 914206451 /nfs/dbraw/zinc/20/64/51/914206451.db2.gz MXZLYYPGXQLMJH-LJQANCHMSA-N 1 1 422.510 4.067 20 5 HIBDMO CCc1ccc([C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[NH2+]2)cc1 ZINC000505564426 914269083 /nfs/dbraw/zinc/26/90/83/914269083.db2.gz DXRITQASOZLKPO-IBGZPJMESA-N 1 1 422.510 4.067 20 5 HIBDMO COc1ccc(C[N@H+](CCc2ccccn2)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000483080657 898765439 /nfs/dbraw/zinc/76/54/39/898765439.db2.gz VLJRVIUOBGASSF-UHFFFAOYSA-N 1 1 417.469 4.120 20 5 HIBDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000483080657 898765452 /nfs/dbraw/zinc/76/54/52/898765452.db2.gz VLJRVIUOBGASSF-UHFFFAOYSA-N 1 1 417.469 4.120 20 5 HIBDMO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483244293 898886810 /nfs/dbraw/zinc/88/68/10/898886810.db2.gz ZXTQPHRIAUXCEE-SJORKVTESA-N 1 1 415.559 4.475 20 5 HIBDMO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483244293 898886816 /nfs/dbraw/zinc/88/68/16/898886816.db2.gz ZXTQPHRIAUXCEE-SJORKVTESA-N 1 1 415.559 4.475 20 5 HIBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000484816663 900218092 /nfs/dbraw/zinc/21/80/92/900218092.db2.gz DEGUFGNYTCQELN-OAQYLSRUSA-N 1 1 421.522 4.115 20 5 HIBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000484816663 900218103 /nfs/dbraw/zinc/21/81/03/900218103.db2.gz DEGUFGNYTCQELN-OAQYLSRUSA-N 1 1 421.522 4.115 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000485312157 900590888 /nfs/dbraw/zinc/59/08/88/900590888.db2.gz BGHGQKFXDSQWSX-UHFFFAOYSA-N 1 1 423.448 4.102 20 5 HIBDMO CSc1cccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000485494046 900784452 /nfs/dbraw/zinc/78/44/52/900784452.db2.gz RDGDNNBUXZDWSZ-INIZCTEOSA-N 1 1 405.564 4.433 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485816542 901064326 /nfs/dbraw/zinc/06/43/26/901064326.db2.gz OMJZKZHGNADCSR-HNNXBMFYSA-N 1 1 416.909 4.307 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000485816542 901064336 /nfs/dbraw/zinc/06/43/36/901064336.db2.gz OMJZKZHGNADCSR-HNNXBMFYSA-N 1 1 416.909 4.307 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486431990 901591508 /nfs/dbraw/zinc/59/15/08/901591508.db2.gz DPXGKAIKOZEZMX-IFXJQAMLSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486431990 901591512 /nfs/dbraw/zinc/59/15/12/901591512.db2.gz DPXGKAIKOZEZMX-IFXJQAMLSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486431995 901591667 /nfs/dbraw/zinc/59/16/67/901591667.db2.gz DPXGKAIKOZEZMX-LIRRHRJNSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486431995 901591676 /nfs/dbraw/zinc/59/16/76/901591676.db2.gz DPXGKAIKOZEZMX-LIRRHRJNSA-N 1 1 405.857 4.119 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000487245150 902115893 /nfs/dbraw/zinc/11/58/93/902115893.db2.gz LPWZONFSGREAII-UHFFFAOYSA-N 1 1 401.488 4.094 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487516292 902231264 /nfs/dbraw/zinc/23/12/64/902231264.db2.gz HTXZIRGUGZEBRG-KDOFPFPSSA-N 1 1 402.882 4.280 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487847062 902404854 /nfs/dbraw/zinc/40/48/54/902404854.db2.gz ZLPORBVAYRGVEI-UEXGIBASSA-N 1 1 410.518 4.174 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488458397 902835436 /nfs/dbraw/zinc/83/54/36/902835436.db2.gz BZGDFZYJNMVWMY-HNAYVOBHSA-N 1 1 409.511 4.450 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000489319519 903329888 /nfs/dbraw/zinc/32/98/88/903329888.db2.gz GZFOQGHJUSYSFE-DNVCBOLYSA-N 1 1 416.547 4.274 20 5 HIBDMO CC[N@@H+](CC(C)(C)O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489321724 903330677 /nfs/dbraw/zinc/33/06/77/903330677.db2.gz BZADTOUCYCAIMH-GOSISDBHSA-N 1 1 405.882 4.021 20 5 HIBDMO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000490119852 903776455 /nfs/dbraw/zinc/77/64/55/903776455.db2.gz QRVJKXKBIFZYMJ-QHCPKHFHSA-N 1 1 405.454 4.441 20 5 HIBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccccc2N2CCOCC2)c2ccccc2)c1 ZINC000490190124 903817225 /nfs/dbraw/zinc/81/72/25/903817225.db2.gz GBNODUPRLCTFNU-XMMPIXPASA-N 1 1 403.482 4.311 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490252055 903855600 /nfs/dbraw/zinc/85/56/00/903855600.db2.gz UHCCBLRKYHFJMA-PMACEKPBSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490252055 903855603 /nfs/dbraw/zinc/85/56/03/903855603.db2.gz UHCCBLRKYHFJMA-PMACEKPBSA-N 1 1 403.429 4.135 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(F)c1 ZINC000491093579 904424887 /nfs/dbraw/zinc/42/48/87/904424887.db2.gz WFFHUKNRPNRBBV-ZDUSSCGKSA-N 1 1 423.370 4.175 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(F)c1 ZINC000491093579 904424908 /nfs/dbraw/zinc/42/49/08/904424908.db2.gz WFFHUKNRPNRBBV-ZDUSSCGKSA-N 1 1 423.370 4.175 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000491142556 904453405 /nfs/dbraw/zinc/45/34/05/904453405.db2.gz ZOYXLFOQRKDOLI-KRWDZBQOSA-N 1 1 405.564 4.147 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491239802 904498167 /nfs/dbraw/zinc/49/81/67/904498167.db2.gz PWIMIOPTGNMCBS-LBPRGKRZSA-N 1 1 413.446 4.083 20 5 HIBDMO Cn1cc(C[N@@H+](C)Cc2ccccc2N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506139479 914819753 /nfs/dbraw/zinc/81/97/53/914819753.db2.gz ZLFAMPMGNMFWAH-UHFFFAOYSA-N 1 1 405.502 4.228 20 5 HIBDMO C[C@H](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000491334446 904544652 /nfs/dbraw/zinc/54/46/52/904544652.db2.gz UGJPNLJPJXBMEQ-GOSISDBHSA-N 1 1 410.518 4.179 20 5 HIBDMO COCCCCCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000492168065 904809247 /nfs/dbraw/zinc/80/92/47/904809247.db2.gz LBEMDIWXAHILHX-UHFFFAOYSA-N 1 1 403.548 4.258 20 5 HIBDMO COCCCCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000492168065 904809249 /nfs/dbraw/zinc/80/92/49/904809249.db2.gz LBEMDIWXAHILHX-UHFFFAOYSA-N 1 1 403.548 4.258 20 5 HIBDMO CSc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000492727204 904894458 /nfs/dbraw/zinc/89/44/58/904894458.db2.gz HBAKGEPLGIMJIS-CQSZACIVSA-N 1 1 405.545 4.020 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)ccc1[N+](=O)[O-] ZINC000492913660 904950876 /nfs/dbraw/zinc/95/08/76/904950876.db2.gz UYUIARNGEMVCKX-GFCCVEGCSA-N 1 1 401.410 4.458 20 5 HIBDMO CC(=O)N1CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000506247642 914862652 /nfs/dbraw/zinc/86/26/52/914862652.db2.gz KVIOCKSHOOAYQN-UHFFFAOYSA-N 1 1 403.866 4.095 20 5 HIBDMO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493233459 905058954 /nfs/dbraw/zinc/05/89/54/905058954.db2.gz UVUSYGVAFJKURZ-JOCHJYFZSA-N 1 1 410.495 4.019 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000494088121 905421836 /nfs/dbraw/zinc/42/18/36/905421836.db2.gz AVHSQRHLJLKCFN-QGZVFWFLSA-N 1 1 407.580 4.441 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000494110706 905458293 /nfs/dbraw/zinc/45/82/93/905458293.db2.gz UPBYUVVKKDQYDY-OXQOHEQNSA-N 1 1 417.575 4.432 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494445462 905728387 /nfs/dbraw/zinc/72/83/87/905728387.db2.gz JIXDQAWVNXSVAK-MBSDFSHPSA-N 1 1 422.529 4.179 20 5 HIBDMO C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000494512954 905804972 /nfs/dbraw/zinc/80/49/72/905804972.db2.gz KSVGNGRBOQREIH-CQSZACIVSA-N 1 1 411.424 4.405 20 5 HIBDMO CCOc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000512494590 921199662 /nfs/dbraw/zinc/19/96/62/921199662.db2.gz QJCWTGKQIFRVCQ-LJQANCHMSA-N 1 1 417.893 4.214 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000495110319 906245913 /nfs/dbraw/zinc/24/59/13/906245913.db2.gz IUNCFRKYJGXBMT-UHFFFAOYSA-N 1 1 415.400 4.164 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000512609922 921259625 /nfs/dbraw/zinc/25/96/25/921259625.db2.gz SRFWBIXJKLKWRN-IRXDYDNUSA-N 1 1 416.522 4.198 20 5 HIBDMO CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952378 907421775 /nfs/dbraw/zinc/42/17/75/907421775.db2.gz OLCQVCKCLUPNPN-XLIONFOSSA-N 1 1 411.502 4.291 20 5 HIBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498383296 907871575 /nfs/dbraw/zinc/87/15/75/907871575.db2.gz PFMYHCOCGUAJIV-ZBFHGGJFSA-N 1 1 421.419 4.254 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1Cc1ccccc1 ZINC000498416582 907891912 /nfs/dbraw/zinc/89/19/12/907891912.db2.gz CMNCXDFGCUHLPN-PKOBYXMFSA-N 1 1 418.497 4.174 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498633725 908073901 /nfs/dbraw/zinc/07/39/01/908073901.db2.gz KFOLBFBPRGHSEG-QGZVFWFLSA-N 1 1 410.518 4.260 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498633724 908074243 /nfs/dbraw/zinc/07/42/43/908074243.db2.gz KFOLBFBPRGHSEG-KRWDZBQOSA-N 1 1 410.518 4.260 20 5 HIBDMO COc1cccc(C2(F)CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000500156716 909639508 /nfs/dbraw/zinc/63/95/08/909639508.db2.gz RHZCJUSIGYGHHM-INIZCTEOSA-N 1 1 415.465 4.200 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC000513078717 921531767 /nfs/dbraw/zinc/53/17/67/921531767.db2.gz ZXSXQFMJSFOMFY-GOSISDBHSA-N 1 1 419.481 4.497 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000500626644 909976508 /nfs/dbraw/zinc/97/65/08/909976508.db2.gz UBLJZEOVUAWCCP-PZJWPPBQSA-N 1 1 424.545 4.079 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1SC ZINC000500786413 910078385 /nfs/dbraw/zinc/07/83/85/910078385.db2.gz JVNMFHWCAIXEOP-UHFFFAOYSA-N 1 1 409.895 4.293 20 5 HIBDMO CCCn1nccc1C1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000501535188 910644412 /nfs/dbraw/zinc/64/44/12/910644412.db2.gz VRXGTHDMUMTALE-HNNXBMFYSA-N 1 1 410.478 4.192 20 5 HIBDMO Cc1cc(Br)ccc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501900790 910911817 /nfs/dbraw/zinc/91/18/17/910911817.db2.gz QJNURBSQPNPQAG-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502354428 911334946 /nfs/dbraw/zinc/33/49/46/911334946.db2.gz OKQZNCGOIAWOOX-DOTOQJQBSA-N 1 1 411.506 4.387 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000502540183 911545834 /nfs/dbraw/zinc/54/58/34/911545834.db2.gz MBEHISBLWFAUAK-QGZVFWFLSA-N 1 1 403.504 4.257 20 5 HIBDMO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502929265 911916023 /nfs/dbraw/zinc/91/60/23/911916023.db2.gz AZOGRLQEYLMWHN-MRXNPFEDSA-N 1 1 423.473 4.274 20 5 HIBDMO CCCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000506806522 915555819 /nfs/dbraw/zinc/55/58/19/915555819.db2.gz QPKHUBZIIBJDMH-OAHLLOKOSA-N 1 1 408.545 4.113 20 5 HIBDMO CCCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000506806522 915555840 /nfs/dbraw/zinc/55/58/40/915555840.db2.gz QPKHUBZIIBJDMH-OAHLLOKOSA-N 1 1 408.545 4.113 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCCc2cc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000507164782 915904172 /nfs/dbraw/zinc/90/41/72/915904172.db2.gz LBNWDIVZGZCTKZ-QGZVFWFLSA-N 1 1 422.485 4.450 20 5 HIBDMO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000508043128 916872392 /nfs/dbraw/zinc/87/23/92/916872392.db2.gz VWHIQNJQTLHCGH-UHFFFAOYSA-N 1 1 405.454 4.203 20 5 HIBDMO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000508043128 916872393 /nfs/dbraw/zinc/87/23/93/916872393.db2.gz VWHIQNJQTLHCGH-UHFFFAOYSA-N 1 1 405.454 4.203 20 5 HIBDMO COc1cc(CNCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000508101563 916918869 /nfs/dbraw/zinc/91/88/69/916918869.db2.gz JPKZPNUPDXSNNM-GOSISDBHSA-N 1 1 413.518 4.004 20 5 HIBDMO COc1cc(C[NH2+]CCN2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000508101563 916918875 /nfs/dbraw/zinc/91/88/75/916918875.db2.gz JPKZPNUPDXSNNM-GOSISDBHSA-N 1 1 413.518 4.004 20 5 HIBDMO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570289 917343417 /nfs/dbraw/zinc/34/34/17/917343417.db2.gz PDEVIYCQJJSYRV-QRWLVFNGSA-N 1 1 421.419 4.227 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](C[S@](C)=O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000508642785 917407337 /nfs/dbraw/zinc/40/73/37/917407337.db2.gz YJXQIUCGOCGTIK-SLQAJWMNSA-N 1 1 414.483 4.073 20 5 HIBDMO CCOc1ccc(C2=CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000509494236 918139955 /nfs/dbraw/zinc/13/99/55/918139955.db2.gz SWDMQCWYSNPQHV-UHFFFAOYSA-N 1 1 409.486 4.420 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000510100640 918664456 /nfs/dbraw/zinc/66/44/56/918664456.db2.gz SBDRUOAQMZMXOI-PKOBYXMFSA-N 1 1 413.543 4.104 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000510100639 918664844 /nfs/dbraw/zinc/66/48/44/918664844.db2.gz SBDRUOAQMZMXOI-MJGOQNOKSA-N 1 1 413.543 4.104 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000510149658 918705370 /nfs/dbraw/zinc/70/53/70/918705370.db2.gz SSXFOEZEZYHDEK-RDJZCZTQSA-N 1 1 401.894 4.279 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510418424 918886375 /nfs/dbraw/zinc/88/63/75/918886375.db2.gz WKJJTIPQXYDZNZ-RDTXWAMCSA-N 1 1 404.430 4.003 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510418424 918886382 /nfs/dbraw/zinc/88/63/82/918886382.db2.gz WKJJTIPQXYDZNZ-RDTXWAMCSA-N 1 1 404.430 4.003 20 5 HIBDMO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000510448156 918905382 /nfs/dbraw/zinc/90/53/82/918905382.db2.gz OQFSFGOQPTZVER-UHFFFAOYSA-N 1 1 410.518 4.053 20 5 HIBDMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000510448156 918905391 /nfs/dbraw/zinc/90/53/91/918905391.db2.gz OQFSFGOQPTZVER-UHFFFAOYSA-N 1 1 410.518 4.053 20 5 HIBDMO C[C@@H](NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000510511760 918958152 /nfs/dbraw/zinc/95/81/52/918958152.db2.gz XIGHUAYFFXEHBB-LJQANCHMSA-N 1 1 410.518 4.006 20 5 HIBDMO CCN1CC[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000510635396 919076152 /nfs/dbraw/zinc/07/61/52/919076152.db2.gz ZBPAQPXWCMJTAP-HKUYNNGSSA-N 1 1 415.362 4.215 20 5 HIBDMO COc1ccc(-c2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)cc1OC ZINC000511080978 919684418 /nfs/dbraw/zinc/68/44/18/919684418.db2.gz KXGPJMGXAGIQKQ-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO COc1ccc(-c2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)cc1OC ZINC000511080978 919684426 /nfs/dbraw/zinc/68/44/26/919684426.db2.gz KXGPJMGXAGIQKQ-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511110946 919722526 /nfs/dbraw/zinc/72/25/26/919722526.db2.gz WMZNGGJSXOTFEG-MRXNPFEDSA-N 1 1 416.547 4.280 20 5 HIBDMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511110946 919722533 /nfs/dbraw/zinc/72/25/33/919722533.db2.gz WMZNGGJSXOTFEG-MRXNPFEDSA-N 1 1 416.547 4.280 20 5 HIBDMO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125409 919737748 /nfs/dbraw/zinc/73/77/48/919737748.db2.gz NNCNFJVCHGLMMF-UHFFFAOYSA-N 1 1 409.442 4.101 20 5 HIBDMO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125409 919737760 /nfs/dbraw/zinc/73/77/60/919737760.db2.gz NNCNFJVCHGLMMF-UHFFFAOYSA-N 1 1 409.442 4.101 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511248595 919849951 /nfs/dbraw/zinc/84/99/51/919849951.db2.gz JHHJDNYUAKTCFG-JKSUJKDBSA-N 1 1 405.564 4.480 20 5 HIBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511633073 920295087 /nfs/dbraw/zinc/29/50/87/920295087.db2.gz ZGNATOKFHCQAFP-HXUWFJFHSA-N 1 1 400.475 4.183 20 5 HIBDMO CC(C)c1ccc(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000512270715 921028105 /nfs/dbraw/zinc/02/81/05/921028105.db2.gz QCESBFNNBLEGAG-UHFFFAOYSA-N 1 1 420.531 4.023 20 5 HIBDMO CC(C)c1ccc(C[N@@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000512270715 921028119 /nfs/dbraw/zinc/02/81/19/921028119.db2.gz QCESBFNNBLEGAG-UHFFFAOYSA-N 1 1 420.531 4.023 20 5 HIBDMO Cn1cc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513453741 921819366 /nfs/dbraw/zinc/81/93/66/921819366.db2.gz AIJUKUIJLXMZME-UHFFFAOYSA-N 1 1 419.529 4.092 20 5 HIBDMO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513453741 921819375 /nfs/dbraw/zinc/81/93/75/921819375.db2.gz AIJUKUIJLXMZME-UHFFFAOYSA-N 1 1 419.529 4.092 20 5 HIBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000515578755 923194945 /nfs/dbraw/zinc/19/49/45/923194945.db2.gz JKBSVJLUDLGBHQ-UHFFFAOYSA-N 1 1 419.456 4.281 20 5 HIBDMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccc(F)cc2)cc1 ZINC000516367596 923695814 /nfs/dbraw/zinc/69/58/14/923695814.db2.gz TZVFEMZUFYFZCL-QHCPKHFHSA-N 1 1 423.444 4.369 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000516588415 923803549 /nfs/dbraw/zinc/80/35/49/923803549.db2.gz GVHYRWWYSIDNEA-ZDUSSCGKSA-N 1 1 406.280 4.125 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000516588415 923803553 /nfs/dbraw/zinc/80/35/53/923803553.db2.gz GVHYRWWYSIDNEA-ZDUSSCGKSA-N 1 1 406.280 4.125 20 5 HIBDMO CC(C)[C@H](C)[N@H+]1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000517556420 924264001 /nfs/dbraw/zinc/26/40/01/924264001.db2.gz OAXSVQJNVULQBZ-AOMKIAJQSA-N 1 1 408.502 4.172 20 5 HIBDMO O=C1CCc2cc([N+](=O)[O-])c(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2N1 ZINC000517661187 926769475 /nfs/dbraw/zinc/76/94/75/926769475.db2.gz NZVGXZZOCDLNOX-YQQQUEKLSA-N 1 1 406.486 4.087 20 5 HIBDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000518581216 927361004 /nfs/dbraw/zinc/36/10/04/927361004.db2.gz AKWBTSYMUROALR-UHFFFAOYSA-N 1 1 405.882 4.496 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000518864872 927570849 /nfs/dbraw/zinc/57/08/49/927570849.db2.gz BOSUKONUHNXCJD-HSALFYBXSA-N 1 1 417.553 4.019 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CNCC[NH+]3CCCCC3)o2)c(Br)c1 ZINC000520210409 928390842 /nfs/dbraw/zinc/39/08/42/928390842.db2.gz NCKUEXIWBBRLBV-UHFFFAOYSA-N 1 1 408.296 4.193 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000520313815 928475361 /nfs/dbraw/zinc/47/53/61/928475361.db2.gz PGZDCHPIAJESMK-HNNXBMFYSA-N 1 1 420.469 4.475 20 5 HIBDMO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000520318467 928480389 /nfs/dbraw/zinc/48/03/89/928480389.db2.gz QLADGTWKGNIBSI-QGZVFWFLSA-N 1 1 415.877 4.349 20 5 HIBDMO CCC[C@]1(CO)CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000521675461 929360687 /nfs/dbraw/zinc/36/06/87/929360687.db2.gz IVONOEXMEKHGGN-GMAHTHKFSA-N 1 1 411.502 4.068 20 5 HIBDMO CCC[C@]1(CO)CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000521675461 929360705 /nfs/dbraw/zinc/36/07/05/929360705.db2.gz IVONOEXMEKHGGN-GMAHTHKFSA-N 1 1 411.502 4.068 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000524865289 929864141 /nfs/dbraw/zinc/86/41/41/929864141.db2.gz OEEGZMATYUWPRL-ZWKOTPCHSA-N 1 1 413.543 4.198 20 5 HIBDMO C[C@@H]([NH2+][C@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000524888068 929874240 /nfs/dbraw/zinc/87/42/40/929874240.db2.gz HIPPOXUNUMQYCY-XMSQKQJNSA-N 1 1 419.481 4.470 20 5 HIBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@H]1C ZINC000525358287 930194622 /nfs/dbraw/zinc/19/46/22/930194622.db2.gz JRNFIYQYSZMYFQ-XLIONFOSSA-N 1 1 410.518 4.465 20 5 HIBDMO COc1cc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531153259 930947037 /nfs/dbraw/zinc/94/70/37/930947037.db2.gz UDSXZPOVQOAEAZ-FPOVZHCZSA-N 1 1 413.518 4.145 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000531758727 931185223 /nfs/dbraw/zinc/18/52/23/931185223.db2.gz FAFMLPQNMUXNLC-RTWAWAEBSA-N 1 1 415.559 4.181 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000532215119 931356353 /nfs/dbraw/zinc/35/63/53/931356353.db2.gz WDYXRAFMHSRSJL-IRXDYDNUSA-N 1 1 400.498 4.206 20 5 HIBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000532689014 931586115 /nfs/dbraw/zinc/58/61/15/931586115.db2.gz FHPICMNDQDXYRU-MRXNPFEDSA-N 1 1 412.421 4.042 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000532718691 931607550 /nfs/dbraw/zinc/60/75/50/931607550.db2.gz YYOBQIMXHMWWCF-OAQYLSRUSA-N 1 1 421.501 4.346 20 5 HIBDMO COc1ccc(OC)c(C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)c1 ZINC000532740865 931619226 /nfs/dbraw/zinc/61/92/26/931619226.db2.gz ZKOFQGNCWUTDMN-UHFFFAOYSA-N 1 1 423.469 4.474 20 5 HIBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000532929735 931699936 /nfs/dbraw/zinc/69/99/36/931699936.db2.gz UIQBBYRKZZBLAY-GFCCVEGCSA-N 1 1 411.380 4.254 20 5 HIBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000532929735 931699940 /nfs/dbraw/zinc/69/99/40/931699940.db2.gz UIQBBYRKZZBLAY-GFCCVEGCSA-N 1 1 411.380 4.254 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](C[NH+]4CCCCCC4)C3)o2)c1 ZINC000532950081 931708512 /nfs/dbraw/zinc/70/85/12/931708512.db2.gz XUAOKHNVDMWUTK-LJQANCHMSA-N 1 1 412.534 4.380 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000532981424 931724630 /nfs/dbraw/zinc/72/46/30/931724630.db2.gz IDVMIDWLAZYBBY-UKRRQHHQSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000532981424 931724632 /nfs/dbraw/zinc/72/46/32/931724632.db2.gz IDVMIDWLAZYBBY-UKRRQHHQSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000532981425 931725048 /nfs/dbraw/zinc/72/50/48/931725048.db2.gz IDVMIDWLAZYBBY-ZFWWWQNUSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000532981425 931725053 /nfs/dbraw/zinc/72/50/53/931725053.db2.gz IDVMIDWLAZYBBY-ZFWWWQNUSA-N 1 1 403.866 4.073 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000533012935 931735907 /nfs/dbraw/zinc/73/59/07/931735907.db2.gz LBLFEOJUWRNYJL-OAHLLOKOSA-N 1 1 410.499 4.413 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000533023905 931742318 /nfs/dbraw/zinc/74/23/18/931742318.db2.gz QINRHLZDVIFPMY-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cccc(Br)c2C1 ZINC000533023905 931742326 /nfs/dbraw/zinc/74/23/26/931742326.db2.gz QINRHLZDVIFPMY-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000533250448 931818489 /nfs/dbraw/zinc/81/84/89/931818489.db2.gz JRCIQWBCXAHLGE-OAQYLSRUSA-N 1 1 401.466 4.489 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000533250448 931818491 /nfs/dbraw/zinc/81/84/91/931818491.db2.gz JRCIQWBCXAHLGE-OAQYLSRUSA-N 1 1 401.466 4.489 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000533284495 931827368 /nfs/dbraw/zinc/82/73/68/931827368.db2.gz KKQXTDFWGCVNDP-GOSISDBHSA-N 1 1 407.426 4.358 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533291793 931830096 /nfs/dbraw/zinc/83/00/96/931830096.db2.gz GCQIUMQBFRKLHC-IBGZPJMESA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533291793 931830099 /nfs/dbraw/zinc/83/00/99/931830099.db2.gz GCQIUMQBFRKLHC-IBGZPJMESA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533291793 931830103 /nfs/dbraw/zinc/83/01/03/931830103.db2.gz GCQIUMQBFRKLHC-IBGZPJMESA-N 1 1 420.513 4.389 20 5 HIBDMO CCc1ccc(C[NH+]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)s1 ZINC000534119634 932287555 /nfs/dbraw/zinc/28/75/55/932287555.db2.gz XFESJBGYUKCZMB-UHFFFAOYSA-N 1 1 412.515 4.192 20 5 HIBDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000534121264 932287782 /nfs/dbraw/zinc/28/77/82/932287782.db2.gz HIGVPJCWXAHDSO-KRWDZBQOSA-N 1 1 422.485 4.137 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534246192 932362834 /nfs/dbraw/zinc/36/28/34/932362834.db2.gz COVUEZAYXBCFCY-GOSISDBHSA-N 1 1 406.486 4.060 20 5 HIBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000534509908 932539115 /nfs/dbraw/zinc/53/91/15/932539115.db2.gz PENLHCLVVXYTGR-HSZRJFAPSA-N 1 1 421.522 4.310 20 5 HIBDMO CC(C)c1oc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)nc1-c1ccccc1 ZINC000534912284 932835542 /nfs/dbraw/zinc/83/55/42/932835542.db2.gz CJBKDTOYBSZISU-IBGZPJMESA-N 1 1 422.485 4.372 20 5 HIBDMO CC(C)c1oc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)nc1-c1ccccc1 ZINC000534912284 932835547 /nfs/dbraw/zinc/83/55/47/932835547.db2.gz CJBKDTOYBSZISU-IBGZPJMESA-N 1 1 422.485 4.372 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2)C1 ZINC000534982007 932874707 /nfs/dbraw/zinc/87/47/07/932874707.db2.gz UFWNBOPJTYLSOE-OAHLLOKOSA-N 1 1 408.458 4.049 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535800198 933395643 /nfs/dbraw/zinc/39/56/43/933395643.db2.gz VHCKWCQPXGZDKE-TZIWHRDSSA-N 1 1 412.486 4.183 20 5 HIBDMO CCOc1cc(C[N@H+]2CC[C@H](C(C)C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535799328 933395791 /nfs/dbraw/zinc/39/57/91/933395791.db2.gz LAEWTUVXSMBDFH-IBGZPJMESA-N 1 1 416.522 4.055 20 5 HIBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1c(C)noc1C ZINC000535997571 933556510 /nfs/dbraw/zinc/55/65/10/933556510.db2.gz AWTRBAPVJYWZQW-QMTHXVAHSA-N 1 1 414.384 4.286 20 5 HIBDMO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537423766 933770940 /nfs/dbraw/zinc/77/09/40/933770940.db2.gz SZCOYYCKSSJPHT-AWEZNQCLSA-N 1 1 406.471 4.150 20 5 HIBDMO COc1ccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537658770 938348514 /nfs/dbraw/zinc/34/85/14/938348514.db2.gz OZIMUAQTFOMPMK-OAQYLSRUSA-N 1 1 402.491 4.021 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537659764 938348554 /nfs/dbraw/zinc/34/85/54/938348554.db2.gz PUYSLXJSGMTQEC-NRFANRHFSA-N 1 1 402.491 4.021 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000538271555 938580385 /nfs/dbraw/zinc/58/03/85/938580385.db2.gz RIOGMERRHOXTNZ-AEFFLSMTSA-N 1 1 413.543 4.488 20 5 HIBDMO COCC1(O)CC[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000538726427 938693250 /nfs/dbraw/zinc/69/32/50/938693250.db2.gz RJIOTSQKHVKFMU-UHFFFAOYSA-N 1 1 406.866 4.014 20 5 HIBDMO CCOc1cc(C[N@H+]2CC[C@@](C)(CC)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538752572 938702841 /nfs/dbraw/zinc/70/28/41/938702841.db2.gz WVTFIAUEYHUIAG-JOCHJYFZSA-N 1 1 416.522 4.199 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000538916345 938737440 /nfs/dbraw/zinc/73/74/40/938737440.db2.gz OUOOAKWFANGPKP-UHFFFAOYSA-N 1 1 414.550 4.143 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000539327094 938842281 /nfs/dbraw/zinc/84/22/81/938842281.db2.gz UPQIPKOBVCTAAY-MRXNPFEDSA-N 1 1 403.438 4.115 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000539383436 938852460 /nfs/dbraw/zinc/85/24/60/938852460.db2.gz NHUQUTYNXDFEPH-GOSISDBHSA-N 1 1 417.893 4.214 20 5 HIBDMO CC[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540228030 939146882 /nfs/dbraw/zinc/14/68/82/939146882.db2.gz LLAQYGNOUJEFKW-FPOVZHCZSA-N 1 1 419.884 4.272 20 5 HIBDMO CC[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540228030 939146894 /nfs/dbraw/zinc/14/68/94/939146894.db2.gz LLAQYGNOUJEFKW-FPOVZHCZSA-N 1 1 419.884 4.272 20 5 HIBDMO COc1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1Br ZINC000540368965 939213088 /nfs/dbraw/zinc/21/30/88/939213088.db2.gz CCWPLTYZENRJIS-SNVBAGLBSA-N 1 1 406.236 4.358 20 5 HIBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OCC2CC2)c(F)c1 ZINC000540425159 939244114 /nfs/dbraw/zinc/24/41/14/939244114.db2.gz WEUGGVSYUBSLIF-CYBMUJFWSA-N 1 1 402.422 4.240 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)cc1OC ZINC000541057540 939444369 /nfs/dbraw/zinc/44/43/69/939444369.db2.gz OUWYSTIWSXQXRM-HOCLYGCPSA-N 1 1 418.494 4.099 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)cc1OC ZINC000541057540 939444374 /nfs/dbraw/zinc/44/43/74/939444374.db2.gz OUWYSTIWSXQXRM-HOCLYGCPSA-N 1 1 418.494 4.099 20 5 HIBDMO COc1cc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1 ZINC000541071917 939450499 /nfs/dbraw/zinc/45/04/99/939450499.db2.gz CMGVMXHRDJJLCZ-UHFFFAOYSA-N 1 1 405.882 4.342 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3cc(C)[nH]n3)CC2)cc1OC ZINC000541122821 939468687 /nfs/dbraw/zinc/46/86/87/939468687.db2.gz SDJFXLCOILMAOH-HNNXBMFYSA-N 1 1 416.522 4.439 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)cc1OC ZINC000541122821 939468699 /nfs/dbraw/zinc/46/86/99/939468699.db2.gz SDJFXLCOILMAOH-HNNXBMFYSA-N 1 1 416.522 4.439 20 5 HIBDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541166571 939483968 /nfs/dbraw/zinc/48/39/68/939483968.db2.gz JHNFRTRFDWBZSM-RDJZCZTQSA-N 1 1 408.861 4.059 20 5 HIBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541166571 939483969 /nfs/dbraw/zinc/48/39/69/939483969.db2.gz JHNFRTRFDWBZSM-RDJZCZTQSA-N 1 1 408.861 4.059 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000541263053 939488285 /nfs/dbraw/zinc/48/82/85/939488285.db2.gz VADFFENWOFMFBJ-PKOBYXMFSA-N 1 1 413.543 4.198 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542478997 939830277 /nfs/dbraw/zinc/83/02/77/939830277.db2.gz LTANGXWCWDFUOI-AVRDEDQJSA-N 1 1 414.433 4.008 20 5 HIBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542661216 939852277 /nfs/dbraw/zinc/85/22/77/939852277.db2.gz PRVLNDVZVLPDGY-QGZVFWFLSA-N 1 1 405.564 4.291 20 5 HIBDMO COc1ccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000542959640 939886146 /nfs/dbraw/zinc/88/61/46/939886146.db2.gz DNBWTVYVCFGSGQ-INIZCTEOSA-N 1 1 404.511 4.112 20 5 HIBDMO CCc1ccc([C@@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403860 940053452 /nfs/dbraw/zinc/05/34/52/940053452.db2.gz WZNBSUILICIGGF-KKSFZXQISA-N 1 1 410.449 4.242 20 5 HIBDMO CCc1ccc([C@H](NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422829 940060078 /nfs/dbraw/zinc/06/00/78/940060078.db2.gz NOWLQDYXOXYJKH-IEGUWTFLSA-N 1 1 415.534 4.319 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000543642583 940146889 /nfs/dbraw/zinc/14/68/89/940146889.db2.gz SIBVYYMVVRUZJO-NVXWUHKLSA-N 1 1 400.454 4.156 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1OC ZINC000543813619 940194765 /nfs/dbraw/zinc/19/47/65/940194765.db2.gz GPXBXTNFUMKAGU-VQIMIIECSA-N 1 1 406.523 4.419 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544398975 940411903 /nfs/dbraw/zinc/41/19/03/940411903.db2.gz JHDNBQRHHUADPO-MJGOQNOKSA-N 1 1 413.493 4.208 20 5 HIBDMO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(C)noc1C ZINC000544459059 940439850 /nfs/dbraw/zinc/43/98/50/940439850.db2.gz WKIBASQMAKKHRN-HNNXBMFYSA-N 1 1 415.475 4.003 20 5 HIBDMO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544551472 940477612 /nfs/dbraw/zinc/47/76/12/940477612.db2.gz ASGOQSCKELDABM-YXKWSERDSA-N 1 1 405.857 4.052 20 5 HIBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544551472 940477617 /nfs/dbraw/zinc/47/76/17/940477617.db2.gz ASGOQSCKELDABM-YXKWSERDSA-N 1 1 405.857 4.052 20 5 HIBDMO C[N@H+]1CCCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2Cl)CC1 ZINC000545068194 940538701 /nfs/dbraw/zinc/53/87/01/940538701.db2.gz HWWULUCUTDTCTG-UHFFFAOYSA-N 1 1 413.865 4.107 20 5 HIBDMO CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545560066 940574651 /nfs/dbraw/zinc/57/46/51/940574651.db2.gz RCSVXVXGGSBKHE-QHCPKHFHSA-N 1 1 419.529 4.092 20 5 HIBDMO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545560066 940574652 /nfs/dbraw/zinc/57/46/52/940574652.db2.gz RCSVXVXGGSBKHE-QHCPKHFHSA-N 1 1 419.529 4.092 20 5 HIBDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545560066 940574653 /nfs/dbraw/zinc/57/46/53/940574653.db2.gz RCSVXVXGGSBKHE-QHCPKHFHSA-N 1 1 419.529 4.092 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC3(CCOCC3)C2)cc1OC ZINC000563988105 945337768 /nfs/dbraw/zinc/33/77/68/945337768.db2.gz OSFUBTJXPTYNBJ-QGZVFWFLSA-N 1 1 406.523 4.421 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CC3)cs2)c1 ZINC000546268271 940753501 /nfs/dbraw/zinc/75/35/01/940753501.db2.gz RSBUOPYKYGIALK-NRFANRHFSA-N 1 1 409.511 4.491 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)cs2)c1 ZINC000546268271 940753505 /nfs/dbraw/zinc/75/35/05/940753505.db2.gz RSBUOPYKYGIALK-NRFANRHFSA-N 1 1 409.511 4.491 20 5 HIBDMO COc1cc(C[N@H+]2CCOCC3(CCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546972939 940931557 /nfs/dbraw/zinc/93/15/57/940931557.db2.gz BFORTBFWPLDYOO-UHFFFAOYSA-N 1 1 412.486 4.185 20 5 HIBDMO COc1ccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C2CC2)c(OC)c1 ZINC000549187027 941169575 /nfs/dbraw/zinc/16/95/75/941169575.db2.gz FAWQWGUAOCDAFB-AWEZNQCLSA-N 1 1 410.474 4.289 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C2CC2)c(OC)c1 ZINC000549187027 941169577 /nfs/dbraw/zinc/16/95/77/941169577.db2.gz FAWQWGUAOCDAFB-AWEZNQCLSA-N 1 1 410.474 4.289 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000549298937 941178078 /nfs/dbraw/zinc/17/80/78/941178078.db2.gz DLROCKNTEKQFQS-MJGOQNOKSA-N 1 1 411.502 4.119 20 5 HIBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549364756 941182954 /nfs/dbraw/zinc/18/29/54/941182954.db2.gz PGRRQCBYZFXVAQ-MRXNPFEDSA-N 1 1 411.380 4.164 20 5 HIBDMO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000549723271 941205705 /nfs/dbraw/zinc/20/57/05/941205705.db2.gz VCWZUHXHQXXZJF-INIZCTEOSA-N 1 1 421.419 4.180 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000551822264 941553251 /nfs/dbraw/zinc/55/32/51/941553251.db2.gz BBJPDPCRBWKZJM-JRTNDBBKSA-N 1 1 422.529 4.276 20 5 HIBDMO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000552058450 941576332 /nfs/dbraw/zinc/57/63/32/941576332.db2.gz JZNVZCKPKXVDGL-FFZOFVMBSA-N 1 1 408.458 4.086 20 5 HIBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000552064097 941578001 /nfs/dbraw/zinc/57/80/01/941578001.db2.gz XJSTXDYETYBYPJ-KUHUBIRLSA-N 1 1 400.866 4.128 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552066556 941578354 /nfs/dbraw/zinc/57/83/54/941578354.db2.gz NTHQXBZOAGUXSL-FDFHNCONSA-N 1 1 420.513 4.391 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000552067150 941578429 /nfs/dbraw/zinc/57/84/29/941578429.db2.gz AIXCNBJQGDEKJU-HXUWFJFHSA-N 1 1 400.429 4.308 20 5 HIBDMO COc1cc(C[N@@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552300470 941626771 /nfs/dbraw/zinc/62/67/71/941626771.db2.gz IZCNQYIMGVIKEM-INIZCTEOSA-N 1 1 408.442 4.118 20 5 HIBDMO COc1cc(C[N@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552300470 941626774 /nfs/dbraw/zinc/62/67/74/941626774.db2.gz IZCNQYIMGVIKEM-INIZCTEOSA-N 1 1 408.442 4.118 20 5 HIBDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553027137 941819710 /nfs/dbraw/zinc/81/97/10/941819710.db2.gz OPVPWGPQOVFWAY-KRWDZBQOSA-N 1 1 405.882 4.070 20 5 HIBDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553073356 941828440 /nfs/dbraw/zinc/82/84/40/941828440.db2.gz LNPJPLPWCMVRFJ-GFCCVEGCSA-N 1 1 403.895 4.136 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC000553295252 941862150 /nfs/dbraw/zinc/86/21/50/941862150.db2.gz PVMFOSQFKLLSQH-YOFSQIOKSA-N 1 1 408.502 4.217 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553459703 941889023 /nfs/dbraw/zinc/88/90/23/941889023.db2.gz KGGXBHHZPWTGHX-QFIPXVFZSA-N 1 1 413.905 4.295 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000554834745 942273042 /nfs/dbraw/zinc/27/30/42/942273042.db2.gz KHUGEXUGQMWTFQ-AWEZNQCLSA-N 1 1 420.307 4.167 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000554834745 942273045 /nfs/dbraw/zinc/27/30/45/942273045.db2.gz KHUGEXUGQMWTFQ-AWEZNQCLSA-N 1 1 420.307 4.167 20 5 HIBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000554894323 942310895 /nfs/dbraw/zinc/31/08/95/942310895.db2.gz GBNFBOIWSZIOIB-FQEVSTJZSA-N 1 1 412.490 4.026 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000555527610 942628658 /nfs/dbraw/zinc/62/86/58/942628658.db2.gz IWTCOLKCDSTNGL-FQEVSTJZSA-N 1 1 408.420 4.431 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000555527610 942628675 /nfs/dbraw/zinc/62/86/75/942628675.db2.gz IWTCOLKCDSTNGL-FQEVSTJZSA-N 1 1 408.420 4.431 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556857137 942941252 /nfs/dbraw/zinc/94/12/52/942941252.db2.gz AGJVUEBXEFUHFI-JOCHJYFZSA-N 1 1 407.518 4.048 20 5 HIBDMO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000557229512 943056725 /nfs/dbraw/zinc/05/67/25/943056725.db2.gz SDKGQVHBZHFGLZ-HXUWFJFHSA-N 1 1 409.530 4.291 20 5 HIBDMO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000557229510 943056758 /nfs/dbraw/zinc/05/67/58/943056758.db2.gz SDKGQVHBZHFGLZ-FQEVSTJZSA-N 1 1 409.530 4.291 20 5 HIBDMO C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000557460014 943140685 /nfs/dbraw/zinc/14/06/85/943140685.db2.gz SBGPNTBAZHVEJX-YWZLYKJASA-N 1 1 411.433 4.078 20 5 HIBDMO CC(C)(C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000557460098 943141142 /nfs/dbraw/zinc/14/11/42/943141142.db2.gz UKSDUAGYVKNNIH-FQEVSTJZSA-N 1 1 407.470 4.113 20 5 HIBDMO CC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCCO2 ZINC000557483779 943160659 /nfs/dbraw/zinc/16/06/59/943160659.db2.gz UVTROGVAYKKKSG-GUYCJALGSA-N 1 1 410.430 4.218 20 5 HIBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000557632150 943240110 /nfs/dbraw/zinc/24/01/10/943240110.db2.gz XLPRXHFZMFSAJO-OAQYLSRUSA-N 1 1 409.515 4.092 20 5 HIBDMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739062 943636165 /nfs/dbraw/zinc/63/61/65/943636165.db2.gz BNHGIVMXRQQLQX-MRXNPFEDSA-N 1 1 416.547 4.280 20 5 HIBDMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739062 943636167 /nfs/dbraw/zinc/63/61/67/943636167.db2.gz BNHGIVMXRQQLQX-MRXNPFEDSA-N 1 1 416.547 4.280 20 5 HIBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000560072139 944149460 /nfs/dbraw/zinc/14/94/60/944149460.db2.gz XYUDTGIOOQLINW-OAHLLOKOSA-N 1 1 414.483 4.499 20 5 HIBDMO Cc1cc(Cl)ccc1OCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560531248 944244906 /nfs/dbraw/zinc/24/49/06/944244906.db2.gz ZGYGKHHEWGMTKL-FQEVSTJZSA-N 1 1 414.893 4.438 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000560548554 944249655 /nfs/dbraw/zinc/24/96/55/944249655.db2.gz IPBTWXAOZRLZSY-OAQYLSRUSA-N 1 1 423.904 4.395 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000561350178 944559933 /nfs/dbraw/zinc/55/99/33/944559933.db2.gz IMCHFNHIZORTFR-CQSZACIVSA-N 1 1 409.408 4.424 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000561350178 944559938 /nfs/dbraw/zinc/55/99/38/944559938.db2.gz IMCHFNHIZORTFR-CQSZACIVSA-N 1 1 409.408 4.424 20 5 HIBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)C1 ZINC000561773931 944790805 /nfs/dbraw/zinc/79/08/05/944790805.db2.gz PKFKOUASNOELDQ-OAQYLSRUSA-N 1 1 415.877 4.208 20 5 HIBDMO Cc1cccc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000564242300 945458336 /nfs/dbraw/zinc/45/83/36/945458336.db2.gz IPKHNFFPMIUNAI-UHFFFAOYSA-N 1 1 408.527 4.345 20 5 HIBDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000566574315 946043402 /nfs/dbraw/zinc/04/34/02/946043402.db2.gz DOLAKSPJAVRBMH-UHFFFAOYSA-N 1 1 406.364 4.338 20 5 HIBDMO O=[N+]([O-])c1ccc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC(F)F ZINC000567436378 946341021 /nfs/dbraw/zinc/34/10/21/946341021.db2.gz YYPRMTIZANAYJI-IAGOWNOFSA-N 1 1 403.429 4.155 20 5 HIBDMO C[C@H]1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1Cc1ccccc1 ZINC000568912228 946747792 /nfs/dbraw/zinc/74/77/92/946747792.db2.gz VULRSSFNSKYELC-HRAATJIYSA-N 1 1 408.527 4.471 20 5 HIBDMO C[C@H]1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 ZINC000568912228 946747808 /nfs/dbraw/zinc/74/78/08/946747808.db2.gz VULRSSFNSKYELC-HRAATJIYSA-N 1 1 408.527 4.471 20 5 HIBDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569412065 946871306 /nfs/dbraw/zinc/87/13/06/946871306.db2.gz IRTWIMAVHLNNEE-MRXNPFEDSA-N 1 1 411.243 4.178 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000570585308 947303494 /nfs/dbraw/zinc/30/34/94/947303494.db2.gz OXUFZBUWFSSDSI-HXUWFJFHSA-N 1 1 421.501 4.035 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCCO)Cc3ccccn3)o2)c(Cl)c1 ZINC000571448432 947653627 /nfs/dbraw/zinc/65/36/27/947653627.db2.gz GOSBGPPZZTUPTI-UHFFFAOYSA-N 1 1 401.850 4.288 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCCO)Cc3ccccn3)o2)c(Cl)c1 ZINC000571448432 947653637 /nfs/dbraw/zinc/65/36/37/947653637.db2.gz GOSBGPPZZTUPTI-UHFFFAOYSA-N 1 1 401.850 4.288 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@]2(C)CCCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000572802293 948014995 /nfs/dbraw/zinc/01/49/95/948014995.db2.gz ZFVBMKMDOCDTNY-HSZRJFAPSA-N 1 1 414.502 4.309 20 5 HIBDMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000572867327 948026081 /nfs/dbraw/zinc/02/60/81/948026081.db2.gz MQMGWQRRLWLNNW-UHFFFAOYSA-N 1 1 421.856 4.007 20 5 HIBDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000573590993 948244339 /nfs/dbraw/zinc/24/43/39/948244339.db2.gz ZOGCAEALKSXVCF-QGZVFWFLSA-N 1 1 408.458 4.108 20 5 HIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164618515 719074973 /nfs/dbraw/zinc/07/49/73/719074973.db2.gz AZJJVKYEHZFTDL-GDBMZVCRSA-N 1 1 407.301 4.397 20 5 HIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629278 719113471 /nfs/dbraw/zinc/11/34/71/719113471.db2.gz RROKHARORBDKHE-JXFKEZNVSA-N 1 1 423.904 4.292 20 5 HIBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722513 720372208 /nfs/dbraw/zinc/37/22/08/720372208.db2.gz DBPXKONELMSZKZ-MSOLQXFVSA-N 1 1 409.877 4.045 20 5 HIBDMO CC(C)(C)CC[NH+]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000436156545 861457623 /nfs/dbraw/zinc/45/76/23/861457623.db2.gz VDBWBFLTXZGMQY-UHFFFAOYSA-N 1 1 409.505 4.014 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436157806 861457700 /nfs/dbraw/zinc/45/77/00/861457700.db2.gz XDOHQNIPPRIDFP-CALCHBBNSA-N 1 1 405.542 4.168 20 5 HIBDMO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000010351664 845648981 /nfs/dbraw/zinc/64/89/81/845648981.db2.gz HKQJZWDCSQUUQP-OPAMFIHVSA-N 1 1 405.454 4.310 20 5 HIBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436295545 861600411 /nfs/dbraw/zinc/60/04/11/861600411.db2.gz RLPJXLOJSVTCJL-INIZCTEOSA-N 1 1 409.505 4.205 20 5 HIBDMO COc1ccc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000011172687 845762868 /nfs/dbraw/zinc/76/28/68/845762868.db2.gz GOLLWNIRKXFLMK-UHFFFAOYSA-N 1 1 409.408 4.335 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c2ccncc21 ZINC000011512062 845806695 /nfs/dbraw/zinc/80/66/95/845806695.db2.gz BPLSYOLCXLDWCK-UHFFFAOYSA-N 1 1 416.403 4.484 20 5 HIBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000018941761 846347662 /nfs/dbraw/zinc/34/76/62/846347662.db2.gz KFCVHUFYVALGPE-CQSZACIVSA-N 1 1 410.499 4.411 20 5 HIBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000021918308 846510923 /nfs/dbraw/zinc/51/09/23/846510923.db2.gz PAKPGBWKPFOMED-UHFFFAOYSA-N 1 1 406.280 4.208 20 5 HIBDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000023188164 846667322 /nfs/dbraw/zinc/66/73/22/846667322.db2.gz WUOAUFIVEFCKLD-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025461640 846981733 /nfs/dbraw/zinc/98/17/33/846981733.db2.gz NFKPTHSGIHWVGG-MRXNPFEDSA-N 1 1 413.543 4.029 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000026224852 847106302 /nfs/dbraw/zinc/10/63/02/847106302.db2.gz FQMHYSHAKDMCDE-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(Br)s1 ZINC000026250974 847112216 /nfs/dbraw/zinc/11/22/16/847112216.db2.gz XBKYYGJQIJOXJG-UHFFFAOYSA-N 1 1 412.309 4.188 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000029638181 847593134 /nfs/dbraw/zinc/59/31/34/847593134.db2.gz PNEWNRNFYZNYDY-UHFFFAOYSA-N 1 1 406.533 4.402 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000030331520 847703300 /nfs/dbraw/zinc/70/33/00/847703300.db2.gz YVKWFCIZKWYOTK-UHFFFAOYSA-N 1 1 417.531 4.469 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000051469295 849473325 /nfs/dbraw/zinc/47/33/25/849473325.db2.gz OCOQFRCQOSJJOT-UHFFFAOYSA-N 1 1 416.547 4.302 20 5 HIBDMO O=C(c1ccccc1)c1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000052447759 849583402 /nfs/dbraw/zinc/58/34/02/849583402.db2.gz OKZHEVONCHTJKM-UHFFFAOYSA-N 1 1 416.481 4.297 20 5 HIBDMO CCc1cc(NCc2ccc(-n3cc[nH+]c3C)nc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053575309 849733709 /nfs/dbraw/zinc/73/37/09/849733709.db2.gz WGPJAXUSPPFUNK-UHFFFAOYSA-N 1 1 415.457 4.115 20 5 HIBDMO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000055941512 850210508 /nfs/dbraw/zinc/21/05/08/850210508.db2.gz IHPSGIVCYGDKNH-AOMKIAJQSA-N 1 1 405.454 4.310 20 5 HIBDMO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000060693633 851193508 /nfs/dbraw/zinc/19/35/08/851193508.db2.gz BKOXIFCGVHPZKJ-MOPGFXCFSA-N 1 1 416.566 4.073 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437037248 862225314 /nfs/dbraw/zinc/22/53/14/862225314.db2.gz BMNDKSMPLXPTQZ-MJGOQNOKSA-N 1 1 413.543 4.056 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000437046565 862239207 /nfs/dbraw/zinc/23/92/07/862239207.db2.gz NPDBNQWSFHBNPW-RDTXWAMCSA-N 1 1 421.419 4.397 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000063493943 851702467 /nfs/dbraw/zinc/70/24/67/851702467.db2.gz UUFXXWWSGDXCPN-QHCPKHFHSA-N 1 1 404.470 4.139 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000063493943 851702471 /nfs/dbraw/zinc/70/24/71/851702471.db2.gz UUFXXWWSGDXCPN-QHCPKHFHSA-N 1 1 404.470 4.139 20 5 HIBDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000064143100 851834363 /nfs/dbraw/zinc/83/43/63/851834363.db2.gz GWOVJRSMFYROLZ-LBPRGKRZSA-N 1 1 417.849 4.141 20 5 HIBDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000064143100 851834366 /nfs/dbraw/zinc/83/43/66/851834366.db2.gz GWOVJRSMFYROLZ-LBPRGKRZSA-N 1 1 417.849 4.141 20 5 HIBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)cc1 ZINC000109870368 853025998 /nfs/dbraw/zinc/02/59/98/853025998.db2.gz UJZMQYJUGAYGPC-UHFFFAOYSA-N 1 1 406.486 4.158 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000112654568 853236698 /nfs/dbraw/zinc/23/66/98/853236698.db2.gz BMUGVBMFJUJULZ-OAQYLSRUSA-N 1 1 417.481 4.063 20 5 HIBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000150249074 853641681 /nfs/dbraw/zinc/64/16/81/853641681.db2.gz KZKXAODURTUKMT-HXUWFJFHSA-N 1 1 413.474 4.086 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000164574415 853648448 /nfs/dbraw/zinc/64/84/48/853648448.db2.gz BXXOURWWAXSUOX-QHCPKHFHSA-N 1 1 404.470 4.139 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000164574415 853648457 /nfs/dbraw/zinc/64/84/57/853648457.db2.gz BXXOURWWAXSUOX-QHCPKHFHSA-N 1 1 404.470 4.139 20 5 HIBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000195732676 853784333 /nfs/dbraw/zinc/78/43/33/853784333.db2.gz HCVOOTJMEZWNQQ-KSSFIOAISA-N 1 1 412.408 4.436 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccccc1 ZINC000237121834 853967945 /nfs/dbraw/zinc/96/79/45/853967945.db2.gz MUGYYKVXQSWODG-UHFFFAOYSA-N 1 1 408.454 4.481 20 5 HIBDMO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237520703 854049636 /nfs/dbraw/zinc/04/96/36/854049636.db2.gz NAJDZOXMYJHODT-SFHVURJKSA-N 1 1 419.529 4.311 20 5 HIBDMO C[C@@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000237603941 854060462 /nfs/dbraw/zinc/06/04/62/854060462.db2.gz TWACOGXSNDOMGT-YLJYHZDGSA-N 1 1 417.513 4.162 20 5 HIBDMO C[C@@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000237603941 854060468 /nfs/dbraw/zinc/06/04/68/854060468.db2.gz TWACOGXSNDOMGT-YLJYHZDGSA-N 1 1 417.513 4.162 20 5 HIBDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-n2cncn2)cc1 ZINC000237641550 854066814 /nfs/dbraw/zinc/06/68/14/854066814.db2.gz ZNXFLCQMEUHPMQ-AWEZNQCLSA-N 1 1 406.471 4.150 20 5 HIBDMO Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000237797425 854098777 /nfs/dbraw/zinc/09/87/77/854098777.db2.gz UNAQJMDTUATDAG-QFIPXVFZSA-N 1 1 410.495 4.186 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)c3ccccc3)o2)c(Br)c1 ZINC000237970956 854127678 /nfs/dbraw/zinc/12/76/78/854127678.db2.gz NLEFDSVKUDAXEJ-SFHVURJKSA-N 1 1 417.259 4.441 20 5 HIBDMO Cc1nc(C[NH+]2CCC(CNc3ccc(Br)cc3[N+](=O)[O-])CC2)oc1C ZINC000301254532 854340463 /nfs/dbraw/zinc/34/04/63/854340463.db2.gz NINVYWAWBJTMEY-UHFFFAOYSA-N 1 1 423.311 4.286 20 5 HIBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@@H]1c1cccs1 ZINC000301449138 854396830 /nfs/dbraw/zinc/39/68/30/854396830.db2.gz WROXVCAMOGKOQZ-AUUYWEPGSA-N 1 1 416.503 4.108 20 5 HIBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1Cc1ccccc1 ZINC000301509159 854409698 /nfs/dbraw/zinc/40/96/98/854409698.db2.gz ASASWUMNQBYCSW-ZFWWWQNUSA-N 1 1 405.296 4.217 20 5 HIBDMO CN1CC[NH+](C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc2)CC1 ZINC000301861910 854478352 /nfs/dbraw/zinc/47/83/52/854478352.db2.gz LCSYVZDFEVJKOX-NRFANRHFSA-N 1 1 417.513 4.057 20 5 HIBDMO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccc(Cl)cc2)C1 ZINC000301898085 854488374 /nfs/dbraw/zinc/48/83/74/854488374.db2.gz RVEBKCDWYJUUGW-LEWJYISDSA-N 1 1 412.877 4.280 20 5 HIBDMO C[N@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccc(Cl)cc2)C1 ZINC000301898085 854488376 /nfs/dbraw/zinc/48/83/76/854488376.db2.gz RVEBKCDWYJUUGW-LEWJYISDSA-N 1 1 412.877 4.280 20 5 HIBDMO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](Cc4cc(Cl)cc(Cl)c4)CC3)nn21 ZINC000302116809 854532524 /nfs/dbraw/zinc/53/25/24/854532524.db2.gz CIEGICOEYSCQKQ-UHFFFAOYSA-N 1 1 421.288 4.021 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1OCc1ccccc1 ZINC000302169192 854541725 /nfs/dbraw/zinc/54/17/25/854541725.db2.gz LCPJWMPUNLRIFM-ICSRJNTNSA-N 1 1 408.502 4.022 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303737921 855163089 /nfs/dbraw/zinc/16/30/89/855163089.db2.gz HILGPDNOZIEOMK-YJBOKZPZSA-N 1 1 401.894 4.373 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000303746244 855168098 /nfs/dbraw/zinc/16/80/98/855168098.db2.gz KBNFZHCDCMAABJ-XXBNENTESA-N 1 1 424.545 4.298 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000303775425 855191007 /nfs/dbraw/zinc/19/10/07/855191007.db2.gz JXLQTEVBKFDOPW-AWEZNQCLSA-N 1 1 405.882 4.148 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000410158043 855843583 /nfs/dbraw/zinc/84/35/83/855843583.db2.gz OINMGURFALRZLA-HDICACEKSA-N 1 1 410.518 4.072 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410344052 855939459 /nfs/dbraw/zinc/93/94/59/855939459.db2.gz JPJULGSTCDRBDO-INIZCTEOSA-N 1 1 412.490 4.300 20 5 HIBDMO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462697 856303636 /nfs/dbraw/zinc/30/36/36/856303636.db2.gz RVMULIXCQXUCFP-FYYLOGMGSA-N 1 1 411.502 4.068 20 5 HIBDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462697 856303645 /nfs/dbraw/zinc/30/36/45/856303645.db2.gz RVMULIXCQXUCFP-FYYLOGMGSA-N 1 1 411.502 4.068 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCc3ccccc3)[C@H]3CCOC3)o2)c1 ZINC000437493517 862850921 /nfs/dbraw/zinc/85/09/21/862850921.db2.gz IHVGGFCGBKWIBS-NRFANRHFSA-N 1 1 407.470 4.126 20 5 HIBDMO CC(C)(O)C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000428403362 857192126 /nfs/dbraw/zinc/19/21/26/857192126.db2.gz AKYJGBPLXFOJNY-UHFFFAOYSA-N 1 1 406.486 4.183 20 5 HIBDMO CCOC1(C)CC[NH+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000428722747 857309945 /nfs/dbraw/zinc/30/99/45/857309945.db2.gz YBAKEFKDDNJKIC-NRFANRHFSA-N 1 1 411.502 4.474 20 5 HIBDMO Cc1cc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000429241153 857570559 /nfs/dbraw/zinc/57/05/59/857570559.db2.gz ZPHGMLBICNTHOB-UHFFFAOYSA-N 1 1 406.280 4.129 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430937091 858375789 /nfs/dbraw/zinc/37/57/89/858375789.db2.gz ZBGKRDFMUZPVNF-LAUBAEHRSA-N 1 1 422.485 4.430 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430937091 858375799 /nfs/dbraw/zinc/37/57/99/858375799.db2.gz ZBGKRDFMUZPVNF-LAUBAEHRSA-N 1 1 422.485 4.430 20 5 HIBDMO CC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000431692904 858743484 /nfs/dbraw/zinc/74/34/84/858743484.db2.gz QUYIMEANFUOTLL-AGHHOFFYSA-N 1 1 410.518 4.398 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432029178 858938346 /nfs/dbraw/zinc/93/83/46/858938346.db2.gz BEKYTKUPOPOOLJ-IBGZPJMESA-N 1 1 419.428 4.437 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432029179 858938834 /nfs/dbraw/zinc/93/88/34/858938834.db2.gz BEKYTKUPOPOOLJ-LJQANCHMSA-N 1 1 419.428 4.437 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432039310 858944578 /nfs/dbraw/zinc/94/45/78/858944578.db2.gz VGTSRZOIYAMPJG-LSDHHAIUSA-N 1 1 410.499 4.447 20 5 HIBDMO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435290145 860721487 /nfs/dbraw/zinc/72/14/87/860721487.db2.gz JWUSNPZIPXMMCT-LJQANCHMSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435296757 860724896 /nfs/dbraw/zinc/72/48/96/860724896.db2.gz HNAJSRYMUUZROX-HXUWFJFHSA-N 1 1 419.485 4.107 20 5 HIBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000467772063 881589705 /nfs/dbraw/zinc/58/97/05/881589705.db2.gz YEPRPFWDJHKUPN-KRWDZBQOSA-N 1 1 402.882 4.377 20 5 HIBDMO O=C(c1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000435600956 860905593 /nfs/dbraw/zinc/90/55/93/860905593.db2.gz HQMWUAAGGAHZNS-LJQANCHMSA-N 1 1 400.523 4.040 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+](CCO)C2CCOCC2)cc1 ZINC000438334827 863809597 /nfs/dbraw/zinc/80/95/97/863809597.db2.gz ARXLSOSFBDSCEP-UHFFFAOYSA-N 1 1 406.866 4.014 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCOCC2)ccc1Oc1ccccc1Cl ZINC000438335990 863810842 /nfs/dbraw/zinc/81/08/42/863810842.db2.gz SHDTUFZALWOUMX-UHFFFAOYSA-N 1 1 406.866 4.014 20 5 HIBDMO CN(C)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 ZINC000438342216 863813631 /nfs/dbraw/zinc/81/36/31/863813631.db2.gz MLLCSBKDVGTEKG-UHFFFAOYSA-N 1 1 408.296 4.191 20 5 HIBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000438550387 863980028 /nfs/dbraw/zinc/98/00/28/863980028.db2.gz ANZXHVMLOSJZKP-MRXNPFEDSA-N 1 1 406.866 4.278 20 5 HIBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000438550387 863980038 /nfs/dbraw/zinc/98/00/38/863980038.db2.gz ANZXHVMLOSJZKP-MRXNPFEDSA-N 1 1 406.866 4.278 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438953403 864425580 /nfs/dbraw/zinc/42/55/80/864425580.db2.gz OLWONKGMQGJLGS-RDJZCZTQSA-N 1 1 401.894 4.197 20 5 HIBDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065523 864516832 /nfs/dbraw/zinc/51/68/32/864516832.db2.gz AUEBVWKTJMXLPB-KKSFZXQISA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065523 864516842 /nfs/dbraw/zinc/51/68/42/864516842.db2.gz AUEBVWKTJMXLPB-KKSFZXQISA-N 1 1 411.506 4.063 20 5 HIBDMO CC[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000439137228 864569723 /nfs/dbraw/zinc/56/97/23/864569723.db2.gz RVPNDTYOOVBTPB-SFHVURJKSA-N 1 1 401.894 4.123 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439528962 864865637 /nfs/dbraw/zinc/86/56/37/864865637.db2.gz GDDAYFITDBRNJL-HXUWFJFHSA-N 1 1 410.518 4.240 20 5 HIBDMO CC[C@](C)(O)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000439789358 865110196 /nfs/dbraw/zinc/11/01/96/865110196.db2.gz ZGXVDEDUFAGIBA-QHCPKHFHSA-N 1 1 408.502 4.159 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295571 866369564 /nfs/dbraw/zinc/36/95/64/866369564.db2.gz KQKJDMRWQXMKIQ-MZKRTTBSSA-N 1 1 423.513 4.332 20 5 HIBDMO CCCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000441435074 866512637 /nfs/dbraw/zinc/51/26/37/866512637.db2.gz BDPIDUKOJKJFEA-UHFFFAOYSA-N 1 1 401.373 4.170 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000468208452 882089768 /nfs/dbraw/zinc/08/97/68/882089768.db2.gz HTORYDPUXDYVNT-ZDUSSCGKSA-N 1 1 413.865 4.303 20 5 HIBDMO CO[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000443076550 867813229 /nfs/dbraw/zinc/81/32/29/867813229.db2.gz YAWXNHFZUVZTJH-HTAPYJJXSA-N 1 1 406.486 4.447 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650964 868245350 /nfs/dbraw/zinc/24/53/50/868245350.db2.gz QMYIGGRULCCCKK-ZIAGYGMSSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650964 868245369 /nfs/dbraw/zinc/24/53/69/868245369.db2.gz QMYIGGRULCCCKK-ZIAGYGMSSA-N 1 1 412.421 4.082 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000443954555 868489646 /nfs/dbraw/zinc/48/96/46/868489646.db2.gz BNHKCQHUAQTDOA-INIZCTEOSA-N 1 1 402.520 4.307 20 5 HIBDMO CC1CCC([NH+]2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)CC1 ZINC000444027006 868558806 /nfs/dbraw/zinc/55/88/06/868558806.db2.gz AYEBYTUGDRIWCW-UHFFFAOYSA-N 1 1 421.516 4.157 20 5 HIBDMO Cc1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1-c1ccc(Cl)cc1 ZINC000468284281 882207333 /nfs/dbraw/zinc/20/73/33/882207333.db2.gz CZKUDVTTZJYABW-INIZCTEOSA-N 1 1 413.865 4.293 20 5 HIBDMO Cc1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1-c1ccc(Cl)cc1 ZINC000468284281 882207349 /nfs/dbraw/zinc/20/73/49/882207349.db2.gz CZKUDVTTZJYABW-INIZCTEOSA-N 1 1 413.865 4.293 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](COCc4ccccc4)C3)o2)c1 ZINC000444170227 868647536 /nfs/dbraw/zinc/64/75/36/868647536.db2.gz LZBDSTWCMYJMRS-IBGZPJMESA-N 1 1 407.470 4.331 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@H+]1Cc1ccccc1 ZINC000444222764 868674838 /nfs/dbraw/zinc/67/48/38/868674838.db2.gz GKTBDKFBHCWMPW-FXAWDEMLSA-N 1 1 411.505 4.074 20 5 HIBDMO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000444656938 868935385 /nfs/dbraw/zinc/93/53/85/868935385.db2.gz IVIVBEOFMLZCRA-VXGBXAGGSA-N 1 1 403.389 4.017 20 5 HIBDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444777838 868997979 /nfs/dbraw/zinc/99/79/79/868997979.db2.gz GXRIJAFECINHRM-KRWDZBQOSA-N 1 1 407.392 4.076 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)co2)cc1 ZINC000444784771 869002426 /nfs/dbraw/zinc/00/24/26/869002426.db2.gz OUAYGGMDEQMALQ-UHFFFAOYSA-N 1 1 407.470 4.067 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445004415 869158751 /nfs/dbraw/zinc/15/87/51/869158751.db2.gz GUOWPXLUCYPMFZ-LJQANCHMSA-N 1 1 411.505 4.076 20 5 HIBDMO C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000445165169 869252874 /nfs/dbraw/zinc/25/28/74/869252874.db2.gz YQXQWDAYVFSJIN-IRXDYDNUSA-N 1 1 403.526 4.064 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000446104978 870052814 /nfs/dbraw/zinc/05/28/14/870052814.db2.gz XJCLWTBMSWNRET-UHFFFAOYSA-N 1 1 421.419 4.316 20 5 HIBDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446844280 870763784 /nfs/dbraw/zinc/76/37/84/870763784.db2.gz SGRGVVDDLXBARO-UHFFFAOYSA-N 1 1 410.865 4.217 20 5 HIBDMO O=C(C[NH2+][C@H](c1ccccc1)c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000447341675 871238990 /nfs/dbraw/zinc/23/89/90/871238990.db2.gz POXAQPNCVZKVPO-HSZRJFAPSA-N 1 1 405.429 4.002 20 5 HIBDMO Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000447556724 871444231 /nfs/dbraw/zinc/44/42/31/871444231.db2.gz HGTPFPVXNSYGHT-QFIPXVFZSA-N 1 1 410.495 4.186 20 5 HIBDMO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(-n2cc(Cl)cn2)n1 ZINC000468589275 882673370 /nfs/dbraw/zinc/67/33/70/882673370.db2.gz LRIPAOAOFYCELT-UHFFFAOYSA-N 1 1 423.807 4.029 20 5 HIBDMO C[C@H](c1ccc(F)cc1F)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460363327 872996842 /nfs/dbraw/zinc/99/68/42/872996842.db2.gz NTIPPEOAQFHYAY-CYBMUJFWSA-N 1 1 401.417 4.023 20 5 HIBDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)oc1C ZINC000462092982 875203123 /nfs/dbraw/zinc/20/31/23/875203123.db2.gz LUHODMGVGRDRRS-UHFFFAOYSA-N 1 1 410.421 4.125 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462158499 875254453 /nfs/dbraw/zinc/25/44/53/875254453.db2.gz LXZDPGYXLJSYMQ-OXQOHEQNSA-N 1 1 413.543 4.346 20 5 HIBDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000462457402 875564295 /nfs/dbraw/zinc/56/42/95/875564295.db2.gz ZLNDFMVYYOYJNC-INIZCTEOSA-N 1 1 412.515 4.233 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462617195 875729438 /nfs/dbraw/zinc/72/94/38/875729438.db2.gz NHLBDJVVWFIPRX-QTGUNEKASA-N 1 1 409.530 4.190 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000462630589 875741147 /nfs/dbraw/zinc/74/11/47/875741147.db2.gz ZOFVDMBSTAXRIE-HNNXBMFYSA-N 1 1 402.520 4.025 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000462630589 875741156 /nfs/dbraw/zinc/74/11/56/875741156.db2.gz ZOFVDMBSTAXRIE-HNNXBMFYSA-N 1 1 402.520 4.025 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1C ZINC000462766565 875827664 /nfs/dbraw/zinc/82/76/64/875827664.db2.gz VEHHAKYQNKZEDT-AWEZNQCLSA-N 1 1 414.849 4.457 20 5 HIBDMO COc1cc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] ZINC000462799726 875848626 /nfs/dbraw/zinc/84/86/26/875848626.db2.gz WUWSJQRESITJGU-UHFFFAOYSA-N 1 1 408.458 4.335 20 5 HIBDMO CC[N@H+](C[C@H](C)OC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427575 876482244 /nfs/dbraw/zinc/48/22/44/876482244.db2.gz GKFJXQVIZYUINO-LIRRHRJNSA-N 1 1 405.882 4.285 20 5 HIBDMO CC[N@@H+](C[C@H](C)OC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427575 876482253 /nfs/dbraw/zinc/48/22/53/876482253.db2.gz GKFJXQVIZYUINO-LIRRHRJNSA-N 1 1 405.882 4.285 20 5 HIBDMO CC(C)CCSc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000463943295 877063760 /nfs/dbraw/zinc/06/37/60/877063760.db2.gz GHLIAPHIGAXKOR-AYHJJNSGSA-N 1 1 405.564 4.478 20 5 HIBDMO COCC[N@@H+](C)CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000463952763 877075759 /nfs/dbraw/zinc/07/57/59/877075759.db2.gz GANIPDQISQAJIT-IBGZPJMESA-N 1 1 414.506 4.043 20 5 HIBDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1Br ZINC000464485013 877705602 /nfs/dbraw/zinc/70/56/02/877705602.db2.gz DIXBACYGQSOBSC-SNVBAGLBSA-N 1 1 413.243 4.364 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464765973 878008160 /nfs/dbraw/zinc/00/81/60/878008160.db2.gz BCDHKBNMJXAPKC-MRXNPFEDSA-N 1 1 415.515 4.046 20 5 HIBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464765973 878008175 /nfs/dbraw/zinc/00/81/75/878008175.db2.gz BCDHKBNMJXAPKC-MRXNPFEDSA-N 1 1 415.515 4.046 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2[N+](=O)[O-])cc1 ZINC000465235753 878653769 /nfs/dbraw/zinc/65/37/69/878653769.db2.gz FXSIIZQDUAFIMN-MSOLQXFVSA-N 1 1 411.527 4.363 20 5 HIBDMO CN(C)CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 ZINC000466414270 880183572 /nfs/dbraw/zinc/18/35/72/880183572.db2.gz IRLURGYNMSZKMY-UHFFFAOYSA-N 1 1 408.296 4.191 20 5 HIBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467122831 880877535 /nfs/dbraw/zinc/87/75/35/880877535.db2.gz RNNPBSPJZGSXMC-UHFFFAOYSA-N 1 1 416.890 4.334 20 5 HIBDMO COC[C@@H]1CCCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320743 881067377 /nfs/dbraw/zinc/06/73/77/881067377.db2.gz DMKJMJWEVUJPAR-XMSQKQJNSA-N 1 1 411.502 4.332 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377790 881153166 /nfs/dbraw/zinc/15/31/66/881153166.db2.gz PLLZMUOHVNHGFH-ZHRRBRCNSA-N 1 1 400.475 4.039 20 5 HIBDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469355482 883477171 /nfs/dbraw/zinc/47/71/71/883477171.db2.gz ZAJQFPGWXXJTSC-RYUDHWBXSA-N 1 1 422.279 4.044 20 5 HIBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470127521 884390099 /nfs/dbraw/zinc/39/00/99/884390099.db2.gz COPCRSKSARJWRI-SGTLLEGYSA-N 1 1 424.835 4.341 20 5 HIBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@@H]1C ZINC000470155583 884428494 /nfs/dbraw/zinc/42/84/94/884428494.db2.gz ZOGUFBAYVIXXMV-RISCZKNCSA-N 1 1 423.263 4.001 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473425959 888146028 /nfs/dbraw/zinc/14/60/28/888146028.db2.gz GULPLDODVUVOEM-UHFFFAOYSA-N 1 1 402.466 4.091 20 5 HIBDMO Cc1cc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC000473771778 888570359 /nfs/dbraw/zinc/57/03/59/888570359.db2.gz FUVQPXSYQVFCFA-UHFFFAOYSA-N 1 1 408.502 4.423 20 5 HIBDMO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C)c1 ZINC000474158986 888993106 /nfs/dbraw/zinc/99/31/06/888993106.db2.gz HBMOLUOJGKBNKP-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C)c1 ZINC000474158986 888993117 /nfs/dbraw/zinc/99/31/17/888993117.db2.gz HBMOLUOJGKBNKP-UHFFFAOYSA-N 1 1 415.490 4.160 20 5 HIBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000475196353 890064771 /nfs/dbraw/zinc/06/47/71/890064771.db2.gz UTQKYDVEMYUTBN-STQMWFEESA-N 1 1 414.428 4.388 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475550120 890474662 /nfs/dbraw/zinc/47/46/62/890474662.db2.gz GOIUWXYPVKGSNT-LJQANCHMSA-N 1 1 411.506 4.125 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000475570649 890501510 /nfs/dbraw/zinc/50/15/10/890501510.db2.gz ZHQWCHKCAAMCOE-UHFFFAOYSA-N 1 1 418.444 4.276 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000475643394 890585827 /nfs/dbraw/zinc/58/58/27/890585827.db2.gz WWLQJRPPQCCOLY-INIZCTEOSA-N 1 1 402.520 4.307 20 5 HIBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000476268290 891189383 /nfs/dbraw/zinc/18/93/83/891189383.db2.gz GTUGLSLBWPKTJR-INIZCTEOSA-N 1 1 422.428 4.421 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000478052254 893199779 /nfs/dbraw/zinc/19/97/79/893199779.db2.gz HEBLAEVNPTZWSO-INIZCTEOSA-N 1 1 422.957 4.163 20 5 HIBDMO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000478563254 893850447 /nfs/dbraw/zinc/85/04/47/893850447.db2.gz QNRSGNAJBQLEGB-UNMCSNQZSA-N 1 1 421.541 4.386 20 5 HIBDMO COc1ccc(CN2CCC[N@H+](C(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000505236338 913896756 /nfs/dbraw/zinc/89/67/56/913896756.db2.gz XVMCMTJWWPRQPF-UHFFFAOYSA-N 1 1 413.518 4.099 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000479620769 894890077 /nfs/dbraw/zinc/89/00/77/894890077.db2.gz PIKHEXVLGQKROE-HSZRJFAPSA-N 1 1 408.502 4.342 20 5 HIBDMO COc1cc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc([N+](=O)[O-])c1C ZINC000480014955 895364686 /nfs/dbraw/zinc/36/46/86/895364686.db2.gz NGGAAZBKLDHFDJ-UHFFFAOYSA-N 1 1 423.469 4.067 20 5 HIBDMO COc1cc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc([N+](=O)[O-])c1C ZINC000480014955 895364700 /nfs/dbraw/zinc/36/47/00/895364700.db2.gz NGGAAZBKLDHFDJ-UHFFFAOYSA-N 1 1 423.469 4.067 20 5 HIBDMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000480533241 895896309 /nfs/dbraw/zinc/89/63/09/895896309.db2.gz ARQFPLNJGWZFIN-YLJYHZDGSA-N 1 1 416.591 4.246 20 5 HIBDMO C[C@H](c1cc(F)ccc1F)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481182771 896524474 /nfs/dbraw/zinc/52/44/74/896524474.db2.gz QCYGSEMQWHWFLO-CYBMUJFWSA-N 1 1 401.417 4.023 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000481516989 896884456 /nfs/dbraw/zinc/88/44/56/896884456.db2.gz OIXQVUGXDRCVCY-QIJUGHKUSA-N 1 1 411.502 4.066 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481693531 897079184 /nfs/dbraw/zinc/07/91/84/897079184.db2.gz SVMMCJIEVSMWSK-IVZQSRNASA-N 1 1 406.442 4.227 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481693531 897079201 /nfs/dbraw/zinc/07/92/01/897079201.db2.gz SVMMCJIEVSMWSK-IVZQSRNASA-N 1 1 406.442 4.227 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000481767674 897153699 /nfs/dbraw/zinc/15/36/99/897153699.db2.gz FGQFWWATSYEJDW-IBGZPJMESA-N 1 1 424.545 4.478 20 5 HIBDMO COc1ccc(C2([NH2+]Cc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000505494904 914179977 /nfs/dbraw/zinc/17/99/77/914179977.db2.gz KZLCKEOPULOXCP-UHFFFAOYSA-N 1 1 408.401 4.035 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000482669210 898270825 /nfs/dbraw/zinc/27/08/25/898270825.db2.gz YVLAALNPHAGEAG-OAHLLOKOSA-N 1 1 400.454 4.159 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H](CO)c3c(Cl)cccc3Cl)o2)c1 ZINC000483237203 898881357 /nfs/dbraw/zinc/88/13/57/898881357.db2.gz AXTCLUHAOVYDGG-INIZCTEOSA-N 1 1 422.268 4.422 20 5 HIBDMO COc1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000484294584 899857459 /nfs/dbraw/zinc/85/74/59/899857459.db2.gz CAGSCESWFUGREB-OAHLLOKOSA-N 1 1 408.401 4.120 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[N@H+]1C ZINC000485385050 900680114 /nfs/dbraw/zinc/68/01/14/900680114.db2.gz RPKBNFRIRRDSOX-GDBMZVCRSA-N 1 1 416.909 4.073 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000485825707 901073134 /nfs/dbraw/zinc/07/31/34/901073134.db2.gz OMUFJGSQWJDVFS-INIZCTEOSA-N 1 1 401.894 4.466 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000485825707 901073144 /nfs/dbraw/zinc/07/31/44/901073144.db2.gz OMUFJGSQWJDVFS-INIZCTEOSA-N 1 1 401.894 4.466 20 5 HIBDMO CSc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225369 901408240 /nfs/dbraw/zinc/40/82/40/901408240.db2.gz MNQNYHKSPTZLHO-SUMWQHHRSA-N 1 1 405.545 4.191 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000505925245 914573425 /nfs/dbraw/zinc/57/34/25/914573425.db2.gz QFYSKWZTFOUJAR-FGTMMUONSA-N 1 1 405.564 4.188 20 5 HIBDMO COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 ZINC000489869174 903642016 /nfs/dbraw/zinc/64/20/16/903642016.db2.gz GKKVARZOCNOZIO-OAHLLOKOSA-N 1 1 424.457 4.258 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000490013559 903724657 /nfs/dbraw/zinc/72/46/57/903724657.db2.gz WBKPCQCNFDALSS-AEFFLSMTSA-N 1 1 405.564 4.430 20 5 HIBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490325707 903906248 /nfs/dbraw/zinc/90/62/48/903906248.db2.gz BZSXZXRKJOGFHM-ICSRJNTNSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490325707 903906265 /nfs/dbraw/zinc/90/62/65/903906265.db2.gz BZSXZXRKJOGFHM-ICSRJNTNSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490325709 903906902 /nfs/dbraw/zinc/90/69/02/903906902.db2.gz BZSXZXRKJOGFHM-UYAOXDASSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490325709 903906915 /nfs/dbraw/zinc/90/69/15/903906915.db2.gz BZSXZXRKJOGFHM-UYAOXDASSA-N 1 1 403.429 4.135 20 5 HIBDMO C[C@H](OC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451356 904018066 /nfs/dbraw/zinc/01/80/66/904018066.db2.gz GMGJRHBEABEBJX-YCRPNKLZSA-N 1 1 404.894 4.351 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491239801 904497904 /nfs/dbraw/zinc/49/79/04/904497904.db2.gz PWIMIOPTGNMCBS-GFCCVEGCSA-N 1 1 413.446 4.083 20 5 HIBDMO O=C(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F ZINC000491357080 904554743 /nfs/dbraw/zinc/55/47/43/904554743.db2.gz VNZLSPMUJXYXAN-OAQYLSRUSA-N 1 1 415.371 4.330 20 5 HIBDMO COc1cc(C[NH2+]Cc2cnc3ccccc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492210884 904815763 /nfs/dbraw/zinc/81/57/63/904815763.db2.gz OXORGQCMZPHIAT-UHFFFAOYSA-N 1 1 403.385 4.085 20 5 HIBDMO CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000492934820 904954654 /nfs/dbraw/zinc/95/46/54/904954654.db2.gz BNWDIBKCWAYYTN-PGRDOPGGSA-N 1 1 410.518 4.352 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938067 904956941 /nfs/dbraw/zinc/95/69/41/904956941.db2.gz SSXOTELQVFNWLN-GHTZIAJQSA-N 1 1 410.518 4.270 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493211777 905054025 /nfs/dbraw/zinc/05/40/25/905054025.db2.gz RZUARJYCZXTBRG-UHFFFAOYSA-N 1 1 409.273 4.147 20 5 HIBDMO Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493303214 905079774 /nfs/dbraw/zinc/07/97/74/905079774.db2.gz KDEFCEKIFUYSIP-QGZVFWFLSA-N 1 1 423.542 4.168 20 5 HIBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@@H]2C1 ZINC000493560476 905163889 /nfs/dbraw/zinc/16/38/89/905163889.db2.gz XCTFUEFPRNWACT-AUUYWEPGSA-N 1 1 415.877 4.207 20 5 HIBDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1F ZINC000493601454 905171172 /nfs/dbraw/zinc/17/11/72/905171172.db2.gz HRPZEXWIXFORSI-LLVKDONJSA-N 1 1 414.380 4.246 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c([N+](=O)[O-])c2)cc1 ZINC000493637050 905177256 /nfs/dbraw/zinc/17/72/56/905177256.db2.gz URSBYVKULOKETB-AZUAARDMSA-N 1 1 408.502 4.076 20 5 HIBDMO COc1cc(C[NH2+]Cc2nccc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000494012318 905352106 /nfs/dbraw/zinc/35/21/06/905352106.db2.gz ODYPJZGPLBHDAI-UHFFFAOYSA-N 1 1 403.385 4.085 20 5 HIBDMO C[C@@H]1[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1Cc1ccccc1 ZINC000494070077 905409272 /nfs/dbraw/zinc/40/92/72/905409272.db2.gz UQQCMTQLDRKBQP-VGOFRKELSA-N 1 1 411.505 4.074 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494077272 905415124 /nfs/dbraw/zinc/41/51/24/905415124.db2.gz GUHIAOISCHUCFC-OXJNMPFZSA-N 1 1 413.543 4.488 20 5 HIBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000494413522 905701973 /nfs/dbraw/zinc/70/19/73/905701973.db2.gz TUWIYDLGZNVKSJ-UWVGGRQHSA-N 1 1 402.398 4.138 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000495055531 906208927 /nfs/dbraw/zinc/20/89/27/906208927.db2.gz IKHHNZGNPSXFRB-UHFFFAOYSA-N 1 1 401.532 4.477 20 5 HIBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@H]2C1 ZINC000495092893 906232852 /nfs/dbraw/zinc/23/28/52/906232852.db2.gz YGAIHXQRSMCHSC-ACJLOTCBSA-N 1 1 420.307 4.143 20 5 HIBDMO CN1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@H]2C1 ZINC000495092893 906232864 /nfs/dbraw/zinc/23/28/64/906232864.db2.gz YGAIHXQRSMCHSC-ACJLOTCBSA-N 1 1 420.307 4.143 20 5 HIBDMO CN1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@H]2C1 ZINC000495092893 906232883 /nfs/dbraw/zinc/23/28/83/906232883.db2.gz YGAIHXQRSMCHSC-ACJLOTCBSA-N 1 1 420.307 4.143 20 5 HIBDMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000512701857 921292040 /nfs/dbraw/zinc/29/20/40/921292040.db2.gz WGXRBUGPISDYCO-UHFFFAOYSA-N 1 1 412.515 4.358 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000498141154 907662799 /nfs/dbraw/zinc/66/27/99/907662799.db2.gz VGWSGQZGZHMSNR-JOCHJYFZSA-N 1 1 411.527 4.467 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)C1 ZINC000498314876 907835468 /nfs/dbraw/zinc/83/54/68/907835468.db2.gz VNGDQGQDNWXDSV-SFHVURJKSA-N 1 1 420.513 4.098 20 5 HIBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500099112 909579283 /nfs/dbraw/zinc/57/92/83/909579283.db2.gz RVYOHQMUUVPATJ-FQEVSTJZSA-N 1 1 407.474 4.130 20 5 HIBDMO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501960730 910948241 /nfs/dbraw/zinc/94/82/41/910948241.db2.gz YQCUTHLLVYVWBI-QFBILLFUSA-N 1 1 406.486 4.374 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513227856 921641932 /nfs/dbraw/zinc/64/19/32/921641932.db2.gz RWLHHCSPYMJCSZ-LJQANCHMSA-N 1 1 422.510 4.113 20 5 HIBDMO Cc1c(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000502355245 911337287 /nfs/dbraw/zinc/33/72/87/911337287.db2.gz SPZRUFDDIPGPCG-IBGZPJMESA-N 1 1 419.485 4.258 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000503086484 912057056 /nfs/dbraw/zinc/05/70/56/912057056.db2.gz IOCNSDPYQUGIOD-NRFANRHFSA-N 1 1 407.449 4.261 20 5 HIBDMO C[N@H+](CCc1ccccn1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000503160497 912127007 /nfs/dbraw/zinc/12/70/07/912127007.db2.gz PAYTVEFGKWPQDU-NRFANRHFSA-N 1 1 424.888 4.498 20 5 HIBDMO C[N@@H+](CCc1ccccn1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000503160497 912127017 /nfs/dbraw/zinc/12/70/17/912127017.db2.gz PAYTVEFGKWPQDU-NRFANRHFSA-N 1 1 424.888 4.498 20 5 HIBDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000506732908 915417084 /nfs/dbraw/zinc/41/70/84/915417084.db2.gz AUQMEWJPIXUNPB-OAQYLSRUSA-N 1 1 422.485 4.350 20 5 HIBDMO Cn1cc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506742501 915431467 /nfs/dbraw/zinc/43/14/67/915431467.db2.gz GZQSBFCKUMZCNW-LJQANCHMSA-N 1 1 412.515 4.238 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507185061 915932245 /nfs/dbraw/zinc/93/22/45/915932245.db2.gz YKDZWIOHDRLFHT-UHFFFAOYSA-N 1 1 422.485 4.451 20 5 HIBDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000507246359 916007682 /nfs/dbraw/zinc/00/76/82/916007682.db2.gz ILBSNCQDNZIPRL-GHMZBOCLSA-N 1 1 410.243 4.174 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000507305306 916067747 /nfs/dbraw/zinc/06/77/47/916067747.db2.gz UPVPZZXXPZJXJT-KXBFYZLASA-N 1 1 403.548 4.186 20 5 HIBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000507920608 916800721 /nfs/dbraw/zinc/80/07/21/916800721.db2.gz NSHKXGHWNLMBKE-CQSZACIVSA-N 1 1 400.385 4.303 20 5 HIBDMO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507972695 916823119 /nfs/dbraw/zinc/82/31/19/916823119.db2.gz XZNMISZUWAFDBT-IBGZPJMESA-N 1 1 403.841 4.335 20 5 HIBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000508342422 917144184 /nfs/dbraw/zinc/14/41/84/917144184.db2.gz KBPNIHSJAZLBFH-MSOLQXFVSA-N 1 1 410.518 4.057 20 5 HIBDMO CCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000508456268 917240375 /nfs/dbraw/zinc/24/03/75/917240375.db2.gz LNLSBSLGJNDTNO-FQEVSTJZSA-N 1 1 411.502 4.120 20 5 HIBDMO COc1ccc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000508777567 917530890 /nfs/dbraw/zinc/53/08/90/917530890.db2.gz IXIISVYHGSQQEH-UHFFFAOYSA-N 1 1 405.454 4.488 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1)C(C)C ZINC000508784898 917539447 /nfs/dbraw/zinc/53/94/47/917539447.db2.gz KHNZIYIQFWUMHD-UHFFFAOYSA-N 1 1 413.474 4.239 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000509434351 918091049 /nfs/dbraw/zinc/09/10/49/918091049.db2.gz XEUTYHXKEOPFNB-UHFFFAOYSA-N 1 1 424.545 4.352 20 5 HIBDMO COc1ccc(CNCC[N@@H+]2CCCC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509614644 918262703 /nfs/dbraw/zinc/26/27/03/918262703.db2.gz BYNYJLRSMXMRHW-SFHVURJKSA-N 1 1 413.518 4.146 20 5 HIBDMO COc1ccc(CNCC[N@H+]2CCCC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509614644 918262714 /nfs/dbraw/zinc/26/27/14/918262714.db2.gz BYNYJLRSMXMRHW-SFHVURJKSA-N 1 1 413.518 4.146 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000510134025 918690667 /nfs/dbraw/zinc/69/06/67/918690667.db2.gz WFKGJUMYRHNDGJ-UYAOXDASSA-N 1 1 409.530 4.289 20 5 HIBDMO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000510452615 918908185 /nfs/dbraw/zinc/90/81/85/918908185.db2.gz AZYYDKAUJKIYSC-UHFFFAOYSA-N 1 1 411.483 4.264 20 5 HIBDMO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000510452615 918908192 /nfs/dbraw/zinc/90/81/92/918908192.db2.gz AZYYDKAUJKIYSC-UHFFFAOYSA-N 1 1 411.483 4.264 20 5 HIBDMO C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510923343 919441713 /nfs/dbraw/zinc/44/17/13/919441713.db2.gz RRVRFQXHGLEOQD-ZBFHGGJFSA-N 1 1 414.531 4.101 20 5 HIBDMO COc1cccc(-c2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)c1OC ZINC000511088426 919690341 /nfs/dbraw/zinc/69/03/41/919690341.db2.gz BUFDPVLBYQVBCL-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO COc1cccc(-c2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)c1OC ZINC000511088426 919690351 /nfs/dbraw/zinc/69/03/51/919690351.db2.gz BUFDPVLBYQVBCL-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511270687 919869293 /nfs/dbraw/zinc/86/92/93/919869293.db2.gz SFECTRZDFWVGNF-HZPDHXFCSA-N 1 1 405.564 4.478 20 5 HIBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496255 920106346 /nfs/dbraw/zinc/10/63/46/920106346.db2.gz UGRDPPXTAOTBAF-DOTOQJQBSA-N 1 1 416.547 4.235 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000511753578 920432741 /nfs/dbraw/zinc/43/27/41/920432741.db2.gz LTRLHYVRFHBPBM-QFIPXVFZSA-N 1 1 420.513 4.036 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000512089514 920852604 /nfs/dbraw/zinc/85/26/04/920852604.db2.gz FXLMOWJSFAQDPS-INIZCTEOSA-N 1 1 406.486 4.381 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCSc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513689345 922010048 /nfs/dbraw/zinc/01/00/48/922010048.db2.gz BPBIUPPMBRKLID-LJQANCHMSA-N 1 1 400.479 4.329 20 5 HIBDMO Cn1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513753913 922074084 /nfs/dbraw/zinc/07/40/84/922074084.db2.gz GVIWPMPXVLHXPH-UHFFFAOYSA-N 1 1 418.453 4.496 20 5 HIBDMO Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513753913 922074102 /nfs/dbraw/zinc/07/41/02/922074102.db2.gz GVIWPMPXVLHXPH-UHFFFAOYSA-N 1 1 418.453 4.496 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000513912954 922235829 /nfs/dbraw/zinc/23/58/29/922235829.db2.gz JYPIRUKTGDXQPA-NRFANRHFSA-N 1 1 406.486 4.107 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000515747740 923320752 /nfs/dbraw/zinc/32/07/52/923320752.db2.gz KUYWKIWMSAQSEN-HDICACEKSA-N 1 1 410.518 4.072 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000516498857 923760868 /nfs/dbraw/zinc/76/08/68/923760868.db2.gz YRYYNRFAPSKJIY-AWEZNQCLSA-N 1 1 407.923 4.212 20 5 HIBDMO CC[N@@H+]1CCC[C@@H]1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000517542876 924254854 /nfs/dbraw/zinc/25/48/54/924254854.db2.gz GNZFIGRVFZNYMX-JOCHJYFZSA-N 1 1 405.502 4.021 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000517542876 924254867 /nfs/dbraw/zinc/25/48/67/924254867.db2.gz GNZFIGRVFZNYMX-JOCHJYFZSA-N 1 1 405.502 4.021 20 5 HIBDMO CC[N@@H+](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(C)C ZINC000517550895 924261586 /nfs/dbraw/zinc/26/15/86/924261586.db2.gz QVUYDYHUVOPENX-UHFFFAOYSA-N 1 1 410.312 4.437 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1SC ZINC000518868218 927578366 /nfs/dbraw/zinc/57/83/66/927578366.db2.gz WORVOOKPBWSVFR-MRXNPFEDSA-N 1 1 421.563 4.100 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cc4c(cc3OC)C[C@H](C)O4)o2)c([N+](=O)[O-])c1 ZINC000520952027 928887728 /nfs/dbraw/zinc/88/77/28/928887728.db2.gz BUPCOFPBEZBSAX-AWEZNQCLSA-N 1 1 424.453 4.485 20 5 HIBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000521248851 929080459 /nfs/dbraw/zinc/08/04/59/929080459.db2.gz DXCHDJCIOWMYQA-PBHICJAKSA-N 1 1 415.877 4.027 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000521883176 929533844 /nfs/dbraw/zinc/53/38/44/929533844.db2.gz ISAUMKJCRYQEHV-LJQANCHMSA-N 1 1 424.526 4.331 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000524865287 929863977 /nfs/dbraw/zinc/86/39/77/929863977.db2.gz OEEGZMATYUWPRL-QZTJIDSGSA-N 1 1 413.543 4.198 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000525057924 930008115 /nfs/dbraw/zinc/00/81/15/930008115.db2.gz YYRSBWDUSGEVPG-HRAATJIYSA-N 1 1 416.547 4.048 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000525776967 930440821 /nfs/dbraw/zinc/44/08/21/930440821.db2.gz XXMMJKHEQRHAMP-GOSISDBHSA-N 1 1 406.486 4.060 20 5 HIBDMO COc1ccc(OCC[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])c1 ZINC000525782635 930442551 /nfs/dbraw/zinc/44/25/51/930442551.db2.gz KOHDCQJTMVAGKW-UHFFFAOYSA-N 1 1 412.486 4.194 20 5 HIBDMO 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O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000532688881 931585426 /nfs/dbraw/zinc/58/54/26/931585426.db2.gz FKUXUKYCGYVPCB-INIZCTEOSA-N 1 1 412.421 4.042 20 5 HIBDMO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000533066045 931761549 /nfs/dbraw/zinc/76/15/49/931761549.db2.gz JWFAHEQHDYRAGO-LJQANCHMSA-N 1 1 410.474 4.096 20 5 HIBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000533066045 931761557 /nfs/dbraw/zinc/76/15/57/931761557.db2.gz JWFAHEQHDYRAGO-LJQANCHMSA-N 1 1 410.474 4.096 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000533347542 931844632 /nfs/dbraw/zinc/84/46/32/931844632.db2.gz MXTQZVIDMLROLZ-CTNGQTDRSA-N 1 1 424.545 4.217 20 5 HIBDMO CC(C)[C@H](CO)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000533478638 931879412 /nfs/dbraw/zinc/87/94/12/931879412.db2.gz HTTLPSLYLYAHSQ-NRFANRHFSA-N 1 1 409.486 4.311 20 5 HIBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC(c1ccccc1)c1ccccc1 ZINC000533804361 932039482 /nfs/dbraw/zinc/03/94/82/932039482.db2.gz ZIKLHZJMMZLWBG-UHFFFAOYSA-N 1 1 415.493 4.249 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000534063591 932241775 /nfs/dbraw/zinc/24/17/75/932241775.db2.gz YXIJCFFSZUEFKF-SJORKVTESA-N 1 1 409.273 4.469 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000534063591 932241783 /nfs/dbraw/zinc/24/17/83/932241783.db2.gz YXIJCFFSZUEFKF-SJORKVTESA-N 1 1 409.273 4.469 20 5 HIBDMO C[N@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534227485 932346260 /nfs/dbraw/zinc/34/62/60/932346260.db2.gz XRESXTGYCRBASJ-IERDGZPVSA-N 1 1 419.884 4.129 20 5 HIBDMO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000535367931 933096722 /nfs/dbraw/zinc/09/67/22/933096722.db2.gz GEFXRQPUGMQNHB-UTKZUKDTSA-N 1 1 420.513 4.303 20 5 HIBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673413 933321767 /nfs/dbraw/zinc/32/17/67/933321767.db2.gz XTNUHYOUSCKNNN-DNVCBOLYSA-N 1 1 405.857 4.119 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000535694229 933349196 /nfs/dbraw/zinc/34/91/96/933349196.db2.gz REAVGMRJAUMMAS-AEFFLSMTSA-N 1 1 406.486 4.201 20 5 HIBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1c(C)noc1C ZINC000535997573 933557704 /nfs/dbraw/zinc/55/77/04/933557704.db2.gz AWTRBAPVJYWZQW-YGRLFVJLSA-N 1 1 414.384 4.286 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000536122860 933672814 /nfs/dbraw/zinc/67/28/14/933672814.db2.gz FAHDMPATGFSDJI-MRXNPFEDSA-N 1 1 406.486 4.489 20 5 HIBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cn(-c3ccccc3)nc1-c1cccnc1)C2 ZINC000537624394 938338050 /nfs/dbraw/zinc/33/80/50/938338050.db2.gz XGLPOFNMQNKTOD-UHFFFAOYSA-N 1 1 411.465 4.401 20 5 HIBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cn(-c3ccccc3)nc1-c1cccnc1)C2 ZINC000537624394 938338056 /nfs/dbraw/zinc/33/80/56/938338056.db2.gz XGLPOFNMQNKTOD-UHFFFAOYSA-N 1 1 411.465 4.401 20 5 HIBDMO O=C([C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1)N1CCCC1 ZINC000537627702 938339317 /nfs/dbraw/zinc/33/93/17/938339317.db2.gz BAASRQOWFYPKHC-HNNXBMFYSA-N 1 1 417.893 4.343 20 5 HIBDMO COc1cc(C[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000537630904 938340935 /nfs/dbraw/zinc/34/09/35/938340935.db2.gz HATKZANZRVLKQU-UHFFFAOYSA-N 1 1 400.475 4.041 20 5 HIBDMO COc1ccccc1-c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000537634412 938342039 /nfs/dbraw/zinc/34/20/39/938342039.db2.gz JLXYNDPSDLDJIO-IBGZPJMESA-N 1 1 404.470 4.352 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000538032748 938474094 /nfs/dbraw/zinc/47/40/94/938474094.db2.gz QSMDQEPFLLMNDX-UHFFFAOYSA-N 1 1 407.580 4.294 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000538743049 938699163 /nfs/dbraw/zinc/69/91/63/938699163.db2.gz UKGRQZAECYSQIT-UHFFFAOYSA-N 1 1 417.456 4.193 20 5 HIBDMO COc1ccccc1[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000539059526 938787038 /nfs/dbraw/zinc/78/70/38/938787038.db2.gz PPDPCESDFUUYAW-IVZQSRNASA-N 1 1 409.442 4.293 20 5 HIBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539262915 938829445 /nfs/dbraw/zinc/82/94/45/938829445.db2.gz OMEUOOYDLPYIFH-HUUCEWRRSA-N 1 1 404.430 4.242 20 5 HIBDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O ZINC000539360022 938848190 /nfs/dbraw/zinc/84/81/90/938848190.db2.gz MVPWBUKQZMCNHX-YJYMSZOUSA-N 1 1 422.441 4.210 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000539381171 938852165 /nfs/dbraw/zinc/85/21/65/938852165.db2.gz LUSWYGTYTVQBOT-CQSZACIVSA-N 1 1 413.861 4.475 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+](C)Cc3ccc([S@@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000539821078 938944417 /nfs/dbraw/zinc/94/44/17/938944417.db2.gz XIWJJGPTRWXDHW-GDLZYMKVSA-N 1 1 414.483 4.233 20 5 HIBDMO COc1ccc(-c2ccc(C[N@@H+](C)Cc3ccc([S@@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000539821078 938944424 /nfs/dbraw/zinc/94/44/24/938944424.db2.gz XIWJJGPTRWXDHW-GDLZYMKVSA-N 1 1 414.483 4.233 20 5 HIBDMO CCOc1cc(C[N@H+]2C[C@H](C)C[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539828496 938949247 /nfs/dbraw/zinc/94/92/47/938949247.db2.gz APNYOIXKNBRHFU-APWZRJJASA-N 1 1 416.522 4.198 20 5 HIBDMO CC(=O)N1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000540628320 939323497 /nfs/dbraw/zinc/32/34/97/939323497.db2.gz WZUKIOYUAUNVHG-IBGZPJMESA-N 1 1 408.483 4.306 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000541104073 939461436 /nfs/dbraw/zinc/46/14/36/939461436.db2.gz MQIRHBNUSSWVGP-UHFFFAOYSA-N 1 1 406.527 4.215 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000541763444 939624234 /nfs/dbraw/zinc/62/42/34/939624234.db2.gz LHZSEKSWXRKNFO-IBGZPJMESA-N 1 1 419.485 4.258 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000541853378 939647131 /nfs/dbraw/zinc/64/71/31/939647131.db2.gz IXZRSJKGGSWOAW-UHFFFAOYSA-N 1 1 400.475 4.183 20 5 HIBDMO Cc1ccc(Sc2ccc(C[NH2+]Cc3ccnc(N(C)C)n3)cc2[N+](=O)[O-])cc1 ZINC000541852785 939647199 /nfs/dbraw/zinc/64/71/99/939647199.db2.gz CUFSIIYIQGXLTJ-UHFFFAOYSA-N 1 1 409.515 4.200 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3nc(C)no3)CC2)cc1OC ZINC000541986673 939670946 /nfs/dbraw/zinc/67/09/46/939670946.db2.gz WWMUSEJJRSKPLT-AWEZNQCLSA-N 1 1 418.494 4.099 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730451 945270137 /nfs/dbraw/zinc/27/01/37/945270137.db2.gz HROSFGPRVWZTRL-FGZHOGPDSA-N 1 1 411.502 4.330 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730451 945270164 /nfs/dbraw/zinc/27/01/64/945270164.db2.gz HROSFGPRVWZTRL-FGZHOGPDSA-N 1 1 411.502 4.330 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000542499278 939833308 /nfs/dbraw/zinc/83/33/08/939833308.db2.gz OLCBVMNXBCIXGB-MRXNPFEDSA-N 1 1 407.264 4.369 20 5 HIBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542649804 939851631 /nfs/dbraw/zinc/85/16/31/939851631.db2.gz PFLBJTGJHMHSSF-QGZVFWFLSA-N 1 1 405.564 4.339 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC000542916953 939877508 /nfs/dbraw/zinc/87/75/08/939877508.db2.gz RDZGAPBESYXSDW-DLBZAZTESA-N 1 1 416.522 4.141 20 5 HIBDMO COc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542962444 939886929 /nfs/dbraw/zinc/88/69/29/939886929.db2.gz QJNMSYOOXYDCDJ-APWZRJJASA-N 1 1 412.490 4.120 20 5 HIBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)c21 ZINC000544394721 940410817 /nfs/dbraw/zinc/41/08/17/940410817.db2.gz RAMSRVBISQCEHK-ICSRJNTNSA-N 1 1 403.486 4.029 20 5 HIBDMO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544463317 940441660 /nfs/dbraw/zinc/44/16/60/940441660.db2.gz FVPXDMBTLUHTPF-OAHLLOKOSA-N 1 1 419.884 4.225 20 5 HIBDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544463317 940441661 /nfs/dbraw/zinc/44/16/61/940441661.db2.gz FVPXDMBTLUHTPF-OAHLLOKOSA-N 1 1 419.884 4.225 20 5 HIBDMO CC[N@@H+](Cc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1)C1CC1 ZINC000544544487 940475873 /nfs/dbraw/zinc/47/58/73/940475873.db2.gz DCTHAVOZKJJMHC-UHFFFAOYSA-N 1 1 407.474 4.284 20 5 HIBDMO C[C@@H](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000546535500 940846536 /nfs/dbraw/zinc/84/65/36/940846536.db2.gz HMGVLWHBTUDLON-INIZCTEOSA-N 1 1 401.482 4.038 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547263890 941047548 /nfs/dbraw/zinc/04/75/48/941047548.db2.gz KNBURNBPXIUZOD-IAGOWNOFSA-N 1 1 405.514 4.125 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882161 941378763 /nfs/dbraw/zinc/37/87/63/941378763.db2.gz IZVULVANSXMVAC-RBBKRZOGSA-N 1 1 423.557 4.483 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882161 941378764 /nfs/dbraw/zinc/37/87/64/941378764.db2.gz IZVULVANSXMVAC-RBBKRZOGSA-N 1 1 423.557 4.483 20 5 HIBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000551211249 941428386 /nfs/dbraw/zinc/42/83/86/941428386.db2.gz GRCRFYXFASRUHY-DGCLKSJQSA-N 1 1 411.325 4.369 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553336020 941869158 /nfs/dbraw/zinc/86/91/58/941869158.db2.gz DJLRSMXTXFTCPS-LJQANCHMSA-N 1 1 406.408 4.111 20 5 HIBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000554740986 942217403 /nfs/dbraw/zinc/21/74/03/942217403.db2.gz FQGYWQRQQWNRPP-LJQANCHMSA-N 1 1 401.463 4.024 20 5 HIBDMO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000554969832 942337791 /nfs/dbraw/zinc/33/77/91/942337791.db2.gz YMUQUYJPCIAXAH-BONVTDFDSA-N 1 1 412.227 4.206 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000555010404 942354560 /nfs/dbraw/zinc/35/45/60/942354560.db2.gz ARRZXOVRKNDNJR-DENIHFKCSA-N 1 1 423.513 4.120 20 5 HIBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000555217072 942433863 /nfs/dbraw/zinc/43/38/63/942433863.db2.gz DQJOGSJKFVDUFU-UHFFFAOYSA-N 1 1 411.487 4.228 20 5 HIBDMO COc1ccc(C2(C[NH2+][C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000556889269 942952320 /nfs/dbraw/zinc/95/23/20/942952320.db2.gz BRYZHXAYBCVOFP-NRFANRHFSA-N 1 1 406.486 4.138 20 5 HIBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995911 942990245 /nfs/dbraw/zinc/99/02/45/942990245.db2.gz YZLYROWNLVJBPD-KBPBESRZSA-N 1 1 401.429 4.130 20 5 HIBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995911 942990252 /nfs/dbraw/zinc/99/02/52/942990252.db2.gz YZLYROWNLVJBPD-KBPBESRZSA-N 1 1 401.429 4.130 20 5 HIBDMO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000557725628 943270701 /nfs/dbraw/zinc/27/07/01/943270701.db2.gz OGFPKAOTXPZKQW-XCLFUZPHSA-N 1 1 422.441 4.218 20 5 HIBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558027436 943361131 /nfs/dbraw/zinc/36/11/31/943361131.db2.gz XRKALXYKMQLZAI-NPPFBWRTSA-N 1 1 422.529 4.009 20 5 HIBDMO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC(F)(F)CC1 ZINC000558173961 943408847 /nfs/dbraw/zinc/40/88/47/943408847.db2.gz CCQPETCKUXIXKR-UHFFFAOYSA-N 1 1 410.446 4.167 20 5 HIBDMO COc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000558413682 943552887 /nfs/dbraw/zinc/55/28/87/943552887.db2.gz OFFDHAYWXPUIAC-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000560072137 944149502 /nfs/dbraw/zinc/14/95/02/944149502.db2.gz XYUDTGIOOQLINW-HNNXBMFYSA-N 1 1 414.483 4.499 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000560482171 944236682 /nfs/dbraw/zinc/23/66/82/944236682.db2.gz KXNZJWOZASTXGX-HNNXBMFYSA-N 1 1 419.572 4.281 20 5 HIBDMO CCc1nocc1C[N@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000560602295 944270897 /nfs/dbraw/zinc/27/08/97/944270897.db2.gz BCIQAGYMTSNYPA-UHFFFAOYSA-N 1 1 411.458 4.365 20 5 HIBDMO CCc1nocc1C[N@@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000560602295 944270902 /nfs/dbraw/zinc/27/09/02/944270902.db2.gz BCIQAGYMTSNYPA-UHFFFAOYSA-N 1 1 411.458 4.365 20 5 HIBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000560991172 944388906 /nfs/dbraw/zinc/38/89/06/944388906.db2.gz AKXARHSTCJRGTM-LJQANCHMSA-N 1 1 410.518 4.103 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000561403510 944581126 /nfs/dbraw/zinc/58/11/26/944581126.db2.gz GFIJVGMMHACVPF-CQSZACIVSA-N 1 1 405.882 4.148 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000561458991 944613308 /nfs/dbraw/zinc/61/33/08/944613308.db2.gz NQXIBMTWPUJRID-UHFFFAOYSA-N 1 1 405.520 4.282 20 5 HIBDMO C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000561533186 944659840 /nfs/dbraw/zinc/65/98/40/944659840.db2.gz IZJDXZBAEYVNNB-SFHVURJKSA-N 1 1 423.513 4.120 20 5 HIBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000561974573 944882992 /nfs/dbraw/zinc/88/29/92/944882992.db2.gz HEEFZMSHDINLGN-SFHVURJKSA-N 1 1 415.465 4.407 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000564390393 945548905 /nfs/dbraw/zinc/54/89/05/945548905.db2.gz QAXMOAVKJVEBLS-MRXNPFEDSA-N 1 1 424.339 4.132 20 5 HIBDMO CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000564521180 945648928 /nfs/dbraw/zinc/64/89/28/945648928.db2.gz PZIJNFTZNGIORH-IBGZPJMESA-N 1 1 411.502 4.026 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)n1 ZINC000566028902 945978551 /nfs/dbraw/zinc/97/85/51/945978551.db2.gz JZHMGCJYPQCOEY-UHFFFAOYSA-N 1 1 407.474 4.338 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000567936492 946427952 /nfs/dbraw/zinc/42/79/52/946427952.db2.gz ZUYPBJWWCYJFIE-LJQANCHMSA-N 1 1 424.545 4.353 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@H](COC(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568565608 946602201 /nfs/dbraw/zinc/60/22/01/946602201.db2.gz WOUQNXSNMXARBH-KRWDZBQOSA-N 1 1 422.428 4.244 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccc(Cl)cc1 ZINC000570006813 947071106 /nfs/dbraw/zinc/07/11/06/947071106.db2.gz CNRYGCJESDXLJZ-NRFANRHFSA-N 1 1 419.912 4.367 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)s2)cc1 ZINC000570485283 947265018 /nfs/dbraw/zinc/26/50/18/947265018.db2.gz VIUQLGRYYGVEAA-CZUORRHYSA-N 1 1 400.422 4.316 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572203876 947862579 /nfs/dbraw/zinc/86/25/79/947862579.db2.gz WWBQNGLOHZHHDW-UHFFFAOYSA-N 1 1 416.497 4.023 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000573844648 948308674 /nfs/dbraw/zinc/30/86/74/948308674.db2.gz AZQBFAVAPSQOFP-OAQYLSRUSA-N 1 1 418.877 4.422 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000573844648 948308684 /nfs/dbraw/zinc/30/86/84/948308684.db2.gz AZQBFAVAPSQOFP-OAQYLSRUSA-N 1 1 418.877 4.422 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574108771 948366516 /nfs/dbraw/zinc/36/65/16/948366516.db2.gz VVZBPMZWZILHEC-DVECYGJZSA-N 1 1 422.529 4.272 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000574243663 948396361 /nfs/dbraw/zinc/39/63/61/948396361.db2.gz RZBQDIUNPWWHKJ-MOPGFXCFSA-N 1 1 422.407 4.358 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000574243663 948396366 /nfs/dbraw/zinc/39/63/66/948396366.db2.gz RZBQDIUNPWWHKJ-MOPGFXCFSA-N 1 1 422.407 4.358 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@](CO)(Cc4ccc(F)cc4)C3)o2)cc1 ZINC000574845403 948542246 /nfs/dbraw/zinc/54/22/46/948542246.db2.gz BXYKGIIGFLEHIO-HSZRJFAPSA-N 1 1 410.445 4.421 20 5 HIBDMO CSc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000575452962 948669087 /nfs/dbraw/zinc/66/90/87/948669087.db2.gz YRCVIINRFNEUEF-JOCHJYFZSA-N 1 1 411.527 4.055 20 5 HIBDMO O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164619225 719056171 /nfs/dbraw/zinc/05/61/71/719056171.db2.gz CBNROVCGSUFVBK-CRAIPNDOSA-N 1 1 422.863 4.289 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629159 719068036 /nfs/dbraw/zinc/06/80/36/719068036.db2.gz WDDAILJYIXZUMD-WMLDXEAASA-N 1 1 407.301 4.397 20 5 HIBDMO C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)[C@@H](C)C[N@@H+]1C ZINC001164634596 719257617 /nfs/dbraw/zinc/25/76/17/719257617.db2.gz NGRNHEQUVPNOMA-OLZOCXBDSA-N 1 1 410.852 4.384 20 5 HIBDMO C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)[C@@H](C)C[N@H+]1C ZINC001164634596 719257622 /nfs/dbraw/zinc/25/76/22/719257622.db2.gz NGRNHEQUVPNOMA-OLZOCXBDSA-N 1 1 410.852 4.384 20 5 HIBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728285 720478627 /nfs/dbraw/zinc/47/86/27/720478627.db2.gz OYIYTEHZTCXLCX-MSOLQXFVSA-N 1 1 409.877 4.045 20 5 HIBDMO Clc1ccc2ccc3ccc(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)nc3c2n1 ZINC001164783599 721412254 /nfs/dbraw/zinc/41/22/54/721412254.db2.gz JBBBEKZONUYWIN-CALCHBBNSA-N 1 1 421.957 4.461 20 5 HIBDMO Clc1ccc2ccc3ccc(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)nc3c2n1 ZINC001164783599 721412257 /nfs/dbraw/zinc/41/22/57/721412257.db2.gz JBBBEKZONUYWIN-CALCHBBNSA-N 1 1 421.957 4.461 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]21 ZINC001165027451 721809978 /nfs/dbraw/zinc/80/99/78/721809978.db2.gz UTEAEBVKYFBFAA-ZPMCFJSWSA-N 1 1 417.513 4.275 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001165027361 721810417 /nfs/dbraw/zinc/81/04/17/721810417.db2.gz UJIWKYVKKWDXPU-SESVDKBCSA-N 1 1 417.513 4.275 20 5 HIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994847 722197339 /nfs/dbraw/zinc/19/73/39/722197339.db2.gz QFCCOLIOZBRWIN-HXUWFJFHSA-N 1 1 404.873 4.336 20 5 HIBDMO COc1cc(C)c(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000007582705 845368254 /nfs/dbraw/zinc/36/82/54/845368254.db2.gz HHOGJZWREPBGMK-AWEZNQCLSA-N 1 1 412.446 4.163 20 5 HIBDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000007582705 845368262 /nfs/dbraw/zinc/36/82/62/845368262.db2.gz HHOGJZWREPBGMK-AWEZNQCLSA-N 1 1 412.446 4.163 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000436305237 861608934 /nfs/dbraw/zinc/60/89/34/861608934.db2.gz FUPMWFGOBXWTKL-LBPRGKRZSA-N 1 1 400.426 4.394 20 5 HIBDMO CSc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000018215539 846309908 /nfs/dbraw/zinc/30/99/08/846309908.db2.gz WLXFJQGSFTYNEC-UHFFFAOYSA-N 1 1 421.522 4.428 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000018215663 846310226 /nfs/dbraw/zinc/31/02/26/846310226.db2.gz HLPLMKKCJHPJOF-UHFFFAOYSA-N 1 1 421.522 4.428 20 5 HIBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000027969009 847369475 /nfs/dbraw/zinc/36/94/75/847369475.db2.gz HBRMYVMSFVLLCE-UHFFFAOYSA-N 1 1 417.531 4.469 20 5 HIBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436426543 861784886 /nfs/dbraw/zinc/78/48/86/861784886.db2.gz XBVJUPNFIIMKII-HNNXBMFYSA-N 1 1 418.472 4.057 20 5 HIBDMO CC[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000029909777 847648395 /nfs/dbraw/zinc/64/83/95/847648395.db2.gz NAXHKGRLIPXNMR-LPHOPBHVSA-N 1 1 413.543 4.029 20 5 HIBDMO O=C(NC1CC1)c1ccc(C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccco2)cc1 ZINC000052530601 849592189 /nfs/dbraw/zinc/59/21/89/849592189.db2.gz IJJVOTZGKOHBJL-UHFFFAOYSA-N 1 1 419.481 4.325 20 5 HIBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000052706040 849616033 /nfs/dbraw/zinc/61/60/33/849616033.db2.gz LZAAYXPHVGZEIU-HNNXBMFYSA-N 1 1 401.463 4.024 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000053111910 849667508 /nfs/dbraw/zinc/66/75/08/849667508.db2.gz UMQAZBBFRNAMLB-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000053111910 849667514 /nfs/dbraw/zinc/66/75/14/849667514.db2.gz UMQAZBBFRNAMLB-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000053278767 849689363 /nfs/dbraw/zinc/68/93/63/849689363.db2.gz JOYFLELPYLYIAZ-GOSISDBHSA-N 1 1 403.866 4.423 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000055855491 850181430 /nfs/dbraw/zinc/18/14/30/850181430.db2.gz JQWIWIQQSISWIL-JOCHJYFZSA-N 1 1 409.417 4.060 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000058296694 850794855 /nfs/dbraw/zinc/79/48/55/850794855.db2.gz IGOIITBFKFZDKW-MRXNPFEDSA-N 1 1 406.486 4.238 20 5 HIBDMO CCCN1CCC([NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000061016534 851274459 /nfs/dbraw/zinc/27/44/59/851274459.db2.gz SWALAOWALWQKMY-UHFFFAOYSA-N 1 1 413.518 4.146 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000063471096 851697671 /nfs/dbraw/zinc/69/76/71/851697671.db2.gz CGGCLVOMCQWESP-UHFFFAOYSA-N 1 1 411.408 4.499 20 5 HIBDMO O=C(C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000063471181 851697866 /nfs/dbraw/zinc/69/78/66/851697866.db2.gz POOWLPGJNZOSHZ-UHFFFAOYSA-N 1 1 423.419 4.141 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000063496188 851703183 /nfs/dbraw/zinc/70/31/83/851703183.db2.gz RWHCCYOQRVPXLE-UHFFFAOYSA-N 1 1 418.291 4.269 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000063496188 851703191 /nfs/dbraw/zinc/70/31/91/851703191.db2.gz RWHCCYOQRVPXLE-UHFFFAOYSA-N 1 1 418.291 4.269 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000437163204 862358079 /nfs/dbraw/zinc/35/80/79/862358079.db2.gz GBTLUOBFVCNGHU-UHFFFAOYSA-N 1 1 422.338 4.177 20 5 HIBDMO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000108971724 852902060 /nfs/dbraw/zinc/90/20/60/852902060.db2.gz RVAJOKULMFJADT-HNNXBMFYSA-N 1 1 422.485 4.291 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000112654734 853236610 /nfs/dbraw/zinc/23/66/10/853236610.db2.gz LUGVTNWOBFEKOL-NRFANRHFSA-N 1 1 417.481 4.063 20 5 HIBDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000195691227 853760576 /nfs/dbraw/zinc/76/05/76/853760576.db2.gz AXXMXQSNCGBDIN-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO CC[N@@H+]1CCC[C@@H](CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000236930884 853939121 /nfs/dbraw/zinc/93/91/21/853939121.db2.gz AMMXEFVFLPGMHJ-FQEVSTJZSA-N 1 1 413.518 4.004 20 5 HIBDMO CC[N@H+]1CCC[C@@H](CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000236930884 853939129 /nfs/dbraw/zinc/93/91/29/853939129.db2.gz AMMXEFVFLPGMHJ-FQEVSTJZSA-N 1 1 413.518 4.004 20 5 HIBDMO CN1CC[NH+](Cc2cccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)CC1 ZINC000237094734 853963114 /nfs/dbraw/zinc/96/31/14/853963114.db2.gz LUGLZFWJYVXZDK-UHFFFAOYSA-N 1 1 423.542 4.078 20 5 HIBDMO COc1ccc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237180196 853976369 /nfs/dbraw/zinc/97/63/69/853976369.db2.gz XKLOXFNILXXWTO-PZJWPPBQSA-N 1 1 413.518 4.145 20 5 HIBDMO COc1ccc(C([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 ZINC000237485019 854043321 /nfs/dbraw/zinc/04/33/21/854043321.db2.gz JICXPSWOLMTXFQ-UHFFFAOYSA-N 1 1 408.454 4.500 20 5 HIBDMO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1nnnn1-c1ccccc1 ZINC000237582202 854058801 /nfs/dbraw/zinc/05/88/01/854058801.db2.gz CDHMTVQIFQUEKK-AWEZNQCLSA-N 1 1 406.471 4.150 20 5 HIBDMO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237644618 854066731 /nfs/dbraw/zinc/06/67/31/854066731.db2.gz QGAGLAAOCWOOLT-HSZRJFAPSA-N 1 1 424.522 4.494 20 5 HIBDMO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237644665 854066757 /nfs/dbraw/zinc/06/67/57/854066757.db2.gz OHBQEHNRNRLPRL-QFIPXVFZSA-N 1 1 410.495 4.186 20 5 HIBDMO O=C(C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000237879692 854113938 /nfs/dbraw/zinc/11/39/38/854113938.db2.gz IKWGKDDBOGZGPL-UHFFFAOYSA-N 1 1 401.438 4.065 20 5 HIBDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237893664 854116004 /nfs/dbraw/zinc/11/60/04/854116004.db2.gz FWRKQBHHPWCZCY-HSZRJFAPSA-N 1 1 424.522 4.494 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cs2)c1 ZINC000238007521 854132867 /nfs/dbraw/zinc/13/28/67/854132867.db2.gz SZTRAMDKJGSDHU-IBGZPJMESA-N 1 1 422.554 4.373 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCC[N@H+](Cc4ccccc4)C3)cs2)c1 ZINC000238010267 854133475 /nfs/dbraw/zinc/13/34/75/854133475.db2.gz KQYGPIFWNZQWDE-IBGZPJMESA-N 1 1 408.527 4.473 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cs2)c1 ZINC000238010267 854133479 /nfs/dbraw/zinc/13/34/79/854133479.db2.gz KQYGPIFWNZQWDE-IBGZPJMESA-N 1 1 408.527 4.473 20 5 HIBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 ZINC000301287250 854348388 /nfs/dbraw/zinc/34/83/88/854348388.db2.gz RITIVCLSFHGOQQ-UHFFFAOYSA-N 1 1 414.815 4.374 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301534365 854415289 /nfs/dbraw/zinc/41/52/89/854415289.db2.gz LDWFVPFOELIBSY-YLJYHZDGSA-N 1 1 410.518 4.198 20 5 HIBDMO Cc1nc(C[NH+]2CCC(CNc3cc(Br)ccc3[N+](=O)[O-])CC2)oc1C ZINC000301679020 854442986 /nfs/dbraw/zinc/44/29/86/854442986.db2.gz RFLDQZAIFUWFIX-UHFFFAOYSA-N 1 1 423.311 4.286 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301935731 854497800 /nfs/dbraw/zinc/49/78/00/854497800.db2.gz RCTBBRIKHMTWBT-AWEZNQCLSA-N 1 1 411.344 4.233 20 5 HIBDMO Cc1cc(NCc2ccc(C)[nH+]c2N2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302056953 854523629 /nfs/dbraw/zinc/52/36/29/854523629.db2.gz RBPRSVGEUDQBOK-UHFFFAOYSA-N 1 1 404.474 4.276 20 5 HIBDMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000303292847 854856669 /nfs/dbraw/zinc/85/66/69/854856669.db2.gz BKOOCHFXABNDEW-UHFFFAOYSA-N 1 1 408.285 4.296 20 5 HIBDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000303758447 855178804 /nfs/dbraw/zinc/17/88/04/855178804.db2.gz NSKRECAOJBEDFZ-UHFFFAOYSA-N 1 1 424.548 4.282 20 5 HIBDMO Cc1c(Br)c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000310590790 855366491 /nfs/dbraw/zinc/36/64/91/855366491.db2.gz BAPYGPRIBOFAQB-OAHLLOKOSA-N 1 1 405.296 4.137 20 5 HIBDMO Cc1c(Br)c(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000310590790 855366499 /nfs/dbraw/zinc/36/64/99/855366499.db2.gz BAPYGPRIBOFAQB-OAHLLOKOSA-N 1 1 405.296 4.137 20 5 HIBDMO CCCOc1c(Cl)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCC ZINC000425987646 856033637 /nfs/dbraw/zinc/03/36/37/856033637.db2.gz BNNNEQALGMGCIP-UHFFFAOYSA-N 1 1 422.913 4.469 20 5 HIBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)C[C@H]2C1 ZINC000427796669 856959552 /nfs/dbraw/zinc/95/95/52/856959552.db2.gz KLDFRESWRATOCZ-GASCZTMLSA-N 1 1 417.918 4.033 20 5 HIBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437585369 862899487 /nfs/dbraw/zinc/89/94/87/862899487.db2.gz WBBDXNCMYXJOCE-MRXNPFEDSA-N 1 1 402.882 4.234 20 5 HIBDMO CCCOc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000437608181 862924462 /nfs/dbraw/zinc/92/44/62/862924462.db2.gz UEQISNLFEUJBFM-JKSUJKDBSA-N 1 1 422.526 4.119 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+](CCc2ccccc2)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000429282873 857590312 /nfs/dbraw/zinc/59/03/12/857590312.db2.gz DLNFXBVPTLYGKA-UHFFFAOYSA-N 1 1 418.497 4.372 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)O[C@]4(CCO[C@H](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430765690 858296305 /nfs/dbraw/zinc/29/63/05/858296305.db2.gz GGEKLFBBSPZTOV-VVBPWWLESA-N 1 1 416.474 4.022 20 5 HIBDMO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430823560 858318071 /nfs/dbraw/zinc/31/80/71/858318071.db2.gz ODIMGCHELQXKAE-UWJYYQICSA-N 1 1 421.501 4.130 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432327089 859104269 /nfs/dbraw/zinc/10/42/69/859104269.db2.gz RRFTUCILZFRDAT-MRXNPFEDSA-N 1 1 407.474 4.158 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432327088 859104788 /nfs/dbraw/zinc/10/47/88/859104788.db2.gz RRFTUCILZFRDAT-INIZCTEOSA-N 1 1 407.474 4.158 20 5 HIBDMO CCOc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000433047283 859498223 /nfs/dbraw/zinc/49/82/23/859498223.db2.gz WSEZDLDWOJKQDD-VQIMIIECSA-N 1 1 416.522 4.198 20 5 HIBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000434336555 860297293 /nfs/dbraw/zinc/29/72/93/860297293.db2.gz ZKTXEGJYLHGKLV-FQEVSTJZSA-N 1 1 419.485 4.107 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434622290 860436188 /nfs/dbraw/zinc/43/61/88/860436188.db2.gz CLKKINWHPUVWJR-OAQYLSRUSA-N 1 1 403.454 4.400 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435054497 860617957 /nfs/dbraw/zinc/61/79/57/860617957.db2.gz CJJBSLKPBMCJRI-UHFFFAOYSA-N 1 1 409.421 4.330 20 5 HIBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467807040 881630300 /nfs/dbraw/zinc/63/03/00/881630300.db2.gz LQUMCSPCKYKSLB-FZKQIMNGSA-N 1 1 415.877 4.253 20 5 HIBDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000438479684 863896459 /nfs/dbraw/zinc/89/64/59/863896459.db2.gz BYDJDRPGDBATQS-UHFFFAOYSA-N 1 1 409.446 4.494 20 5 HIBDMO CC(C)([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 ZINC000438665978 864119101 /nfs/dbraw/zinc/11/91/01/864119101.db2.gz GGVVRKJRTHSSGC-UHFFFAOYSA-N 1 1 417.263 4.432 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000439169056 864598477 /nfs/dbraw/zinc/59/84/77/864598477.db2.gz MCSHDYJIQWIPRS-UGSOOPFHSA-N 1 1 407.923 4.431 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000439294619 864718760 /nfs/dbraw/zinc/71/87/60/864718760.db2.gz LSWZHQUXTJBWAW-PKTZIBPZSA-N 1 1 423.513 4.474 20 5 HIBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC000439782966 865105635 /nfs/dbraw/zinc/10/56/35/865105635.db2.gz OBCBJISJEZXYOM-XYWHTSSQSA-N 1 1 406.486 4.183 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000439898994 865210698 /nfs/dbraw/zinc/21/06/98/865210698.db2.gz JCGFEVGYQBDKGD-VQIMIIECSA-N 1 1 412.490 4.026 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000440925103 866022248 /nfs/dbraw/zinc/02/22/48/866022248.db2.gz KXPCHTBPXJWUHQ-CZUORRHYSA-N 1 1 415.877 4.396 20 5 HIBDMO COc1ccc(OCC[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000441021789 866087782 /nfs/dbraw/zinc/08/77/82/866087782.db2.gz BOYTXHRYYMRCRG-NRFANRHFSA-N 1 1 413.861 4.410 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441061799 866144228 /nfs/dbraw/zinc/14/42/28/866144228.db2.gz JROSDXGRTXJWOS-NSHDSACASA-N 1 1 401.410 4.458 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441061799 866144256 /nfs/dbraw/zinc/14/42/56/866144256.db2.gz JROSDXGRTXJWOS-NSHDSACASA-N 1 1 401.410 4.458 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Br ZINC000468188646 882065663 /nfs/dbraw/zinc/06/56/63/882065663.db2.gz SVEKPJHWWRKSOX-UHFFFAOYSA-N 1 1 412.671 4.325 20 5 HIBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000442635701 867578957 /nfs/dbraw/zinc/57/89/57/867578957.db2.gz QIVOGUFZGCFETG-FUHWJXTLSA-N 1 1 411.527 4.302 20 5 HIBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442712338 867642828 /nfs/dbraw/zinc/64/28/28/867642828.db2.gz JESVGEJWIHJHFV-UHFFFAOYSA-N 1 1 410.499 4.461 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073738 867811352 /nfs/dbraw/zinc/81/13/52/867811352.db2.gz WRPQCPSOYGPNCS-JXFKEZNVSA-N 1 1 400.475 4.182 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642735 868228950 /nfs/dbraw/zinc/22/89/50/868228950.db2.gz PCTBQHILXOMWPC-ZIAGYGMSSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642735 868228983 /nfs/dbraw/zinc/22/89/83/868228983.db2.gz PCTBQHILXOMWPC-ZIAGYGMSSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650950 868243908 /nfs/dbraw/zinc/24/39/08/868243908.db2.gz QMYIGGRULCCCKK-KBPBESRZSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650950 868243942 /nfs/dbraw/zinc/24/39/42/868243942.db2.gz QMYIGGRULCCCKK-KBPBESRZSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443890398 868428377 /nfs/dbraw/zinc/42/83/77/868428377.db2.gz AAJWQHPHLBKKPX-OAHLLOKOSA-N 1 1 421.419 4.350 20 5 HIBDMO COCC[N@@H+](C)CC[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000443962949 868496257 /nfs/dbraw/zinc/49/62/57/868496257.db2.gz LUIVRXCLOABJOY-IBGZPJMESA-N 1 1 414.506 4.043 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@H+]1Cc1ccccc1 ZINC000444222765 868674583 /nfs/dbraw/zinc/67/45/83/868674583.db2.gz GKTBDKFBHCWMPW-PXNSSMCTSA-N 1 1 411.505 4.074 20 5 HIBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444244993 868693930 /nfs/dbraw/zinc/69/39/30/868693930.db2.gz CDQYEXFUFPVNIX-INIZCTEOSA-N 1 1 409.505 4.061 20 5 HIBDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444776149 868998508 /nfs/dbraw/zinc/99/85/08/868998508.db2.gz BDAZRVNKWRDENM-KRWDZBQOSA-N 1 1 407.392 4.076 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445177651 869262949 /nfs/dbraw/zinc/26/29/49/869262949.db2.gz CJHROKOATMZOOK-IBGZPJMESA-N 1 1 417.553 4.456 20 5 HIBDMO COc1cc(C[N@H+](C)[C@H]2CCOc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC000445879963 869869467 /nfs/dbraw/zinc/86/94/67/869869467.db2.gz JXBIRDIZKPQQTC-HNNXBMFYSA-N 1 1 407.264 4.322 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@H]2CCOc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC000445879963 869869468 /nfs/dbraw/zinc/86/94/68/869869468.db2.gz JXBIRDIZKPQQTC-HNNXBMFYSA-N 1 1 407.264 4.322 20 5 HIBDMO Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2I)cc1[N+](=O)[O-] ZINC000446836647 870755116 /nfs/dbraw/zinc/75/51/16/870755116.db2.gz RXRMNVQOWIHTRA-UHFFFAOYSA-N 1 1 416.646 4.451 20 5 HIBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC000447530082 871396359 /nfs/dbraw/zinc/39/63/59/871396359.db2.gz NFOFHZIOTGDXRT-DSBNJHONSA-N 1 1 409.534 4.060 20 5 HIBDMO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000447543549 871411162 /nfs/dbraw/zinc/41/11/62/871411162.db2.gz RRFLCBAZLXPWOS-AOMKIAJQSA-N 1 1 412.509 4.214 20 5 HIBDMO C[C@H](c1c(F)cccc1F)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460347785 872966358 /nfs/dbraw/zinc/96/63/58/872966358.db2.gz CKWWXWJODMVNNG-CYBMUJFWSA-N 1 1 401.417 4.023 20 5 HIBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cc2[N+](=O)[O-])C1 ZINC000461266470 874275076 /nfs/dbraw/zinc/27/50/76/874275076.db2.gz VVJNZUQZGOKJKX-WSTZPKSXSA-N 1 1 416.566 4.024 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462629796 875741415 /nfs/dbraw/zinc/74/14/15/875741415.db2.gz XLGXFRPYCAQNTA-STZQEDGTSA-N 1 1 409.530 4.333 20 5 HIBDMO Cn1nc2c(c1C[NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CCCC2 ZINC000462877117 875906103 /nfs/dbraw/zinc/90/61/03/875906103.db2.gz XUEYVTPFDWLYBM-UHFFFAOYSA-N 1 1 400.866 4.410 20 5 HIBDMO Cc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885774 875913876 /nfs/dbraw/zinc/91/38/76/875913876.db2.gz UGCPYMKMWWTVBR-UTKZUKDTSA-N 1 1 423.542 4.339 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000462931629 875958993 /nfs/dbraw/zinc/95/89/93/875958993.db2.gz GZCJDGDTPDMSSA-FQEVSTJZSA-N 1 1 421.541 4.213 20 5 HIBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000462941377 875963796 /nfs/dbraw/zinc/96/37/96/875963796.db2.gz AGGBDBQABWVVCT-CYBMUJFWSA-N 1 1 407.312 4.074 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc(C(F)F)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000463053676 876081597 /nfs/dbraw/zinc/08/15/97/876081597.db2.gz JLMVWQMGOYKBBH-UHFFFAOYSA-N 1 1 402.344 4.475 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F ZINC000463155459 876207964 /nfs/dbraw/zinc/20/79/64/876207964.db2.gz ISPSDBNQVQTMJJ-UHFFFAOYSA-N 1 1 422.338 4.177 20 5 HIBDMO CC[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000463420580 876475761 /nfs/dbraw/zinc/47/57/61/876475761.db2.gz ABHIZTYDEPMPNQ-KRWDZBQOSA-N 1 1 421.419 4.180 20 5 HIBDMO CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000463885795 877005855 /nfs/dbraw/zinc/00/58/55/877005855.db2.gz XAHYJHFYMROLRJ-UHFFFAOYSA-N 1 1 421.419 4.350 20 5 HIBDMO CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000463885795 877005869 /nfs/dbraw/zinc/00/58/69/877005869.db2.gz XAHYJHFYMROLRJ-UHFFFAOYSA-N 1 1 421.419 4.350 20 5 HIBDMO COc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c([N+](=O)[O-])cc1F ZINC000464501454 877725199 /nfs/dbraw/zinc/72/51/99/877725199.db2.gz VQTOSGDPASLIOL-CQSZACIVSA-N 1 1 424.432 4.241 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732517 877968459 /nfs/dbraw/zinc/96/84/59/877968459.db2.gz HKSVKILURLTFTM-GOEBONIOSA-N 1 1 401.429 4.169 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757498 877998021 /nfs/dbraw/zinc/99/80/21/877998021.db2.gz OUPQYPWWWVGIOM-CVEARBPZSA-N 1 1 415.515 4.045 20 5 HIBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757498 877998029 /nfs/dbraw/zinc/99/80/29/877998029.db2.gz OUPQYPWWWVGIOM-CVEARBPZSA-N 1 1 415.515 4.045 20 5 HIBDMO CCC[C@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464784905 878032057 /nfs/dbraw/zinc/03/20/57/878032057.db2.gz KGUIFHKGEQBTDX-QFIPXVFZSA-N 1 1 411.502 4.096 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000465183114 878572078 /nfs/dbraw/zinc/57/20/78/878572078.db2.gz HERRUPDSAJYHLY-OAHLLOKOSA-N 1 1 415.515 4.290 20 5 HIBDMO CSc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465187110 878580329 /nfs/dbraw/zinc/58/03/29/878580329.db2.gz IHKSSLWLCAUJPP-HNNXBMFYSA-N 1 1 415.515 4.290 20 5 HIBDMO C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000465980426 879650790 /nfs/dbraw/zinc/65/07/90/879650790.db2.gz LGUBOVNEBBYVEY-FQEVSTJZSA-N 1 1 424.545 4.224 20 5 HIBDMO C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000465980427 879651098 /nfs/dbraw/zinc/65/10/98/879651098.db2.gz LGUBOVNEBBYVEY-HXUWFJFHSA-N 1 1 424.545 4.224 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000466479588 880261536 /nfs/dbraw/zinc/26/15/36/880261536.db2.gz YMPNSQIKTIOHOM-QFIPXVFZSA-N 1 1 411.502 4.332 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370013 881143006 /nfs/dbraw/zinc/14/30/06/881143006.db2.gz NOPPZHPCECDJDQ-ZHRRBRCNSA-N 1 1 400.475 4.039 20 5 HIBDMO COc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467383967 881164619 /nfs/dbraw/zinc/16/46/19/881164619.db2.gz VKJMFYSKJKBICP-FQEVSTJZSA-N 1 1 400.475 4.183 20 5 HIBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000470152714 884421442 /nfs/dbraw/zinc/42/14/42/884421442.db2.gz NYTDOAYLNQQNKV-QFIPXVFZSA-N 1 1 412.465 4.254 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000470163261 884437744 /nfs/dbraw/zinc/43/77/44/884437744.db2.gz KQDVOJPSYDJRFC-IBGZPJMESA-N 1 1 401.532 4.203 20 5 HIBDMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470170010 884448111 /nfs/dbraw/zinc/44/81/11/884448111.db2.gz NGMLLNNLDGKKEL-ZROIWOOFSA-N 1 1 403.866 4.231 20 5 HIBDMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470170010 884448116 /nfs/dbraw/zinc/44/81/16/884448116.db2.gz NGMLLNNLDGKKEL-ZROIWOOFSA-N 1 1 403.866 4.231 20 5 HIBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000470173817 884457015 /nfs/dbraw/zinc/45/70/15/884457015.db2.gz GBTGQJLULTYMDL-VBKFSLOCSA-N 1 1 412.486 4.125 20 5 HIBDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470181168 884469709 /nfs/dbraw/zinc/46/97/09/884469709.db2.gz ZEOXCDXESIPSID-RKCQOLGWSA-N 1 1 409.486 4.418 20 5 HIBDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470181168 884469710 /nfs/dbraw/zinc/46/97/10/884469710.db2.gz ZEOXCDXESIPSID-RKCQOLGWSA-N 1 1 409.486 4.418 20 5 HIBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000470238450 884567524 /nfs/dbraw/zinc/56/75/24/884567524.db2.gz VGFMIIKOLOZGHM-SFHVURJKSA-N 1 1 409.486 4.191 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000471926463 886718560 /nfs/dbraw/zinc/71/85/60/886718560.db2.gz DGWHQYHCXJZXHT-RTWAWAEBSA-N 1 1 410.474 4.011 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000471946976 886748493 /nfs/dbraw/zinc/74/84/93/886748493.db2.gz PUMYLOTZXURMAV-DOTOQJQBSA-N 1 1 408.380 4.181 20 5 HIBDMO Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473423170 888143171 /nfs/dbraw/zinc/14/31/71/888143171.db2.gz WVIPGUIZLHUEOH-HSZRJFAPSA-N 1 1 408.502 4.423 20 5 HIBDMO Cc1c(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000473438477 888158235 /nfs/dbraw/zinc/15/82/35/888158235.db2.gz OZCKLZHLEAEFJC-HSZRJFAPSA-N 1 1 408.502 4.423 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473437521 888158924 /nfs/dbraw/zinc/15/89/24/888158924.db2.gz YIEDVNFTERVQHA-HSZRJFAPSA-N 1 1 424.501 4.123 20 5 HIBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473509963 888238845 /nfs/dbraw/zinc/23/88/45/888238845.db2.gz SJAHQUPTDZNLIP-XMMPIXPASA-N 1 1 418.497 4.204 20 5 HIBDMO C[C@]1(O)CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000475341168 890262243 /nfs/dbraw/zinc/26/22/43/890262243.db2.gz ADCRRIYKIZGIAZ-QHCPKHFHSA-N 1 1 406.486 4.184 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000477622496 892731581 /nfs/dbraw/zinc/73/15/81/892731581.db2.gz QVUBGPRWXBLUFE-UHFFFAOYSA-N 1 1 402.813 4.120 20 5 HIBDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481175121 896510047 /nfs/dbraw/zinc/51/00/47/896510047.db2.gz LWLICZOTMVNXMR-XMSQKQJNSA-N 1 1 420.513 4.293 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCc4c(ncn4-c4ccccc4)C3)o2)c1 ZINC000481200615 896553084 /nfs/dbraw/zinc/55/30/84/896553084.db2.gz RZFHYMDKOXQHLM-UHFFFAOYSA-N 1 1 415.453 4.036 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCc4c(ncn4-c4ccccc4)C3)o2)c1 ZINC000481200615 896553094 /nfs/dbraw/zinc/55/30/94/896553094.db2.gz RZFHYMDKOXQHLM-UHFFFAOYSA-N 1 1 415.453 4.036 20 5 HIBDMO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CC(=O)NCC(F)F)cc2[N+](=O)[O-])c1 ZINC000481820195 897193350 /nfs/dbraw/zinc/19/33/50/897193350.db2.gz YFSDEXRMXXNSMM-UHFFFAOYSA-N 1 1 421.444 4.290 20 5 HIBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481861299 897229118 /nfs/dbraw/zinc/22/91/18/897229118.db2.gz DIRFDQRPHPKVCS-UTKZUKDTSA-N 1 1 413.905 4.375 20 5 HIBDMO CCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481874355 897247060 /nfs/dbraw/zinc/24/70/60/897247060.db2.gz LTBCTRLHGNNWAQ-SFTDATJTSA-N 1 1 423.513 4.120 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000482532009 898119530 /nfs/dbraw/zinc/11/95/30/898119530.db2.gz KCROXCPQZKDTCN-DLBZAZTESA-N 1 1 400.498 4.206 20 5 HIBDMO COc1cc(C[NH2+]C(C)(C)c2ccccc2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000505573228 914278577 /nfs/dbraw/zinc/27/85/77/914278577.db2.gz AOVPDSLNTKOYKI-UHFFFAOYSA-N 1 1 410.417 4.281 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483120367 898808852 /nfs/dbraw/zinc/80/88/52/898808852.db2.gz OEMXIPJQFNROOB-UHFFFAOYSA-N 1 1 403.866 4.075 20 5 HIBDMO CCc1ccc([C@H]2C[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000483428219 899057999 /nfs/dbraw/zinc/05/79/99/899057999.db2.gz CCQIZNPACFAWNJ-JOCHJYFZSA-N 1 1 406.486 4.131 20 5 HIBDMO CCc1ccc([C@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000483428219 899058014 /nfs/dbraw/zinc/05/80/14/899058014.db2.gz CCQIZNPACFAWNJ-JOCHJYFZSA-N 1 1 406.486 4.131 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000485162879 900461789 /nfs/dbraw/zinc/46/17/89/900461789.db2.gz SGVIZEYNHIHGRK-PXNSSMCTSA-N 1 1 410.518 4.056 20 5 HIBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485420472 900718242 /nfs/dbraw/zinc/71/82/42/900718242.db2.gz XBTKVHWGUQZNAB-MBSDFSHPSA-N 1 1 421.476 4.320 20 5 HIBDMO CSc1cccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485500208 900789294 /nfs/dbraw/zinc/78/92/94/900789294.db2.gz XOJLLQYVCTVLNE-SJLPKXTDSA-N 1 1 413.543 4.347 20 5 HIBDMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978123 901195378 /nfs/dbraw/zinc/19/53/78/901195378.db2.gz VOCDUOFXMULUFX-YVEFUNNKSA-N 1 1 407.392 4.296 20 5 HIBDMO CSc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000486406377 901567841 /nfs/dbraw/zinc/56/78/41/901567841.db2.gz KFMMMTBXTQXALR-FUHWJXTLSA-N 1 1 413.543 4.442 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486913815 901960783 /nfs/dbraw/zinc/96/07/83/901960783.db2.gz WWKXNRFLECWMIR-OALUTQOASA-N 1 1 404.417 4.219 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486913815 901960789 /nfs/dbraw/zinc/96/07/89/901960789.db2.gz WWKXNRFLECWMIR-OALUTQOASA-N 1 1 404.417 4.219 20 5 HIBDMO CC(C)[N@H+]1CCc2nc(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)sc2C1 ZINC000487169135 902083960 /nfs/dbraw/zinc/08/39/60/902083960.db2.gz BPSGFSUNXLBSDN-UHFFFAOYSA-N 1 1 414.453 4.126 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000487262667 902124396 /nfs/dbraw/zinc/12/43/96/902124396.db2.gz YDTJZPGMEQNNRB-UHFFFAOYSA-N 1 1 421.906 4.114 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487847063 902405395 /nfs/dbraw/zinc/40/53/95/902405395.db2.gz ZLPORBVAYRGVEI-WAOWUJCRSA-N 1 1 410.518 4.174 20 5 HIBDMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000488159632 902653407 /nfs/dbraw/zinc/65/34/07/902653407.db2.gz HAYYWGCTJZJHJJ-UHFFFAOYSA-N 1 1 411.893 4.063 20 5 HIBDMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000488159632 902653414 /nfs/dbraw/zinc/65/34/14/902653414.db2.gz HAYYWGCTJZJHJJ-UHFFFAOYSA-N 1 1 411.893 4.063 20 5 HIBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@H]21 ZINC000488467208 902839910 /nfs/dbraw/zinc/83/99/10/902839910.db2.gz WWQUQOPGZOORRB-LAUBAEHRSA-N 1 1 411.527 4.302 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000488498711 902856906 /nfs/dbraw/zinc/85/69/06/902856906.db2.gz MRVIBIAYNXYYGY-WWMYMODYSA-N 1 1 413.543 4.102 20 5 HIBDMO COc1cc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)ccc1[N+](=O)[O-] ZINC000489136252 903224474 /nfs/dbraw/zinc/22/44/74/903224474.db2.gz IKPSJIKSDFWZKG-UHFFFAOYSA-N 1 1 412.465 4.208 20 5 HIBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)c1 ZINC000489192558 903252788 /nfs/dbraw/zinc/25/27/88/903252788.db2.gz AZGHJXBCSNSUOL-UHFFFAOYSA-N 1 1 414.531 4.009 20 5 HIBDMO CCOCC[N@H+](CC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489333365 903336472 /nfs/dbraw/zinc/33/64/72/903336472.db2.gz RPAHOQJDPAFOCT-IBGZPJMESA-N 1 1 405.882 4.286 20 5 HIBDMO CCOCC[N@@H+](CC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489333365 903336485 /nfs/dbraw/zinc/33/64/85/903336485.db2.gz RPAHOQJDPAFOCT-IBGZPJMESA-N 1 1 405.882 4.286 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000489529903 903441139 /nfs/dbraw/zinc/44/11/39/903441139.db2.gz MUMRUXIHDJPFJK-OAHLLOKOSA-N 1 1 407.474 4.384 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000489673755 903535929 /nfs/dbraw/zinc/53/59/29/903535929.db2.gz BIUILYQWLCTUPH-LJQANCHMSA-N 1 1 424.545 4.074 20 5 HIBDMO O=[N+]([O-])c1cccc([C@@H](NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc2)c1 ZINC000490179195 903812533 /nfs/dbraw/zinc/81/25/33/903812533.db2.gz WLSXESIIUSIGBT-DEOSSOPVSA-N 1 1 402.498 4.333 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490325605 903907409 /nfs/dbraw/zinc/90/74/09/903907409.db2.gz BLKAVFCNTMXTEP-UXHICEINSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490325605 903907426 /nfs/dbraw/zinc/90/74/26/903907426.db2.gz BLKAVFCNTMXTEP-UXHICEINSA-N 1 1 403.429 4.135 20 5 HIBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000490355587 903949066 /nfs/dbraw/zinc/94/90/66/903949066.db2.gz QGUVHAWRFHSARU-UHFFFAOYSA-N 1 1 415.513 4.447 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000491025841 904376811 /nfs/dbraw/zinc/37/68/11/904376811.db2.gz DHVNAAKRKMOWDF-GOSISDBHSA-N 1 1 413.543 4.301 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(F)c1 ZINC000491093578 904425423 /nfs/dbraw/zinc/42/54/23/904425423.db2.gz WFFHUKNRPNRBBV-CYBMUJFWSA-N 1 1 423.370 4.175 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(F)c1 ZINC000491093578 904425432 /nfs/dbraw/zinc/42/54/32/904425432.db2.gz WFFHUKNRPNRBBV-CYBMUJFWSA-N 1 1 423.370 4.175 20 5 HIBDMO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 ZINC000491143183 904453119 /nfs/dbraw/zinc/45/31/19/904453119.db2.gz XUGDDBPJWHSJCQ-CYBMUJFWSA-N 1 1 410.417 4.449 20 5 HIBDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 ZINC000491143183 904453124 /nfs/dbraw/zinc/45/31/24/904453124.db2.gz XUGDDBPJWHSJCQ-CYBMUJFWSA-N 1 1 410.417 4.449 20 5 HIBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000491150034 904458692 /nfs/dbraw/zinc/45/86/92/904458692.db2.gz UMNFXPJDZUXVBF-OAHLLOKOSA-N 1 1 422.428 4.245 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491425468 904592274 /nfs/dbraw/zinc/59/22/74/904592274.db2.gz ZQUFDFPUECMIOI-WZONZLPQSA-N 1 1 422.529 4.179 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1N1CCOCC1 ZINC000506152393 914826217 /nfs/dbraw/zinc/82/62/17/914826217.db2.gz DVHGXGZQTUUBOR-UHFFFAOYSA-N 1 1 407.470 4.323 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492469452 904856025 /nfs/dbraw/zinc/85/60/25/904856025.db2.gz YCQYYKISXPTENZ-UHFFFAOYSA-N 1 1 412.412 4.434 20 5 HIBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506233611 914856038 /nfs/dbraw/zinc/85/60/38/914856038.db2.gz HWWPVXDDGPLFDG-QGZVFWFLSA-N 1 1 403.866 4.093 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492960438 904967638 /nfs/dbraw/zinc/96/76/38/904967638.db2.gz MGMFJAGYKMHKMK-QUCCMNQESA-N 1 1 410.518 4.128 20 5 HIBDMO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512386362 921122941 /nfs/dbraw/zinc/12/29/41/921122941.db2.gz FOQBRKWCZDEBGU-WBVHZDCISA-N 1 1 400.548 4.461 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000494088120 905421372 /nfs/dbraw/zinc/42/13/72/905421372.db2.gz AVHSQRHLJLKCFN-KRWDZBQOSA-N 1 1 407.580 4.441 20 5 HIBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1F ZINC000494197542 905531580 /nfs/dbraw/zinc/53/15/80/905531580.db2.gz GIRBCLYNPSGUAW-UHFFFAOYSA-N 1 1 419.884 4.224 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2C1 ZINC000494461369 905744221 /nfs/dbraw/zinc/74/42/21/905744221.db2.gz PMIMMIXKIQLZDL-UHFFFAOYSA-N 1 1 405.458 4.004 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)o2)cc1 ZINC000494501187 905793645 /nfs/dbraw/zinc/79/36/45/905793645.db2.gz CDCAMNQJEISVNL-AEFFLSMTSA-N 1 1 418.812 4.057 20 5 HIBDMO CCOc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000512494589 921199566 /nfs/dbraw/zinc/19/95/66/921199566.db2.gz QJCWTGKQIFRVCQ-IBGZPJMESA-N 1 1 417.893 4.214 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1Cc1ccccc1 ZINC000512546414 921227765 /nfs/dbraw/zinc/22/77/65/921227765.db2.gz VDAOPYHQIXXLRN-SJLPKXTDSA-N 1 1 406.486 4.107 20 5 HIBDMO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497569693 907055870 /nfs/dbraw/zinc/05/58/70/907055870.db2.gz QKIVCNZQAQMMKU-LJQANCHMSA-N 1 1 411.477 4.137 20 5 HIBDMO Cn1cc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512697707 921290940 /nfs/dbraw/zinc/29/09/40/921290940.db2.gz UPEPWYZIZHLGPL-JOCHJYFZSA-N 1 1 424.476 4.316 20 5 HIBDMO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000497957463 907425984 /nfs/dbraw/zinc/42/59/84/907425984.db2.gz JKXGTPDVKXRPBO-YLJYHZDGSA-N 1 1 413.543 4.371 20 5 HIBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)C[C@H](C)O1 ZINC000498137672 907657917 /nfs/dbraw/zinc/65/79/17/907657917.db2.gz BXOALIZGRZQWRD-HOTGVXAUSA-N 1 1 420.469 4.005 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1cccs1 ZINC000498151944 907677892 /nfs/dbraw/zinc/67/78/92/907677892.db2.gz GGAIFNTVBOMHBU-JLTOFOAXSA-N 1 1 410.499 4.017 20 5 HIBDMO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498713421 908138937 /nfs/dbraw/zinc/13/89/37/908138937.db2.gz IPBWGCWCVATZQC-HKUYNNGSSA-N 1 1 410.518 4.040 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000502789638 911812469 /nfs/dbraw/zinc/81/24/69/911812469.db2.gz ATPFRTQQJQSIBO-AWEZNQCLSA-N 1 1 419.572 4.335 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000502789638 911812474 /nfs/dbraw/zinc/81/24/74/911812474.db2.gz ATPFRTQQJQSIBO-AWEZNQCLSA-N 1 1 419.572 4.335 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506472723 915071338 /nfs/dbraw/zinc/07/13/38/915071338.db2.gz GSEIMUXDKHILOF-KZNAEPCWSA-N 1 1 413.522 4.292 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000506815692 915574679 /nfs/dbraw/zinc/57/46/79/915574679.db2.gz RKYFIBXVXGMSBM-UHFFFAOYSA-N 1 1 421.501 4.012 20 5 HIBDMO CCOc1c(Br)cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000507131168 915881937 /nfs/dbraw/zinc/88/19/37/915881937.db2.gz DKKFAAWUZSFNGV-UHFFFAOYSA-N 1 1 409.280 4.397 20 5 HIBDMO CCOc1c(Br)cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000507131168 915881944 /nfs/dbraw/zinc/88/19/44/915881944.db2.gz DKKFAAWUZSFNGV-UHFFFAOYSA-N 1 1 409.280 4.397 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2C(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000507146605 915889447 /nfs/dbraw/zinc/88/94/47/915889447.db2.gz WMHCTKAFTWCCGP-LJQANCHMSA-N 1 1 416.522 4.198 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCc1cccc2ccccc21 ZINC000507303611 916065946 /nfs/dbraw/zinc/06/59/46/916065946.db2.gz JPQRXVLTEDSAMV-UHFFFAOYSA-N 1 1 407.470 4.260 20 5 HIBDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1OC ZINC000508639161 917405397 /nfs/dbraw/zinc/40/53/97/917405397.db2.gz UYIFXIBZSZEAHV-UHFFFAOYSA-N 1 1 410.474 4.035 20 5 HIBDMO COc1cc(CNCC[NH+]2CCC(C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509623549 918269124 /nfs/dbraw/zinc/26/91/24/918269124.db2.gz YANRBUDUYJTMSE-UHFFFAOYSA-N 1 1 413.518 4.004 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(NCCNc3cccc(C)[nH+]3)c([N+](=O)[O-])c2)cc1 ZINC000510636306 919076718 /nfs/dbraw/zinc/07/67/18/919076718.db2.gz AVWRJPBRYVQRLN-UHFFFAOYSA-N 1 1 405.458 4.383 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000511061305 919657787 /nfs/dbraw/zinc/65/77/87/919657787.db2.gz AABBKUJUZGINPU-QFIPXVFZSA-N 1 1 409.511 4.036 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000511061305 919657793 /nfs/dbraw/zinc/65/77/93/919657793.db2.gz AABBKUJUZGINPU-QFIPXVFZSA-N 1 1 409.511 4.036 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000511223495 919830151 /nfs/dbraw/zinc/83/01/51/919830151.db2.gz PDICFLUAFOCJNX-NVXWUHKLSA-N 1 1 401.894 4.279 20 5 HIBDMO C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000511322234 919911954 /nfs/dbraw/zinc/91/19/54/919911954.db2.gz GNKZGQLETOGGMV-AWEZNQCLSA-N 1 1 415.877 4.421 20 5 HIBDMO CC(=O)NCC1CC[NH+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000511655436 920321759 /nfs/dbraw/zinc/32/17/59/920321759.db2.gz IWJDDAHCWSNCIB-UHFFFAOYSA-N 1 1 413.543 4.403 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)o2)c1 ZINC000511765088 920449139 /nfs/dbraw/zinc/44/91/39/920449139.db2.gz LXZCGXIRKLNRFL-FSSWDIPSSA-N 1 1 419.481 4.297 20 5 HIBDMO COc1cc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1F ZINC000512228039 920978953 /nfs/dbraw/zinc/97/89/53/920978953.db2.gz NDQTZHLLAXQEDY-OAHLLOKOSA-N 1 1 403.237 4.263 20 5 HIBDMO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccc(F)c1 ZINC000514086196 922410568 /nfs/dbraw/zinc/41/05/68/922410568.db2.gz ZOUVASBLSYKNMW-UHFFFAOYSA-N 1 1 424.270 4.346 20 5 HIBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccc(F)c1 ZINC000514086196 922410572 /nfs/dbraw/zinc/41/05/72/922410572.db2.gz ZOUVASBLSYKNMW-UHFFFAOYSA-N 1 1 424.270 4.346 20 5 HIBDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1 ZINC000514763670 922791777 /nfs/dbraw/zinc/79/17/77/922791777.db2.gz NUFKZGWTQYWWGC-QGZVFWFLSA-N 1 1 408.458 4.108 20 5 HIBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)c1ccccc1 ZINC000515389751 923076144 /nfs/dbraw/zinc/07/61/44/923076144.db2.gz LLUXTBOWXABSFN-OAHLLOKOSA-N 1 1 421.419 4.256 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)c1ccccc1 ZINC000515389751 923076161 /nfs/dbraw/zinc/07/61/61/923076161.db2.gz LLUXTBOWXABSFN-OAHLLOKOSA-N 1 1 421.419 4.256 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000515444227 923104800 /nfs/dbraw/zinc/10/48/00/923104800.db2.gz QQSUKMGHVFDXOM-QHCPKHFHSA-N 1 1 423.444 4.450 20 5 HIBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000516840644 923915675 /nfs/dbraw/zinc/91/56/75/923915675.db2.gz KEWBSDDSEAHKSQ-UHFFFAOYSA-N 1 1 418.925 4.320 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000517683443 926787768 /nfs/dbraw/zinc/78/77/68/926787768.db2.gz ITOKENVHCQUAOV-UHFFFAOYSA-N 1 1 424.526 4.489 20 5 HIBDMO CSc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000518895853 927605981 /nfs/dbraw/zinc/60/59/81/927605981.db2.gz MSILNLZUOLCUIM-YQQQUEKLSA-N 1 1 411.527 4.242 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)c2c(c1)COCO2 ZINC000519000739 927682988 /nfs/dbraw/zinc/68/29/88/927682988.db2.gz RIWYNLHAZJCYLC-OAHLLOKOSA-N 1 1 406.841 4.461 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)c2c(c1)COCO2 ZINC000519000739 927682994 /nfs/dbraw/zinc/68/29/94/927682994.db2.gz RIWYNLHAZJCYLC-OAHLLOKOSA-N 1 1 406.841 4.461 20 5 HIBDMO CC[N@@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000519753834 928066155 /nfs/dbraw/zinc/06/61/55/928066155.db2.gz JLHSEEJOVPROIX-BBRMVZONSA-N 1 1 423.420 4.264 20 5 HIBDMO CC[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000519753834 928066161 /nfs/dbraw/zinc/06/61/61/928066161.db2.gz JLHSEEJOVPROIX-BBRMVZONSA-N 1 1 423.420 4.264 20 5 HIBDMO CC(C)CC[N@H+]1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000520225329 928400387 /nfs/dbraw/zinc/40/03/87/928400387.db2.gz CRWWVZOJTPLTOV-JOCHJYFZSA-N 1 1 408.502 4.174 20 5 HIBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000520312740 928474045 /nfs/dbraw/zinc/47/40/45/928474045.db2.gz PLZHIIRUVVEAMQ-OAHLLOKOSA-N 1 1 420.560 4.115 20 5 HIBDMO CC1CCC(OC2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)CC1 ZINC000520849265 928842244 /nfs/dbraw/zinc/84/22/44/928842244.db2.gz LLSGZVFFNJFRJQ-UHFFFAOYSA-N 1 1 400.479 4.205 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000521829117 929482567 /nfs/dbraw/zinc/48/25/67/929482567.db2.gz OCZXVRVABVHPJG-UHFFFAOYSA-N 1 1 420.874 4.072 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(OCC4CCCCC4)CC3)n2)c1 ZINC000525271621 930123493 /nfs/dbraw/zinc/12/34/93/930123493.db2.gz RACUGUTUWQLNDO-UHFFFAOYSA-N 1 1 400.479 4.206 20 5 HIBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@H]1C ZINC000525358288 930194540 /nfs/dbraw/zinc/19/45/40/930194540.db2.gz JRNFIYQYSZMYFQ-YLJYHZDGSA-N 1 1 410.518 4.465 20 5 HIBDMO COc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531696748 931160156 /nfs/dbraw/zinc/16/01/56/931160156.db2.gz CLWVPCDSGLRTJB-IBGZPJMESA-N 1 1 408.458 4.073 20 5 HIBDMO CC(C)[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000532490699 931459010 /nfs/dbraw/zinc/45/90/10/931459010.db2.gz QNQCTIOEHJGFJS-OAQYLSRUSA-N 1 1 424.526 4.168 20 5 HIBDMO CC(C)[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000532490699 931459014 /nfs/dbraw/zinc/45/90/14/931459014.db2.gz QNQCTIOEHJGFJS-OAQYLSRUSA-N 1 1 424.526 4.168 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000532718690 931606904 /nfs/dbraw/zinc/60/69/04/931606904.db2.gz YYOBQIMXHMWWCF-NRFANRHFSA-N 1 1 421.501 4.346 20 5 HIBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(OC)c(OC)c1 ZINC000532739369 931618537 /nfs/dbraw/zinc/61/85/37/931618537.db2.gz KJHRUFAAIKOYJX-UHFFFAOYSA-N 1 1 411.458 4.332 20 5 HIBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1cccc(Cl)c1 ZINC000532907677 931688038 /nfs/dbraw/zinc/68/80/38/931688038.db2.gz GZWFKFXIGHOJHH-UHFFFAOYSA-N 1 1 414.849 4.016 20 5 HIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1cccc(Cl)c1 ZINC000532907677 931688042 /nfs/dbraw/zinc/68/80/42/931688042.db2.gz GZWFKFXIGHOJHH-UHFFFAOYSA-N 1 1 414.849 4.016 20 5 HIBDMO COc1cccc(NC2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000532989162 931727979 /nfs/dbraw/zinc/72/79/79/931727979.db2.gz HHOGKUSVESHJPN-HNNXBMFYSA-N 1 1 423.473 4.291 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000533012934 931736559 /nfs/dbraw/zinc/73/65/59/931736559.db2.gz LBLFEOJUWRNYJL-HNNXBMFYSA-N 1 1 410.499 4.413 20 5 HIBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000533438368 931869217 /nfs/dbraw/zinc/86/92/17/931869217.db2.gz DXRRXAJLZPUDBZ-BTYIYWSLSA-N 1 1 411.433 4.393 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c2c(c1)COCO2 ZINC000533606882 931920746 /nfs/dbraw/zinc/92/07/46/931920746.db2.gz PVDGJZFEIJHUTF-OAHLLOKOSA-N 1 1 418.877 4.406 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c2c(c1)COCO2 ZINC000533606882 931920751 /nfs/dbraw/zinc/92/07/51/931920751.db2.gz PVDGJZFEIJHUTF-OAHLLOKOSA-N 1 1 418.877 4.406 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534228266 932347679 /nfs/dbraw/zinc/34/76/79/932347679.db2.gz HMHKBGXPMWOZGO-IFXJQAMLSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1ccc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1[N+](=O)[O-] ZINC000534966058 932864896 /nfs/dbraw/zinc/86/48/96/932864896.db2.gz AHXGSNNIWHVSGS-UHFFFAOYSA-N 1 1 408.502 4.423 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2)C1 ZINC000534982006 932874509 /nfs/dbraw/zinc/87/45/09/932874509.db2.gz UFWNBOPJTYLSOE-HNNXBMFYSA-N 1 1 408.458 4.049 20 5 HIBDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000535080334 932898780 /nfs/dbraw/zinc/89/87/80/932898780.db2.gz TYOGVVYXFZNUHF-OAQYLSRUSA-N 1 1 406.486 4.211 20 5 HIBDMO C[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537323683 933716694 /nfs/dbraw/zinc/71/66/94/933716694.db2.gz LHABWKOOTVYQMD-XMSQKQJNSA-N 1 1 419.529 4.138 20 5 HIBDMO C[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000537323683 933716698 /nfs/dbraw/zinc/71/66/98/933716698.db2.gz LHABWKOOTVYQMD-XMSQKQJNSA-N 1 1 419.529 4.138 20 5 HIBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618781 938335676 /nfs/dbraw/zinc/33/56/76/938335676.db2.gz KQIDHCUAWDDSHS-UWJYYQICSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618781 938335679 /nfs/dbraw/zinc/33/56/79/938335679.db2.gz KQIDHCUAWDDSHS-UWJYYQICSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618781 938335681 /nfs/dbraw/zinc/33/56/81/938335681.db2.gz KQIDHCUAWDDSHS-UWJYYQICSA-N 1 1 413.518 4.097 20 5 HIBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC2)cc1 ZINC000537631476 938341573 /nfs/dbraw/zinc/34/15/73/938341573.db2.gz UZIMEIGOUBWDSU-UHFFFAOYSA-N 1 1 414.412 4.307 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537646614 938345376 /nfs/dbraw/zinc/34/53/76/938345376.db2.gz DUULYDHBJRWCDM-ZGRWHYIRSA-N 1 1 413.440 4.121 20 5 HIBDMO Cn1cc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537660884 938348930 /nfs/dbraw/zinc/34/89/30/938348930.db2.gz KECRRIZBLXUYRZ-SFHVURJKSA-N 1 1 412.877 4.302 20 5 HIBDMO Cc1ccc([C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000537731221 938365028 /nfs/dbraw/zinc/36/50/28/938365028.db2.gz WOBXRQYPOQYEMD-IBGZPJMESA-N 1 1 420.469 4.125 20 5 HIBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000537734281 938365754 /nfs/dbraw/zinc/36/57/54/938365754.db2.gz GKENITHGKBVLGI-QGZVFWFLSA-N 1 1 410.518 4.287 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000537943436 938426476 /nfs/dbraw/zinc/42/64/76/938426476.db2.gz NWMFVWCPCLEZSE-IWMITWMQSA-N 1 1 403.910 4.279 20 5 HIBDMO CCOc1cc(C[N@H+]2C[C@H](C)CC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538726991 938693339 /nfs/dbraw/zinc/69/33/39/938693339.db2.gz MOMKESITRSQAMC-MRXNPFEDSA-N 1 1 416.522 4.198 20 5 HIBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000538728298 938693738 /nfs/dbraw/zinc/69/37/38/938693738.db2.gz KTKOGNVYVWFKIL-STQMWFEESA-N 1 1 409.280 4.353 20 5 HIBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)C2 ZINC000538738168 938697462 /nfs/dbraw/zinc/69/74/62/938697462.db2.gz DAHZXONZYSYHRJ-OAQYLSRUSA-N 1 1 415.877 4.143 20 5 HIBDMO CC(C)(O)C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000538737268 938697856 /nfs/dbraw/zinc/69/78/56/938697856.db2.gz SJFWUDDELAZJRV-UHFFFAOYSA-N 1 1 418.465 4.278 20 5 HIBDMO CC[N@@H+](CCC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1)CC(C)C ZINC000539106418 938803951 /nfs/dbraw/zinc/80/39/51/938803951.db2.gz XDPXDLLQDWDCDN-UHFFFAOYSA-N 1 1 416.566 4.071 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1)CC(C)C ZINC000539135696 938809137 /nfs/dbraw/zinc/80/91/37/938809137.db2.gz NLYFRKMBZQIYQW-UHFFFAOYSA-N 1 1 400.523 4.296 20 5 HIBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000539312176 938839351 /nfs/dbraw/zinc/83/93/51/938839351.db2.gz IRIBNRQCCGWIAK-KRWDZBQOSA-N 1 1 400.498 4.035 20 5 HIBDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000539832559 938951430 /nfs/dbraw/zinc/95/14/30/938951430.db2.gz ULQPNDGTEQDXTI-HNNXBMFYSA-N 1 1 420.428 4.326 20 5 HIBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540961965 939421443 /nfs/dbraw/zinc/42/14/43/939421443.db2.gz LVNSLRTXDRDOIP-OLZOCXBDSA-N 1 1 409.280 4.210 20 5 HIBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1F ZINC000541067031 939447703 /nfs/dbraw/zinc/44/77/03/939447703.db2.gz OUJMYBWQFUDUOM-UHFFFAOYSA-N 1 1 419.884 4.224 20 5 HIBDMO CC(C)(NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000541474282 939530737 /nfs/dbraw/zinc/53/07/37/939530737.db2.gz BGQYHMVVHIDHLS-QGZVFWFLSA-N 1 1 410.518 4.453 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[N@H+]1C1CC1 ZINC000541724942 939614745 /nfs/dbraw/zinc/61/47/45/939614745.db2.gz NPPQTVGDOMZHTI-GOEBONIOSA-N 1 1 403.548 4.232 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[N@H+]1C1CC1 ZINC000541724944 939614789 /nfs/dbraw/zinc/61/47/89/939614789.db2.gz NPPQTVGDOMZHTI-ZBFHGGJFSA-N 1 1 403.548 4.232 20 5 HIBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541785251 939629632 /nfs/dbraw/zinc/62/96/32/939629632.db2.gz JXHCQJWTRUUAFR-XIKOKIGWSA-N 1 1 424.835 4.341 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000541985783 939670241 /nfs/dbraw/zinc/67/02/41/939670241.db2.gz NLGPISMRVYTUNZ-YQVWRLOYSA-N 1 1 407.555 4.333 20 5 HIBDMO Cn1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(-c2ccccc2)n1 ZINC000541995439 939673552 /nfs/dbraw/zinc/67/35/52/939673552.db2.gz RQMXUGBSECQUSA-UHFFFAOYSA-N 1 1 405.483 4.409 20 5 HIBDMO COc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542031628 939693525 /nfs/dbraw/zinc/69/35/25/939693525.db2.gz FHFYQBSKEBIKAE-UYAOXDASSA-N 1 1 424.501 4.122 20 5 HIBDMO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000542035501 939694449 /nfs/dbraw/zinc/69/44/49/939694449.db2.gz FUQOGVRBXDVKJV-VQIMIIECSA-N 1 1 412.490 4.293 20 5 HIBDMO Cc1cc2cc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)oc2cc1C ZINC000542665129 939852664 /nfs/dbraw/zinc/85/26/64/939852664.db2.gz DHINOOHFBKUDKK-HNNXBMFYSA-N 1 1 402.472 4.082 20 5 HIBDMO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000543633240 940143370 /nfs/dbraw/zinc/14/33/70/940143370.db2.gz BQJNZKFRHHROHO-QHCPKHFHSA-N 1 1 424.522 4.494 20 5 HIBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)sc2C1 ZINC000544070031 940316782 /nfs/dbraw/zinc/31/67/82/940316782.db2.gz CJQLFWQWUKEGRV-UHFFFAOYSA-N 1 1 414.409 4.089 20 5 HIBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)sc2C1 ZINC000544070031 940316785 /nfs/dbraw/zinc/31/67/85/940316785.db2.gz CJQLFWQWUKEGRV-UHFFFAOYSA-N 1 1 414.409 4.089 20 5 HIBDMO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 ZINC000544826972 940517865 /nfs/dbraw/zinc/51/78/65/940517865.db2.gz JLERBXUQNKHUJE-CBPXPLCBSA-N 1 1 400.475 4.156 20 5 HIBDMO COc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000545561124 940574646 /nfs/dbraw/zinc/57/46/46/940574646.db2.gz UWSPLIQJKQODCM-UHFFFAOYSA-N 1 1 412.486 4.185 20 5 HIBDMO Cc1c(Cc2noc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)cccc1[N+](=O)[O-] ZINC000546487068 940833186 /nfs/dbraw/zinc/83/31/86/940833186.db2.gz ZBQYQTMGZGIDJU-GOSISDBHSA-N 1 1 410.449 4.396 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549252205 941174379 /nfs/dbraw/zinc/17/43/79/941174379.db2.gz BBGFBPIFDBRRSB-HXUWFJFHSA-N 1 1 412.490 4.026 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000549294671 941177786 /nfs/dbraw/zinc/17/77/86/941177786.db2.gz UFSDEKHRACPNQG-UHFFFAOYSA-N 1 1 423.513 4.122 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NCc3c(Cl)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549477265 941194613 /nfs/dbraw/zinc/19/46/13/941194613.db2.gz PZNKMHCPKKWVOL-TZIWHRDSSA-N 1 1 401.894 4.324 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NCc3c(Cl)cccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000549477265 941194614 /nfs/dbraw/zinc/19/46/14/941194614.db2.gz PZNKMHCPKKWVOL-TZIWHRDSSA-N 1 1 401.894 4.324 20 5 HIBDMO COc1cccc([C@@H]2[C@H](NCc3c(Cl)cccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000549477265 941194615 /nfs/dbraw/zinc/19/46/15/941194615.db2.gz PZNKMHCPKKWVOL-TZIWHRDSSA-N 1 1 401.894 4.324 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)nc1 ZINC000549527614 941198140 /nfs/dbraw/zinc/19/81/40/941198140.db2.gz ULOPJIJYKRABOX-CQSZACIVSA-N 1 1 422.407 4.168 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)nc1 ZINC000549527614 941198141 /nfs/dbraw/zinc/19/81/41/941198141.db2.gz ULOPJIJYKRABOX-CQSZACIVSA-N 1 1 422.407 4.168 20 5 HIBDMO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000550970520 941388464 /nfs/dbraw/zinc/38/84/64/941388464.db2.gz MPIUOFPRSVZEAP-AZUAARDMSA-N 1 1 409.530 4.384 20 5 HIBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000551259527 941437239 /nfs/dbraw/zinc/43/72/39/941437239.db2.gz QICRHWUHLMFDIX-ZIAGYGMSSA-N 1 1 424.339 4.049 20 5 HIBDMO Cc1ccc([C@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263051 941438713 /nfs/dbraw/zinc/43/87/13/941438713.db2.gz LDEUYFHGFZAXMW-REWPJTCUSA-N 1 1 423.557 4.483 20 5 HIBDMO Cc1ccc([C@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1[N+](=O)[O-] ZINC000551263051 941438715 /nfs/dbraw/zinc/43/87/15/941438715.db2.gz LDEUYFHGFZAXMW-REWPJTCUSA-N 1 1 423.557 4.483 20 5 HIBDMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000551556849 941501075 /nfs/dbraw/zinc/50/10/75/941501075.db2.gz YTINZMYWXRQCRN-LBPRGKRZSA-N 1 1 407.264 4.303 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000552045020 941573472 /nfs/dbraw/zinc/57/34/72/941573472.db2.gz WEFWEBCRNHLGOX-GOSISDBHSA-N 1 1 415.291 4.013 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)n2)c1 ZINC000552058188 941575957 /nfs/dbraw/zinc/57/59/57/941575957.db2.gz YZCACECPAFOMRU-ZWKOTPCHSA-N 1 1 416.384 4.013 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552066557 941578515 /nfs/dbraw/zinc/57/85/15/941578515.db2.gz NTHQXBZOAGUXSL-YPAWHYETSA-N 1 1 420.513 4.391 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552275829 941620363 /nfs/dbraw/zinc/62/03/63/941620363.db2.gz BLPKHYJTOGTSAK-SFHVURJKSA-N 1 1 420.391 4.149 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000552290303 941623606 /nfs/dbraw/zinc/62/36/06/941623606.db2.gz HFJXZUMLAVGERL-JOCHJYFZSA-N 1 1 404.470 4.058 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000552290303 941623611 /nfs/dbraw/zinc/62/36/11/941623611.db2.gz HFJXZUMLAVGERL-JOCHJYFZSA-N 1 1 404.470 4.058 20 5 HIBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000552922510 941803504 /nfs/dbraw/zinc/80/35/04/941803504.db2.gz GXHPAYXXECGPHK-UHFFFAOYSA-N 1 1 408.845 4.458 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000553595639 941916832 /nfs/dbraw/zinc/91/68/32/941916832.db2.gz CHPVTTHYHDAMLX-OAHLLOKOSA-N 1 1 410.499 4.413 20 5 HIBDMO CC(C)(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000553709350 941948456 /nfs/dbraw/zinc/94/84/56/941948456.db2.gz FBIGZECIJIBLEE-SFHVURJKSA-N 1 1 417.456 4.104 20 5 HIBDMO CC(C)(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000553709349 941948502 /nfs/dbraw/zinc/94/85/02/941948502.db2.gz FBIGZECIJIBLEE-GOSISDBHSA-N 1 1 417.456 4.104 20 5 HIBDMO CCCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555315670 942474202 /nfs/dbraw/zinc/47/42/02/942474202.db2.gz PLVDWAJQRDCNGN-UHFFFAOYSA-N 1 1 401.429 4.132 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556891097 942953485 /nfs/dbraw/zinc/95/34/85/942953485.db2.gz AKDIWXFUVADWLQ-CEWLAPEOSA-N 1 1 410.449 4.067 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556891100 942954362 /nfs/dbraw/zinc/95/43/62/942954362.db2.gz AKDIWXFUVADWLQ-HMXCVIKNSA-N 1 1 410.449 4.067 20 5 HIBDMO C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000557835355 943308411 /nfs/dbraw/zinc/30/84/11/943308411.db2.gz AMKNLHRQCNIBAU-SFHVURJKSA-N 1 1 422.529 4.153 20 5 HIBDMO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000559150664 943854519 /nfs/dbraw/zinc/85/45/19/943854519.db2.gz YXULRCXTOBVHLL-UHFFFAOYSA-N 1 1 415.456 4.474 20 5 HIBDMO CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000560045681 944138863 /nfs/dbraw/zinc/13/88/63/944138863.db2.gz DOGHRZMJCPZWHI-MRXNPFEDSA-N 1 1 421.419 4.350 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3c[nH]nc3C)CC2)cc1OC ZINC000560180068 944189777 /nfs/dbraw/zinc/18/97/77/944189777.db2.gz YOPYQKKDYJKODH-OAHLLOKOSA-N 1 1 416.522 4.439 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000560527255 944242623 /nfs/dbraw/zinc/24/26/23/944242623.db2.gz CEGPKOFOCYYNLM-INIZCTEOSA-N 1 1 421.320 4.074 20 5 HIBDMO COc1ccccc1C1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000561316148 944548257 /nfs/dbraw/zinc/54/82/57/944548257.db2.gz ZTNIUQBXRHZYRM-OAQYLSRUSA-N 1 1 406.486 4.138 20 5 HIBDMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000561423237 944590901 /nfs/dbraw/zinc/59/09/01/944590901.db2.gz PRUUHVRUNHJDIG-RISOHXOYSA-N 1 1 419.884 4.300 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562056367 944914482 /nfs/dbraw/zinc/91/44/82/944914482.db2.gz GOUAXUPLVLOSIS-SJORKVTESA-N 1 1 414.893 4.234 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCO[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000566753695 946087139 /nfs/dbraw/zinc/08/71/39/946087139.db2.gz XEIUYOHUPZNINV-PKTZIBPZSA-N 1 1 420.513 4.492 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)co2)cc1 ZINC000568143203 946480322 /nfs/dbraw/zinc/48/03/22/946480322.db2.gz HIIYDZVERVTGGK-NHCUHLMSSA-N 1 1 418.497 4.204 20 5 HIBDMO C[C@@H]1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1Cc1ccccc1 ZINC000568912229 946747138 /nfs/dbraw/zinc/74/71/38/946747138.db2.gz VULRSSFNSKYELC-IERDGZPVSA-N 1 1 408.527 4.471 20 5 HIBDMO C[C@@H]1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 ZINC000568912229 946747147 /nfs/dbraw/zinc/74/71/47/946747147.db2.gz VULRSSFNSKYELC-IERDGZPVSA-N 1 1 408.527 4.471 20 5 HIBDMO CC(C)c1ccc(-c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1[N+](=O)[O-] ZINC000573014561 948058589 /nfs/dbraw/zinc/05/85/89/948058589.db2.gz UNNKZZMLTIGJFP-UHFFFAOYSA-N 1 1 408.458 4.267 20 5 HIBDMO COc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000573886522 948320988 /nfs/dbraw/zinc/32/09/88/948320988.db2.gz RUXQOEXKWMPDAF-GOSISDBHSA-N 1 1 412.490 4.027 20 5 HIBDMO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000575769711 948700119 /nfs/dbraw/zinc/70/01/19/948700119.db2.gz JMQNDPHKQQTOGY-JZWVFAODSA-N 1 1 419.529 4.060 20 5 HIBDMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967012 948804866 /nfs/dbraw/zinc/80/48/66/948804866.db2.gz NRHZUUXQKYJOOO-RDTXWAMCSA-N 1 1 421.419 4.108 20 5 HIBDMO O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164619226 719056514 /nfs/dbraw/zinc/05/65/14/719056514.db2.gz CBNROVCGSUFVBK-MAUKXSAKSA-N 1 1 422.863 4.289 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164626084 719065815 /nfs/dbraw/zinc/06/58/15/719065815.db2.gz NZWGMGHPNLCRGS-RDJZCZTQSA-N 1 1 422.863 4.289 20 5 HIBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726941 720444915 /nfs/dbraw/zinc/44/49/15/720444915.db2.gz CGXQVXMDKRWWSJ-RTBURBONSA-N 1 1 409.877 4.045 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731094 720478691 /nfs/dbraw/zinc/47/86/91/720478691.db2.gz VPVAABMCAAKCTL-WOJBJXKFSA-N 1 1 419.460 4.044 20 5 HIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164791343 721494708 /nfs/dbraw/zinc/49/47/08/721494708.db2.gz AYDAONIGRCYBCD-UHFFFAOYSA-N 1 1 417.513 4.419 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001165030213 721831027 /nfs/dbraw/zinc/83/10/27/721831027.db2.gz YZQBACKQIMHRJJ-OFAXGOBFSA-N 1 1 417.513 4.275 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436124868 861410375 /nfs/dbraw/zinc/41/03/75/861410375.db2.gz AUDBGJZZLBDRSS-FXAWDEMLSA-N 1 1 411.505 4.247 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000015049603 846004915 /nfs/dbraw/zinc/00/49/15/846004915.db2.gz KYMGTPCXHCVGHS-CYBMUJFWSA-N 1 1 402.838 4.370 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000015049603 846004923 /nfs/dbraw/zinc/00/49/23/846004923.db2.gz KYMGTPCXHCVGHS-CYBMUJFWSA-N 1 1 402.838 4.370 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000016483778 846177629 /nfs/dbraw/zinc/17/76/29/846177629.db2.gz ZEFAZEPODFFWIX-MRXNPFEDSA-N 1 1 405.454 4.310 20 5 HIBDMO Cc1ccc([C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[NH+]2CCCC2)o1 ZINC000436340757 861651011 /nfs/dbraw/zinc/65/10/11/861651011.db2.gz UZBSDMKGYRFRGY-QFIPXVFZSA-N 1 1 415.493 4.150 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000026226363 847107279 /nfs/dbraw/zinc/10/72/79/847107279.db2.gz XQDLHZBVRXXCTJ-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO CCOc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000026454303 847149598 /nfs/dbraw/zinc/14/95/98/847149598.db2.gz LDSYCVCBKUFYAG-ZDUSSCGKSA-N 1 1 423.416 4.054 20 5 HIBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000026454303 847149643 /nfs/dbraw/zinc/14/96/43/847149643.db2.gz LDSYCVCBKUFYAG-ZDUSSCGKSA-N 1 1 423.416 4.054 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436417616 861773224 /nfs/dbraw/zinc/77/32/24/861773224.db2.gz ZZGARWMMIBOZMM-AWEZNQCLSA-N 1 1 400.445 4.490 20 5 HIBDMO COc1cc(C)c(C[N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cc1OC ZINC000027530154 847316717 /nfs/dbraw/zinc/31/67/17/847316717.db2.gz GMLYYRICIOJWEC-UHFFFAOYSA-N 1 1 403.460 4.287 20 5 HIBDMO COc1cc(C)c(C[N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cc1OC ZINC000027530154 847316723 /nfs/dbraw/zinc/31/67/23/847316723.db2.gz GMLYYRICIOJWEC-UHFFFAOYSA-N 1 1 403.460 4.287 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000031053774 847815130 /nfs/dbraw/zinc/81/51/30/847815130.db2.gz IBZJKSZIZKXFAG-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C2CC2)cc1 ZINC000057601188 850678376 /nfs/dbraw/zinc/67/83/76/850678376.db2.gz OFHBUFKSTUFTOG-AWEZNQCLSA-N 1 1 417.893 4.496 20 5 HIBDMO COc1ccc(CNCC2([NH+](C)C)CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061555455 851403758 /nfs/dbraw/zinc/40/37/58/851403758.db2.gz FGPWFQWGBVXDPI-UHFFFAOYSA-N 1 1 413.518 4.146 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000063564882 851715467 /nfs/dbraw/zinc/71/54/67/851715467.db2.gz FBXDSCSGICKJBZ-UHFFFAOYSA-N 1 1 412.309 4.188 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064521832 851920500 /nfs/dbraw/zinc/92/05/00/851920500.db2.gz OYCYAKIAAIRBRH-AWEZNQCLSA-N 1 1 405.545 4.020 20 5 HIBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065099626 852063544 /nfs/dbraw/zinc/06/35/44/852063544.db2.gz MSSZTGOIZACTIX-GOSISDBHSA-N 1 1 422.510 4.113 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065102903 852063680 /nfs/dbraw/zinc/06/36/80/852063680.db2.gz HTVTVHFSMIPVTD-UHFFFAOYSA-N 1 1 424.526 4.489 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000065511796 852162041 /nfs/dbraw/zinc/16/20/41/852162041.db2.gz ATOAAFCCFCBBAM-GOSISDBHSA-N 1 1 410.518 4.011 20 5 HIBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000065881401 852301225 /nfs/dbraw/zinc/30/12/25/852301225.db2.gz LUFVELPJSCADLB-SFHVURJKSA-N 1 1 424.545 4.213 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000071954932 852445360 /nfs/dbraw/zinc/44/53/60/852445360.db2.gz OVJPRYLSNDVWPI-QGZVFWFLSA-N 1 1 422.529 4.474 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000109305971 852949718 /nfs/dbraw/zinc/94/97/18/852949718.db2.gz VUDMXOBTTRFDKP-HKUYNNGSSA-N 1 1 413.543 4.104 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000109305972 852949943 /nfs/dbraw/zinc/94/99/43/852949943.db2.gz VUDMXOBTTRFDKP-MJGOQNOKSA-N 1 1 413.543 4.104 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000112654737 853236830 /nfs/dbraw/zinc/23/68/30/853236830.db2.gz LUGVTNWOBFEKOL-OAQYLSRUSA-N 1 1 417.481 4.063 20 5 HIBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140760912 853451662 /nfs/dbraw/zinc/45/16/62/853451662.db2.gz SSJGGJKFPGWEEH-GGAORHGYSA-N 1 1 418.497 4.434 20 5 HIBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140760912 853451663 /nfs/dbraw/zinc/45/16/63/853451663.db2.gz SSJGGJKFPGWEEH-GGAORHGYSA-N 1 1 418.497 4.434 20 5 HIBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000150248628 853641963 /nfs/dbraw/zinc/64/19/63/853641963.db2.gz XKNRGRAPBKVMHI-HXUWFJFHSA-N 1 1 413.474 4.086 20 5 HIBDMO CC(C)N1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236621353 853904009 /nfs/dbraw/zinc/90/40/09/853904009.db2.gz RTXOLZDMRNHZQZ-UHFFFAOYSA-N 1 1 419.529 4.410 20 5 HIBDMO CCC[N@H+]1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236808620 853926061 /nfs/dbraw/zinc/92/60/61/853926061.db2.gz VAYXDKWUDGUHPO-AWEZNQCLSA-N 1 1 422.323 4.439 20 5 HIBDMO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236989952 853948438 /nfs/dbraw/zinc/94/84/38/853948438.db2.gz FWKRTXSUKIGWBF-RYUDHWBXSA-N 1 1 424.295 4.010 20 5 HIBDMO COc1cc(C[NH2+]C2CCN(C(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237111144 853966818 /nfs/dbraw/zinc/96/68/18/853966818.db2.gz FGDYWQKETNQERE-UHFFFAOYSA-N 1 1 413.518 4.145 20 5 HIBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000247321804 854156907 /nfs/dbraw/zinc/15/69/07/854156907.db2.gz LXEMLLBMZRLBDD-UHFFFAOYSA-N 1 1 409.873 4.359 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301412955 854387288 /nfs/dbraw/zinc/38/72/88/854387288.db2.gz KWJNDHWBEVIMFB-YWZLYKJASA-N 1 1 414.531 4.044 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301567339 854421948 /nfs/dbraw/zinc/42/19/48/854421948.db2.gz JZTDVNDYESPUEF-XLIONFOSSA-N 1 1 410.518 4.056 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1 ZINC000301728744 854453463 /nfs/dbraw/zinc/45/34/63/854453463.db2.gz CAPRFYSPYYMHPF-HNNXBMFYSA-N 1 1 407.474 4.400 20 5 HIBDMO Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)nc(C)[nH+]1 ZINC000301862527 854478508 /nfs/dbraw/zinc/47/85/08/854478508.db2.gz LICAQIRILZICCH-UHFFFAOYSA-N 1 1 404.474 4.145 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1OCc1ccccc1 ZINC000302169193 854541564 /nfs/dbraw/zinc/54/15/64/854541564.db2.gz LCPJWMPUNLRIFM-QUCCMNQESA-N 1 1 408.502 4.022 20 5 HIBDMO Cc1cccc(N2CCC(Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)[nH+]1 ZINC000302181756 854544398 /nfs/dbraw/zinc/54/43/98/854544398.db2.gz QYWXWGAIAFAEEG-UHFFFAOYSA-N 1 1 419.485 4.353 20 5 HIBDMO Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2cccc([N+](=O)[O-])c2n1 ZINC000302882211 854666158 /nfs/dbraw/zinc/66/61/58/854666158.db2.gz JREKACPLIGHOBC-LJQANCHMSA-N 1 1 406.486 4.020 20 5 HIBDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000303671048 855122401 /nfs/dbraw/zinc/12/24/01/855122401.db2.gz YRAYQGXBBXZNRY-IBGZPJMESA-N 1 1 413.474 4.086 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1Cc1ccccc1 ZINC000303805253 855209075 /nfs/dbraw/zinc/20/90/75/855209075.db2.gz XSACQITYOSLJID-UTKZUKDTSA-N 1 1 421.501 4.130 20 5 HIBDMO CCOc1ccc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000303927432 855296520 /nfs/dbraw/zinc/29/65/20/855296520.db2.gz PEIGORMILUWBHT-UHFFFAOYSA-N 1 1 423.469 4.149 20 5 HIBDMO CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000303927432 855296523 /nfs/dbraw/zinc/29/65/23/855296523.db2.gz PEIGORMILUWBHT-UHFFFAOYSA-N 1 1 423.469 4.149 20 5 HIBDMO C[N@@H+]([C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000426229715 856189517 /nfs/dbraw/zinc/18/95/17/856189517.db2.gz ZZQKZMFBPBXBLH-VAMGGRTRSA-N 1 1 417.893 4.163 20 5 HIBDMO CC[C@]1(CO)CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428471685 857212357 /nfs/dbraw/zinc/21/23/57/857212357.db2.gz BZRJCOJUHOXQPP-DEOSSOPVSA-N 1 1 420.513 4.432 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000428884695 857388815 /nfs/dbraw/zinc/38/88/15/857388815.db2.gz HWZOKOPGCIVUNT-IAGOWNOFSA-N 1 1 412.490 4.179 20 5 HIBDMO CSC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286583 857591406 /nfs/dbraw/zinc/59/14/06/857591406.db2.gz SDKRPYJRCNWXIY-KGLIPLIRSA-N 1 1 420.560 4.120 20 5 HIBDMO CSC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286583 857591416 /nfs/dbraw/zinc/59/14/16/857591416.db2.gz SDKRPYJRCNWXIY-KGLIPLIRSA-N 1 1 420.560 4.120 20 5 HIBDMO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000430107300 858034202 /nfs/dbraw/zinc/03/42/02/858034202.db2.gz WNAZOOQSXDGZBU-OAHLLOKOSA-N 1 1 408.545 4.113 20 5 HIBDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000430107300 858034209 /nfs/dbraw/zinc/03/42/09/858034209.db2.gz WNAZOOQSXDGZBU-OAHLLOKOSA-N 1 1 408.545 4.113 20 5 HIBDMO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)no1 ZINC000430236484 858092026 /nfs/dbraw/zinc/09/20/26/858092026.db2.gz BHSQIVUVUQVLTH-UHFFFAOYSA-N 1 1 424.457 4.042 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000430666835 858258713 /nfs/dbraw/zinc/25/87/13/858258713.db2.gz ZQGUOCIMUMTXSC-PBHICJAKSA-N 1 1 421.419 4.397 20 5 HIBDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)c1ccccc1 ZINC000430867912 858346892 /nfs/dbraw/zinc/34/68/92/858346892.db2.gz UIONSVOEFVETJJ-KRWDZBQOSA-N 1 1 422.510 4.203 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000430999658 858399225 /nfs/dbraw/zinc/39/92/25/858399225.db2.gz MRBHCUSKPVMHDB-OAHLLOKOSA-N 1 1 401.488 4.031 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000431685794 858740015 /nfs/dbraw/zinc/74/00/15/858740015.db2.gz LEBARSDNINBHAZ-BEFAXECRSA-N 1 1 416.547 4.274 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000431685797 858740146 /nfs/dbraw/zinc/74/01/46/858740146.db2.gz LEBARSDNINBHAZ-HNAYVOBHSA-N 1 1 416.547 4.274 20 5 HIBDMO CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000431692907 858743874 /nfs/dbraw/zinc/74/38/74/858743874.db2.gz QUYIMEANFUOTLL-ZNLUXHQJSA-N 1 1 410.518 4.398 20 5 HIBDMO C[C@@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433022504 859483296 /nfs/dbraw/zinc/48/32/96/859483296.db2.gz VTBHALPOPXYVCW-CQSZACIVSA-N 1 1 407.923 4.440 20 5 HIBDMO COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n1 ZINC000433022562 859483561 /nfs/dbraw/zinc/48/35/61/859483561.db2.gz VZEQJCJTXGRCJB-UHFFFAOYSA-N 1 1 424.457 4.042 20 5 HIBDMO COC1CC[NH+](C2(CN[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CCCC2)CC1 ZINC000433112751 859526111 /nfs/dbraw/zinc/52/61/11/859526111.db2.gz AIYKBTRYINWBJF-OAQYLSRUSA-N 1 1 401.551 4.330 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000433159249 859546115 /nfs/dbraw/zinc/54/61/15/859546115.db2.gz DERHWRPYMBFIHF-UHFFFAOYSA-N 1 1 424.457 4.042 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(n3ccc(C)n3)CC2)cc1OC ZINC000434492478 860372226 /nfs/dbraw/zinc/37/22/26/860372226.db2.gz HHJVHSWAKZSPFP-INIZCTEOSA-N 1 1 416.522 4.370 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000434976391 860583259 /nfs/dbraw/zinc/58/32/59/860583259.db2.gz BVDSQOTVPJLMRZ-JOCHJYFZSA-N 1 1 419.485 4.186 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000435298847 860725873 /nfs/dbraw/zinc/72/58/73/860725873.db2.gz OOKZPAXRJGUASN-NRFANRHFSA-N 1 1 404.438 4.115 20 5 HIBDMO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437835930 863189845 /nfs/dbraw/zinc/18/98/45/863189845.db2.gz BROXYVCBUVTQRV-FQEVSTJZSA-N 1 1 417.553 4.068 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000438013050 863373079 /nfs/dbraw/zinc/37/30/79/863373079.db2.gz OWEIQNDBLGCHLQ-UHFFFAOYSA-N 1 1 423.448 4.102 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000439148047 864579269 /nfs/dbraw/zinc/57/92/69/864579269.db2.gz QEXFSRAOUBVYJD-HUUCEWRRSA-N 1 1 417.893 4.418 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439884212 865196463 /nfs/dbraw/zinc/19/64/63/865196463.db2.gz SPHZVSHHAYBSAX-AEFFLSMTSA-N 1 1 412.490 4.026 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000439910599 865219229 /nfs/dbraw/zinc/21/92/29/865219229.db2.gz HVWKGINBKJWLFF-IRXDYDNUSA-N 1 1 404.511 4.112 20 5 HIBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441011040 866080283 /nfs/dbraw/zinc/08/02/83/866080283.db2.gz CJXUKLIOHCEJRG-UHFFFAOYSA-N 1 1 403.442 4.314 20 5 HIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441011040 866080309 /nfs/dbraw/zinc/08/03/09/866080309.db2.gz CJXUKLIOHCEJRG-UHFFFAOYSA-N 1 1 403.442 4.314 20 5 HIBDMO Cc1cccc(NCCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000442719684 867645763 /nfs/dbraw/zinc/64/57/63/867645763.db2.gz RYPHTJSSRRJGNG-UHFFFAOYSA-N 1 1 408.483 4.291 20 5 HIBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])CC2 ZINC000442883167 867714283 /nfs/dbraw/zinc/71/42/83/867714283.db2.gz OJFDVECWORSOPN-UHFFFAOYSA-N 1 1 411.527 4.446 20 5 HIBDMO COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071803 867810030 /nfs/dbraw/zinc/81/00/30/867810030.db2.gz QPRREAFBTFDBJW-JXFKEZNVSA-N 1 1 400.475 4.182 20 5 HIBDMO CO[C@H](C)c1nc(CN2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000468238934 882134730 /nfs/dbraw/zinc/13/47/30/882134730.db2.gz ZLYCCUSPIKPVRX-HZPDHXFCSA-N 1 1 404.536 4.028 20 5 HIBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 ZINC000443650903 868246867 /nfs/dbraw/zinc/24/68/67/868246867.db2.gz JJCCKYUEZATDRK-CQSZACIVSA-N 1 1 415.421 4.142 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000443961502 868495144 /nfs/dbraw/zinc/49/51/44/868495144.db2.gz PWTXYUNEIGCWNZ-BEFAXECRSA-N 1 1 402.520 4.478 20 5 HIBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444012066 868534817 /nfs/dbraw/zinc/53/48/17/868534817.db2.gz UVKIEHGWIPIKEP-INIZCTEOSA-N 1 1 423.532 4.451 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444032480 868565303 /nfs/dbraw/zinc/56/53/03/868565303.db2.gz PUNWKRQVJURYOH-HXUWFJFHSA-N 1 1 411.505 4.076 20 5 HIBDMO C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000445165170 869252951 /nfs/dbraw/zinc/25/29/51/869252951.db2.gz YQXQWDAYVFSJIN-SJORKVTESA-N 1 1 403.526 4.064 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cl)cc2I)cc1 ZINC000446847723 870766931 /nfs/dbraw/zinc/76/69/31/870766931.db2.gz OKBDTPIEHZOWHK-UHFFFAOYSA-N 1 1 402.619 4.143 20 5 HIBDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)n1 ZINC000446975626 870874126 /nfs/dbraw/zinc/87/41/26/870874126.db2.gz RYJHOULIFKYXKO-AWEZNQCLSA-N 1 1 413.503 4.152 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000447338788 871232420 /nfs/dbraw/zinc/23/24/20/871232420.db2.gz STWXIXXPFQDGJB-QFIPXVFZSA-N 1 1 409.417 4.060 20 5 HIBDMO COc1cccc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3OC(C)C)CCOCC2)c1F ZINC000447370067 871277942 /nfs/dbraw/zinc/27/79/42/871277942.db2.gz ZBVGSVVCMTVIJJ-UHFFFAOYSA-N 1 1 418.465 4.325 20 5 HIBDMO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000447535515 871399506 /nfs/dbraw/zinc/39/95/06/871399506.db2.gz GQXONLWANIEGKI-RHGYRFJNSA-N 1 1 409.530 4.371 20 5 HIBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000468652797 882789660 /nfs/dbraw/zinc/78/96/60/882789660.db2.gz SKOFYKXHLWXTHH-RMWKRFJVSA-N 1 1 409.530 4.488 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448647 874507838 /nfs/dbraw/zinc/50/78/38/874507838.db2.gz KVYCOEQGAGSJPT-IEBWSBKVSA-N 1 1 421.522 4.404 20 5 HIBDMO Cc1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461951910 875082306 /nfs/dbraw/zinc/08/23/06/875082306.db2.gz DJPMJDKQAKPHOG-MRXNPFEDSA-N 1 1 408.424 4.275 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000462501740 875617487 /nfs/dbraw/zinc/61/74/87/875617487.db2.gz MZNXYIYBTMZEDB-IEBWSBKVSA-N 1 1 411.502 4.195 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000462501741 875618110 /nfs/dbraw/zinc/61/81/10/875618110.db2.gz MZNXYIYBTMZEDB-MJGOQNOKSA-N 1 1 411.502 4.195 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462614413 875726396 /nfs/dbraw/zinc/72/63/96/875726396.db2.gz MCCJQOCRAMPOKF-VLCRHTCISA-N 1 1 409.530 4.190 20 5 HIBDMO COc1ccc(-c2ccc(CNc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)o2)c([N+](=O)[O-])c1 ZINC000462857141 875891350 /nfs/dbraw/zinc/89/13/50/875891350.db2.gz RWIQKUIJPWDHLI-GOSISDBHSA-N 1 1 423.469 4.042 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462921279 875950845 /nfs/dbraw/zinc/95/08/45/875950845.db2.gz DZWVTOSIXBAVAT-OALUTQOASA-N 1 1 415.559 4.253 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000462991201 876005297 /nfs/dbraw/zinc/00/52/97/876005297.db2.gz UISSVTHXYGFKEW-KNQAVFIVSA-N 1 1 409.530 4.287 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161218 876215987 /nfs/dbraw/zinc/21/59/87/876215987.db2.gz MXFZTKUMMICTHI-CJNGLKHVSA-N 1 1 407.392 4.179 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000463964508 877090265 /nfs/dbraw/zinc/09/02/65/877090265.db2.gz OHBJAGPRFLWKPO-KXBFYZLASA-N 1 1 402.520 4.478 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464735456 877971579 /nfs/dbraw/zinc/97/15/79/877971579.db2.gz SUMDPPDVGWMXIF-AWEZNQCLSA-N 1 1 421.847 4.261 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464735456 877971596 /nfs/dbraw/zinc/97/15/96/877971596.db2.gz SUMDPPDVGWMXIF-AWEZNQCLSA-N 1 1 421.847 4.261 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464763668 878008047 /nfs/dbraw/zinc/00/80/47/878008047.db2.gz RIZAIKWBBQICHI-INIZCTEOSA-N 1 1 413.499 4.007 20 5 HIBDMO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464770459 878013110 /nfs/dbraw/zinc/01/31/10/878013110.db2.gz BFRZQJKLDRZAIE-QFIPXVFZSA-N 1 1 411.502 4.048 20 5 HIBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779241 878025657 /nfs/dbraw/zinc/02/56/57/878025657.db2.gz UIOROIHXWWPLNW-GOEBONIOSA-N 1 1 420.560 4.263 20 5 HIBDMO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464783017 878030016 /nfs/dbraw/zinc/03/00/16/878030016.db2.gz DYUUDEDPXHUJDY-HNNXBMFYSA-N 1 1 415.515 4.187 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000464833962 878092636 /nfs/dbraw/zinc/09/26/36/878092636.db2.gz OSGQSIUOLUYONV-KDOFPFPSSA-N 1 1 401.463 4.307 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000464952097 878289491 /nfs/dbraw/zinc/28/94/91/878289491.db2.gz NDUKMKPYZLQBCM-SFHVURJKSA-N 1 1 406.486 4.060 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000466479587 880260794 /nfs/dbraw/zinc/26/07/94/880260794.db2.gz YMPNSQIKTIOHOM-JOCHJYFZSA-N 1 1 411.502 4.332 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466513079 880287192 /nfs/dbraw/zinc/28/71/92/880287192.db2.gz GYAMZCPYQAXBJD-GHTZIAJQSA-N 1 1 410.518 4.178 20 5 HIBDMO C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 ZINC000466795902 880574691 /nfs/dbraw/zinc/57/46/91/880574691.db2.gz QQFBPIKFYYYNQG-UHFFFAOYSA-N 1 1 405.907 4.177 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000467076375 880852125 /nfs/dbraw/zinc/85/21/25/880852125.db2.gz UYWSWIHCYBCARE-UHFFFAOYSA-N 1 1 420.307 4.335 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1cccs1 ZINC000467220902 880949673 /nfs/dbraw/zinc/94/96/73/880949673.db2.gz YCJSZDNGHZBOGL-KSSFIOAISA-N 1 1 422.938 4.192 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccs1 ZINC000467220898 880950075 /nfs/dbraw/zinc/95/00/75/880950075.db2.gz YCJSZDNGHZBOGL-KBXCAEBGSA-N 1 1 422.938 4.192 20 5 HIBDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469304753 883403044 /nfs/dbraw/zinc/40/30/44/883403044.db2.gz ZXJACRHJMMKOLC-NEPJUHHUSA-N 1 1 422.279 4.044 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)cc1Br ZINC000469482142 883713452 /nfs/dbraw/zinc/71/34/52/883713452.db2.gz PSWYRJDBPUXOCJ-UHFFFAOYSA-N 1 1 417.263 4.153 20 5 HIBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470144421 884410345 /nfs/dbraw/zinc/41/03/45/884410345.db2.gz VNTPHROPGXYGHE-UHFFFAOYSA-N 1 1 400.454 4.110 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000470170654 884450340 /nfs/dbraw/zinc/45/03/40/884450340.db2.gz YNUALNVRBDZUBP-GXDHUFHOSA-N 1 1 418.291 4.331 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000470170654 884450350 /nfs/dbraw/zinc/45/03/50/884450350.db2.gz YNUALNVRBDZUBP-GXDHUFHOSA-N 1 1 418.291 4.331 20 5 HIBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000470178235 884461292 /nfs/dbraw/zinc/46/12/92/884461292.db2.gz JDZXPGRPQBYTFO-OBGWFSINSA-N 1 1 415.921 4.348 20 5 HIBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000470231854 884559221 /nfs/dbraw/zinc/55/92/21/884559221.db2.gz TWXXBCPGRRPDBU-SFHVURJKSA-N 1 1 408.502 4.142 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000470381697 884782772 /nfs/dbraw/zinc/78/27/72/884782772.db2.gz HRUNVTRJPNMBSW-UHFFFAOYSA-N 1 1 424.482 4.105 20 5 HIBDMO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470888062 885384498 /nfs/dbraw/zinc/38/44/98/885384498.db2.gz JWHBHADVPNNSQF-QHCPKHFHSA-N 1 1 424.545 4.224 20 5 HIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169035 885725815 /nfs/dbraw/zinc/72/58/15/885725815.db2.gz MNIVAOPLQSGNKW-NRFANRHFSA-N 1 1 406.486 4.393 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472350742 887186339 /nfs/dbraw/zinc/18/63/39/887186339.db2.gz QPXGNNLMCCIVNU-LHSJRXKWSA-N 1 1 401.438 4.154 20 5 HIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472460388 887318568 /nfs/dbraw/zinc/31/85/68/887318568.db2.gz CFNIGJIPSPGOTA-QFIPXVFZSA-N 1 1 420.513 4.389 20 5 HIBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472460388 887318581 /nfs/dbraw/zinc/31/85/81/887318581.db2.gz CFNIGJIPSPGOTA-QFIPXVFZSA-N 1 1 420.513 4.389 20 5 HIBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472460388 887318597 /nfs/dbraw/zinc/31/85/97/887318597.db2.gz CFNIGJIPSPGOTA-QFIPXVFZSA-N 1 1 420.513 4.389 20 5 HIBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473690366 888463985 /nfs/dbraw/zinc/46/39/85/888463985.db2.gz ORZFXKZCRLHUMU-VQIMIIECSA-N 1 1 412.490 4.293 20 5 HIBDMO COc1ccc(CC2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000504494376 913283744 /nfs/dbraw/zinc/28/37/44/913283744.db2.gz VLQPHNVFCRIFSI-UHFFFAOYSA-N 1 1 408.458 4.108 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000473990707 888852569 /nfs/dbraw/zinc/85/25/69/888852569.db2.gz ABJYFPQBYPEADS-NSHDSACASA-N 1 1 413.257 4.304 20 5 HIBDMO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000475113192 889964506 /nfs/dbraw/zinc/96/45/06/889964506.db2.gz RBGYFFBKJRJTGQ-DVECYGJZSA-N 1 1 422.529 4.354 20 5 HIBDMO CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475170950 890037185 /nfs/dbraw/zinc/03/71/85/890037185.db2.gz BLSQQRLFQXDVPJ-NQIIRXRSSA-N 1 1 410.518 4.270 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000475192552 890062239 /nfs/dbraw/zinc/06/22/39/890062239.db2.gz QXFCXAFQECDEOY-BLLLJJGKSA-N 1 1 412.412 4.094 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@](C)(OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475286234 890185840 /nfs/dbraw/zinc/18/58/40/890185840.db2.gz PISANKRUVGHFOS-QFIPXVFZSA-N 1 1 400.475 4.183 20 5 HIBDMO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475304732 890214612 /nfs/dbraw/zinc/21/46/12/890214612.db2.gz RIEFKLFCHLGFPL-LJQANCHMSA-N 1 1 422.510 4.065 20 5 HIBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1Cc2ccccc2C1 ZINC000475484397 890390818 /nfs/dbraw/zinc/39/08/18/890390818.db2.gz DNRHCSOQTVSWMQ-UHFFFAOYSA-N 1 1 411.845 4.140 20 5 HIBDMO COc1ccc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000475623976 890559647 /nfs/dbraw/zinc/55/96/47/890559647.db2.gz IYZKEDTYTOIRJF-CQSZACIVSA-N 1 1 404.772 4.099 20 5 HIBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000475628182 890567540 /nfs/dbraw/zinc/56/75/40/890567540.db2.gz ZUHWENRATKTREY-MGPUTAFESA-N 1 1 406.866 4.278 20 5 HIBDMO COCC[N@@H+](C)CC[C@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccccc1 ZINC000475637694 890579544 /nfs/dbraw/zinc/57/95/44/890579544.db2.gz AOBGWXPSUYRCPA-IBGZPJMESA-N 1 1 414.506 4.043 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000475645786 890588419 /nfs/dbraw/zinc/58/84/19/890588419.db2.gz OUQJTHXFBZVOMH-QFBILLFUSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000475645786 890588424 /nfs/dbraw/zinc/58/84/24/890588424.db2.gz OUQJTHXFBZVOMH-QFBILLFUSA-N 1 1 402.882 4.432 20 5 HIBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cn3cc(Br)ccc3n2)cc1[N+](=O)[O-] ZINC000504905041 913638651 /nfs/dbraw/zinc/63/86/51/913638651.db2.gz BCBLMUZYQITXAE-GFCCVEGCSA-N 1 1 419.279 4.255 20 5 HIBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478026049 893150649 /nfs/dbraw/zinc/15/06/49/893150649.db2.gz GHPWQUYIPIGMBO-LLVKDONJSA-N 1 1 412.273 4.369 20 5 HIBDMO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000478563253 893850324 /nfs/dbraw/zinc/85/03/24/893850324.db2.gz QNRSGNAJBQLEGB-RBBKRZOGSA-N 1 1 421.541 4.386 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000478635685 893888044 /nfs/dbraw/zinc/88/80/44/893888044.db2.gz WERAANASQFHHIV-INIZCTEOSA-N 1 1 407.942 4.294 20 5 HIBDMO Cc1c(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000478772079 894046546 /nfs/dbraw/zinc/04/65/46/894046546.db2.gz WGCJIBIMMCYJSG-KRWDZBQOSA-N 1 1 410.518 4.135 20 5 HIBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000480024329 895372375 /nfs/dbraw/zinc/37/23/75/895372375.db2.gz YSCIMZNPWCQMIC-UZLBHIALSA-N 1 1 411.502 4.037 20 5 HIBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000480024328 895373237 /nfs/dbraw/zinc/37/32/37/895373237.db2.gz YSCIMZNPWCQMIC-OXQOHEQNSA-N 1 1 411.502 4.037 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1)CC(C)C ZINC000480074255 895426963 /nfs/dbraw/zinc/42/69/63/895426963.db2.gz WYISYQMVCHIXCQ-UHFFFAOYSA-N 1 1 404.555 4.193 20 5 HIBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000480267386 895675643 /nfs/dbraw/zinc/67/56/43/895675643.db2.gz QSQFBEAVUPJAMH-UHFFFAOYSA-N 1 1 414.384 4.192 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ccc(C(F)F)cc4)CC3)nc2c1 ZINC000481193537 896545701 /nfs/dbraw/zinc/54/57/01/896545701.db2.gz VMLVRWAENZOIOS-UHFFFAOYSA-N 1 1 401.417 4.121 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCCOC2)O1 ZINC000482454488 898022876 /nfs/dbraw/zinc/02/28/76/898022876.db2.gz FAHLRILSJSMHSY-VLIAUNLRSA-N 1 1 406.866 4.278 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCCOC2)O1 ZINC000482454488 898022880 /nfs/dbraw/zinc/02/28/80/898022880.db2.gz FAHLRILSJSMHSY-VLIAUNLRSA-N 1 1 406.866 4.278 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCCOC2)O1 ZINC000482454486 898023338 /nfs/dbraw/zinc/02/33/38/898023338.db2.gz FAHLRILSJSMHSY-JLTOFOAXSA-N 1 1 406.866 4.278 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCCOC2)O1 ZINC000482454486 898023345 /nfs/dbraw/zinc/02/33/45/898023345.db2.gz FAHLRILSJSMHSY-JLTOFOAXSA-N 1 1 406.866 4.278 20 5 HIBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000482532012 898119500 /nfs/dbraw/zinc/11/95/00/898119500.db2.gz KCROXCPQZKDTCN-IAGOWNOFSA-N 1 1 400.498 4.206 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482803011 898413135 /nfs/dbraw/zinc/41/31/35/898413135.db2.gz XBVSLLDGSWILFY-SIKLNZKXSA-N 1 1 408.502 4.422 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482901259 898520759 /nfs/dbraw/zinc/52/07/59/898520759.db2.gz DDKINIMUCRHJQH-IBGZPJMESA-N 1 1 401.438 4.298 20 5 HIBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000482935273 898556585 /nfs/dbraw/zinc/55/65/85/898556585.db2.gz STVOUEONMNNOFT-HNNXBMFYSA-N 1 1 410.499 4.317 20 5 HIBDMO Cc1cccc(CC2(O)CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000482939192 898561746 /nfs/dbraw/zinc/56/17/46/898561746.db2.gz XJLVXIVFHLZNGU-QGZVFWFLSA-N 1 1 422.485 4.084 20 5 HIBDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000483064690 898743476 /nfs/dbraw/zinc/74/34/76/898743476.db2.gz YNIHPFRHJNAXMF-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO COc1cc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505579715 914287677 /nfs/dbraw/zinc/28/76/77/914287677.db2.gz AKBSPIWFDYZVQW-GFCCVEGCSA-N 1 1 423.416 4.057 20 5 HIBDMO CCOc1cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000483231863 898876142 /nfs/dbraw/zinc/87/61/42/898876142.db2.gz JLCSBJHLMHHZLV-OAHLLOKOSA-N 1 1 418.799 4.489 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483400217 899033695 /nfs/dbraw/zinc/03/36/95/899033695.db2.gz CZCRUGSFGNXGJU-ZDUSSCGKSA-N 1 1 409.408 4.166 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)nc2c1 ZINC000483471117 899114331 /nfs/dbraw/zinc/11/43/31/899114331.db2.gz QDOQHTAWLOIYGI-RXVVDRJESA-N 1 1 406.486 4.223 20 5 HIBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483596857 899246776 /nfs/dbraw/zinc/24/67/76/899246776.db2.gz WCNVLEAJQDTTSN-FPOVZHCZSA-N 1 1 418.497 4.203 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484950591 900318178 /nfs/dbraw/zinc/31/81/78/900318178.db2.gz XKNBGLQNCLKQOS-NHCUHLMSSA-N 1 1 407.514 4.114 20 5 HIBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485162937 900461426 /nfs/dbraw/zinc/46/14/26/900461426.db2.gz SRJHNLGMBCCQMB-QUCCMNQESA-N 1 1 422.529 4.153 20 5 HIBDMO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000486361102 901529664 /nfs/dbraw/zinc/52/96/64/901529664.db2.gz PJHZUVMMPPSKGO-ROUUACIJSA-N 1 1 411.502 4.167 20 5 HIBDMO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000486361103 901530167 /nfs/dbraw/zinc/53/01/67/901530167.db2.gz PJHZUVMMPPSKGO-ZWKOTPCHSA-N 1 1 411.502 4.167 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000486753919 901830758 /nfs/dbraw/zinc/83/07/58/901830758.db2.gz QVELKXWTNAWHMR-DLBZAZTESA-N 1 1 405.564 4.433 20 5 HIBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000505924349 914573033 /nfs/dbraw/zinc/57/30/33/914573033.db2.gz FSIPWAIQSVEINB-ULQDDVLXSA-N 1 1 423.941 4.129 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)CC(C)C ZINC000486830900 901883107 /nfs/dbraw/zinc/88/31/07/901883107.db2.gz CCOIVGQYDUZESB-UHFFFAOYSA-N 1 1 411.493 4.022 20 5 HIBDMO CC(C)(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487009142 902012478 /nfs/dbraw/zinc/01/24/78/902012478.db2.gz GWFRHIKGQCPJOK-LJQANCHMSA-N 1 1 409.530 4.187 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487516291 902231112 /nfs/dbraw/zinc/23/11/12/902231112.db2.gz HTXZIRGUGZEBRG-KBXCAEBGSA-N 1 1 402.882 4.280 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000488498709 902856089 /nfs/dbraw/zinc/85/60/89/902856089.db2.gz MRVIBIAYNXYYGY-FIKGOQFSSA-N 1 1 413.543 4.102 20 5 HIBDMO CC(C)(NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000488969751 903100397 /nfs/dbraw/zinc/10/03/97/903100397.db2.gz JWMFRVIUQDSNRS-IHWFROFDSA-N 1 1 422.529 4.325 20 5 HIBDMO Cc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489276109 903301107 /nfs/dbraw/zinc/30/11/07/903301107.db2.gz JBKPAQABISNMJK-UHFFFAOYSA-N 1 1 403.486 4.073 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000489319520 903329281 /nfs/dbraw/zinc/32/92/81/903329281.db2.gz GZFOQGHJUSYSFE-HNAYVOBHSA-N 1 1 416.547 4.274 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489509334 903430561 /nfs/dbraw/zinc/43/05/61/903430561.db2.gz GRQRSOPVFYBIHB-CVDCTZTESA-N 1 1 424.545 4.425 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000489869444 903642155 /nfs/dbraw/zinc/64/21/55/903642155.db2.gz FKHIKQGOGCSEGH-HDICACEKSA-N 1 1 402.539 4.027 20 5 HIBDMO C[C@H]1CN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000490172236 903808890 /nfs/dbraw/zinc/80/88/90/903808890.db2.gz MEOWRFFYFUMVQP-UUOWRZLLSA-N 1 1 418.497 4.094 20 5 HIBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300198 903888652 /nfs/dbraw/zinc/88/86/52/903888652.db2.gz OSABACJQTWTCNY-SIKLNZKXSA-N 1 1 417.456 4.064 20 5 HIBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300198 903888658 /nfs/dbraw/zinc/88/86/58/903888658.db2.gz OSABACJQTWTCNY-SIKLNZKXSA-N 1 1 417.456 4.064 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490325610 903906684 /nfs/dbraw/zinc/90/66/84/903906684.db2.gz BLKAVFCNTMXTEP-WOJBJXKFSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490325610 903906700 /nfs/dbraw/zinc/90/67/00/903906700.db2.gz BLKAVFCNTMXTEP-WOJBJXKFSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490325708 903907437 /nfs/dbraw/zinc/90/74/37/903907437.db2.gz BZSXZXRKJOGFHM-QUCCMNQESA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490325708 903907447 /nfs/dbraw/zinc/90/74/47/903907447.db2.gz BZSXZXRKJOGFHM-QUCCMNQESA-N 1 1 403.429 4.135 20 5 HIBDMO COc1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490550595 904094555 /nfs/dbraw/zinc/09/45/55/904094555.db2.gz WZLVHIBVMXQBSG-MRXNPFEDSA-N 1 1 414.449 4.171 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000491973914 904745740 /nfs/dbraw/zinc/74/57/40/904745740.db2.gz AAQVBBDXOXYLJR-AWEZNQCLSA-N 1 1 420.872 4.421 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000491973914 904745752 /nfs/dbraw/zinc/74/57/52/904745752.db2.gz AAQVBBDXOXYLJR-AWEZNQCLSA-N 1 1 420.872 4.421 20 5 HIBDMO CC(C)c1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000492059270 904780079 /nfs/dbraw/zinc/78/00/79/904780079.db2.gz GTDRHQJHOJSAFN-QGZVFWFLSA-N 1 1 411.271 4.443 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493001384 904979081 /nfs/dbraw/zinc/97/90/81/904979081.db2.gz FIVGMWJSRMTGQD-ZDUSSCGKSA-N 1 1 421.847 4.261 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493001384 904979093 /nfs/dbraw/zinc/97/90/93/904979093.db2.gz FIVGMWJSRMTGQD-ZDUSSCGKSA-N 1 1 421.847 4.261 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000493307837 905081752 /nfs/dbraw/zinc/08/17/52/905081752.db2.gz BESBVFSBQVSTKU-RTBURBONSA-N 1 1 410.518 4.270 20 5 HIBDMO C[C@@H]1[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@H+]1Cc1ccccc1 ZINC000494059022 905398026 /nfs/dbraw/zinc/39/80/26/905398026.db2.gz HOOHEEWNTOWCOQ-VGOFRKELSA-N 1 1 411.505 4.074 20 5 HIBDMO C[C@@H]1[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000494069337 905406014 /nfs/dbraw/zinc/40/60/14/905406014.db2.gz OJQWDYQQXQKNKW-DYESRHJHSA-N 1 1 416.481 4.050 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000494489044 905773116 /nfs/dbraw/zinc/77/31/16/905773116.db2.gz CCPZWCHKZGDTKD-WMZOPIPTSA-N 1 1 418.812 4.057 20 5 HIBDMO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494517337 905807144 /nfs/dbraw/zinc/80/71/44/905807144.db2.gz YIIDGYFHTLBXTA-NSHDSACASA-N 1 1 411.380 4.431 20 5 HIBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000512521613 921212865 /nfs/dbraw/zinc/21/28/65/921212865.db2.gz HNZPAXAEEULDPT-CQSZACIVSA-N 1 1 405.882 4.246 20 5 HIBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495104585 906242143 /nfs/dbraw/zinc/24/21/43/906242143.db2.gz YJNOTKOANHHQPN-MSOLQXFVSA-N 1 1 411.502 4.024 20 5 HIBDMO COc1cc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000512678575 921284789 /nfs/dbraw/zinc/28/47/89/921284789.db2.gz PZNZJYOQKCHQJY-UHFFFAOYSA-N 1 1 408.401 4.323 20 5 HIBDMO COc1cc(C[N@H+](Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000512678575 921284794 /nfs/dbraw/zinc/28/47/94/921284794.db2.gz PZNZJYOQKCHQJY-UHFFFAOYSA-N 1 1 408.401 4.323 20 5 HIBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000497872173 907348744 /nfs/dbraw/zinc/34/87/44/907348744.db2.gz RCNXTVVMDIRJQR-UHFFFAOYSA-N 1 1 401.894 4.029 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1cccs1 ZINC000498151945 907676913 /nfs/dbraw/zinc/67/69/13/907676913.db2.gz GGAIFNTVBOMHBU-VBKZILBWSA-N 1 1 410.499 4.017 20 5 HIBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498271613 907808936 /nfs/dbraw/zinc/80/89/36/907808936.db2.gz WFEXKVVSBBLVTO-YQQQUEKLSA-N 1 1 416.481 4.068 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498690026 908119477 /nfs/dbraw/zinc/11/94/77/908119477.db2.gz PQLFVEAPHCGJOS-UGKGYDQZSA-N 1 1 424.545 4.425 20 5 HIBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498718083 908143190 /nfs/dbraw/zinc/14/31/90/908143190.db2.gz BKOXNVXWJZPLDK-AWEZNQCLSA-N 1 1 403.866 4.207 20 5 HIBDMO COc1cc(C[NH2+][C@@H](c2nccn2C)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512892963 921387753 /nfs/dbraw/zinc/38/77/53/921387753.db2.gz ZAHNLCKXCNCFTD-JOCHJYFZSA-N 1 1 422.485 4.157 20 5 HIBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)sc2C1 ZINC000499116100 908474009 /nfs/dbraw/zinc/47/40/09/908474009.db2.gz LXRIINDTSBITFA-UHFFFAOYSA-N 1 1 414.409 4.089 20 5 HIBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)sc2C1 ZINC000499116100 908474022 /nfs/dbraw/zinc/47/40/22/908474022.db2.gz LXRIINDTSBITFA-UHFFFAOYSA-N 1 1 414.409 4.089 20 5 HIBDMO CCn1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 ZINC000513012722 921476111 /nfs/dbraw/zinc/47/61/11/921476111.db2.gz SEKCKJAXHWWHST-UHFFFAOYSA-N 1 1 405.252 4.124 20 5 HIBDMO O=C(CC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000500093942 909573291 /nfs/dbraw/zinc/57/32/91/909573291.db2.gz SVZASERJNUFCTL-GOSISDBHSA-N 1 1 405.907 4.367 20 5 HIBDMO O=C(CC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000500093942 909573302 /nfs/dbraw/zinc/57/33/02/909573302.db2.gz SVZASERJNUFCTL-GOSISDBHSA-N 1 1 405.907 4.367 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(I)c(Cl)c2)c(F)c1 ZINC000500443518 909862320 /nfs/dbraw/zinc/86/23/20/909862320.db2.gz YZDYVVQLEUGVPD-UHFFFAOYSA-N 1 1 420.609 4.282 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000513091267 921541069 /nfs/dbraw/zinc/54/10/69/921541069.db2.gz ZBDCMSMTBTYXHX-GOSISDBHSA-N 1 1 419.481 4.497 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1 ZINC000501732786 910794071 /nfs/dbraw/zinc/79/40/71/910794071.db2.gz QPFYNMSZNYRLNC-QGZVFWFLSA-N 1 1 423.448 4.089 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1 ZINC000501732786 910794084 /nfs/dbraw/zinc/79/40/84/910794084.db2.gz QPFYNMSZNYRLNC-QGZVFWFLSA-N 1 1 423.448 4.089 20 5 HIBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329052 911307840 /nfs/dbraw/zinc/30/78/40/911307840.db2.gz DBFGPZHRAHTOBE-CRAIPNDOSA-N 1 1 411.506 4.387 20 5 HIBDMO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506460782 915059178 /nfs/dbraw/zinc/05/91/78/915059178.db2.gz QQGIDNRATKEDQN-UHFFFAOYSA-N 1 1 411.502 4.469 20 5 HIBDMO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506460782 915059197 /nfs/dbraw/zinc/05/91/97/915059197.db2.gz QQGIDNRATKEDQN-UHFFFAOYSA-N 1 1 411.502 4.469 20 5 HIBDMO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000506477154 915080604 /nfs/dbraw/zinc/08/06/04/915080604.db2.gz MJQHBIIYATZFIH-NRFANRHFSA-N 1 1 408.527 4.425 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000506653747 915325399 /nfs/dbraw/zinc/32/53/99/915325399.db2.gz LTRFYFYVJCHKTP-UHFFFAOYSA-N 1 1 402.401 4.452 20 5 HIBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000507097177 915867653 /nfs/dbraw/zinc/86/76/53/915867653.db2.gz DLVFRFHANYAZJL-HNNXBMFYSA-N 1 1 417.893 4.246 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000507629332 916388045 /nfs/dbraw/zinc/38/80/45/916388045.db2.gz JDOOEBHPXMGHND-UHFFFAOYSA-N 1 1 418.457 4.100 20 5 HIBDMO CCCCOc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000507947688 916810734 /nfs/dbraw/zinc/81/07/34/916810734.db2.gz FMPWLDCTGWHRGN-OAHLLOKOSA-N 1 1 416.474 4.500 20 5 HIBDMO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000508021961 916857592 /nfs/dbraw/zinc/85/75/92/916857592.db2.gz QJJFUGIOFUXHDX-UHFFFAOYSA-N 1 1 405.454 4.203 20 5 HIBDMO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000508021961 916857598 /nfs/dbraw/zinc/85/75/98/916857598.db2.gz QJJFUGIOFUXHDX-UHFFFAOYSA-N 1 1 405.454 4.203 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)cc1 ZINC000508020551 916857663 /nfs/dbraw/zinc/85/76/63/916857663.db2.gz HQMUMVMFPAPCCN-KRWDZBQOSA-N 1 1 400.385 4.270 20 5 HIBDMO COc1cc(CNCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000508101567 916919212 /nfs/dbraw/zinc/91/92/12/916919212.db2.gz JPKZPNUPDXSNNM-SFHVURJKSA-N 1 1 413.518 4.004 20 5 HIBDMO COc1cc(C[NH2+]CCN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000508101567 916919219 /nfs/dbraw/zinc/91/92/19/916919219.db2.gz JPKZPNUPDXSNNM-SFHVURJKSA-N 1 1 413.518 4.004 20 5 HIBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508589098 917361040 /nfs/dbraw/zinc/36/10/40/917361040.db2.gz PIBBMBLZGUXFCX-HXUWFJFHSA-N 1 1 421.419 4.008 20 5 HIBDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])cc3OC(F)F)CC2)oc1C ZINC000509068240 917814086 /nfs/dbraw/zinc/81/40/86/917814086.db2.gz TUHQDGWQDCTAEJ-UHFFFAOYSA-N 1 1 410.421 4.125 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509421016 918081059 /nfs/dbraw/zinc/08/10/59/918081059.db2.gz OWZAPWHZCYUEHS-UHFFFAOYSA-N 1 1 413.861 4.336 20 5 HIBDMO O=C1CCCN1C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000509617214 918265836 /nfs/dbraw/zinc/26/58/36/918265836.db2.gz JLYBQBSOYCGFRF-KRWDZBQOSA-N 1 1 407.392 4.067 20 5 HIBDMO C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510800372 919272948 /nfs/dbraw/zinc/27/29/48/919272948.db2.gz QEAYRMDUZUYWRU-ZBFHGGJFSA-N 1 1 414.531 4.101 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000510818095 919293804 /nfs/dbraw/zinc/29/38/04/919293804.db2.gz SSTXWOCMKQXBQT-HXUWFJFHSA-N 1 1 410.499 4.214 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000510818095 919293824 /nfs/dbraw/zinc/29/38/24/919293824.db2.gz SSTXWOCMKQXBQT-HXUWFJFHSA-N 1 1 410.499 4.214 20 5 HIBDMO COc1cc(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000510891156 919388901 /nfs/dbraw/zinc/38/89/01/919388901.db2.gz BSFJYGJSCVJCMF-CALCHBBNSA-N 1 1 411.502 4.011 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000511058890 919655664 /nfs/dbraw/zinc/65/56/64/919655664.db2.gz IRAOMIDWEHZNSV-CQSZACIVSA-N 1 1 420.307 4.167 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000511058890 919655677 /nfs/dbraw/zinc/65/56/77/919655677.db2.gz IRAOMIDWEHZNSV-CQSZACIVSA-N 1 1 420.307 4.167 20 5 HIBDMO Cc1nc(-c2cccc(NC(=O)C[N@H+](C)CCc3ccccc3[N+](=O)[O-])c2)cs1 ZINC000511071292 919673019 /nfs/dbraw/zinc/67/30/19/919673019.db2.gz CBYGCZPREIDYKB-UHFFFAOYSA-N 1 1 410.499 4.140 20 5 HIBDMO Cc1nc(-c2cccc(NC(=O)C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])c2)cs1 ZINC000511071292 919673030 /nfs/dbraw/zinc/67/30/30/919673030.db2.gz CBYGCZPREIDYKB-UHFFFAOYSA-N 1 1 410.499 4.140 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000511073472 919675555 /nfs/dbraw/zinc/67/55/55/919675555.db2.gz KOUUTXLTEKLSKT-UHFFFAOYSA-N 1 1 406.364 4.338 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000511073472 919675564 /nfs/dbraw/zinc/67/55/64/919675564.db2.gz KOUUTXLTEKLSKT-UHFFFAOYSA-N 1 1 406.364 4.338 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000511090602 919695244 /nfs/dbraw/zinc/69/52/44/919695244.db2.gz NEKOJZYNJFAVEO-UHFFFAOYSA-N 1 1 403.482 4.299 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000511090602 919695257 /nfs/dbraw/zinc/69/52/57/919695257.db2.gz NEKOJZYNJFAVEO-UHFFFAOYSA-N 1 1 403.482 4.299 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000511494868 920105575 /nfs/dbraw/zinc/10/55/75/920105575.db2.gz AZEDXVKLHBSGDG-UHFFFAOYSA-N 1 1 421.419 4.270 20 5 HIBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511640286 920304661 /nfs/dbraw/zinc/30/46/61/920304661.db2.gz LULWXTCAXHODHJ-FQEVSTJZSA-N 1 1 400.475 4.183 20 5 HIBDMO COc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000511655497 920321690 /nfs/dbraw/zinc/32/16/90/920321690.db2.gz JTACBXYGDWSUQF-UHFFFAOYSA-N 1 1 420.428 4.324 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000511766500 920451776 /nfs/dbraw/zinc/45/17/76/920451776.db2.gz CJQGJTXTOPRFTI-HXUWFJFHSA-N 1 1 413.543 4.104 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000511784883 920477290 /nfs/dbraw/zinc/47/72/90/920477290.db2.gz MHVJYPWYQVHTRU-HXUWFJFHSA-N 1 1 413.543 4.104 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000516203692 923597791 /nfs/dbraw/zinc/59/77/91/923597791.db2.gz TYHABRYFVLDCIQ-GOSISDBHSA-N 1 1 413.478 4.110 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000516203692 923597803 /nfs/dbraw/zinc/59/78/03/923597803.db2.gz TYHABRYFVLDCIQ-GOSISDBHSA-N 1 1 413.478 4.110 20 5 HIBDMO C[C@H](c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)[NH+]1CCOCC1 ZINC000517688757 926793756 /nfs/dbraw/zinc/79/37/56/926793756.db2.gz BAMSTLAHXGRLHH-CQSZACIVSA-N 1 1 411.483 4.455 20 5 HIBDMO CCCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000518943938 927647486 /nfs/dbraw/zinc/64/74/86/927647486.db2.gz JXEVFNCYTARMAG-UHFFFAOYSA-N 1 1 401.511 4.023 20 5 HIBDMO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000520318466 928481041 /nfs/dbraw/zinc/48/10/41/928481041.db2.gz QLADGTWKGNIBSI-KRWDZBQOSA-N 1 1 415.877 4.349 20 5 HIBDMO CC[N@@H+]1CCCC[C@@H]1CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000520390081 928543181 /nfs/dbraw/zinc/54/31/81/928543181.db2.gz IBIHPGSKYZRZJM-OAQYLSRUSA-N 1 1 413.518 4.146 20 5 HIBDMO CC[N@H+]1CCCC[C@@H]1CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000520390081 928543188 /nfs/dbraw/zinc/54/31/88/928543188.db2.gz IBIHPGSKYZRZJM-OAQYLSRUSA-N 1 1 413.518 4.146 20 5 HIBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000521331122 929146356 /nfs/dbraw/zinc/14/63/56/929146356.db2.gz YFUGQDBEYGPWFK-MRXNPFEDSA-N 1 1 423.941 4.130 20 5 HIBDMO CC(C)[N@@H+](C)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000521821424 929479326 /nfs/dbraw/zinc/47/93/26/929479326.db2.gz QXQUPJCQWXLFPX-UHFFFAOYSA-N 1 1 410.312 4.437 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)o2)c1 ZINC000521828178 929482383 /nfs/dbraw/zinc/48/23/83/929482383.db2.gz IDEUEGDCCSXKMB-UHFFFAOYSA-N 1 1 420.874 4.072 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000524865286 929863844 /nfs/dbraw/zinc/86/38/44/929863844.db2.gz OEEGZMATYUWPRL-MSOLQXFVSA-N 1 1 413.543 4.198 20 5 HIBDMO C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@H+]1C ZINC000525195140 930082932 /nfs/dbraw/zinc/08/29/32/930082932.db2.gz XSHOQUNHGZOBKB-QWHCGFSZSA-N 1 1 408.296 4.190 20 5 HIBDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCN1C ZINC000525195140 930082941 /nfs/dbraw/zinc/08/29/41/930082941.db2.gz XSHOQUNHGZOBKB-QWHCGFSZSA-N 1 1 408.296 4.190 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000525551270 930320062 /nfs/dbraw/zinc/32/00/62/930320062.db2.gz HMBURRSNEHXWHI-YWZLYKJASA-N 1 1 414.531 4.044 20 5 HIBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810992 931205707 /nfs/dbraw/zinc/20/57/07/931205707.db2.gz FNDZOVLMMRDKKV-SGTLLEGYSA-N 1 1 420.307 4.190 20 5 HIBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810992 931205719 /nfs/dbraw/zinc/20/57/19/931205719.db2.gz FNDZOVLMMRDKKV-SGTLLEGYSA-N 1 1 420.307 4.190 20 5 HIBDMO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000532215070 931356315 /nfs/dbraw/zinc/35/63/15/931356315.db2.gz KLHOSWSQMOIRMJ-QZTJIDSGSA-N 1 1 416.591 4.248 20 5 HIBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000532215443 931356942 /nfs/dbraw/zinc/35/69/42/931356942.db2.gz OQWCDBPGUOJQHN-SJORKVTESA-N 1 1 400.498 4.288 20 5 HIBDMO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000533046191 931751295 /nfs/dbraw/zinc/75/12/95/931751295.db2.gz HERKOMKSQKUJSM-QGZVFWFLSA-N 1 1 407.392 4.440 20 5 HIBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000533046191 931751299 /nfs/dbraw/zinc/75/12/99/931751299.db2.gz HERKOMKSQKUJSM-QGZVFWFLSA-N 1 1 407.392 4.440 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000533246437 931818268 /nfs/dbraw/zinc/81/82/68/931818268.db2.gz OVERGFBKSHVZDJ-UHFFFAOYSA-N 1 1 422.485 4.211 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484320 931881343 /nfs/dbraw/zinc/88/13/43/931881343.db2.gz HBPIGMGQFQRBPJ-NQIIRXRSSA-N 1 1 424.545 4.217 20 5 HIBDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000534167465 932312596 /nfs/dbraw/zinc/31/25/96/932312596.db2.gz RYCVLBCZQMOFNU-AWEZNQCLSA-N 1 1 405.882 4.006 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)o2)c1 ZINC000534357126 932391328 /nfs/dbraw/zinc/39/13/28/932391328.db2.gz MJRGQPBLWZAIFS-NRFANRHFSA-N 1 1 407.470 4.065 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@H+]1Cc1ccccc1 ZINC000534995798 932881176 /nfs/dbraw/zinc/88/11/76/932881176.db2.gz DGQOJPKQCKSIJD-AEFFLSMTSA-N 1 1 406.486 4.107 20 5 HIBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000535212932 933018889 /nfs/dbraw/zinc/01/88/89/933018889.db2.gz XJVOOEWNGAIPHH-GOSISDBHSA-N 1 1 421.501 4.055 20 5 HIBDMO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000535432249 933131760 /nfs/dbraw/zinc/13/17/60/933131760.db2.gz OBYPSRFXBVZWTG-XMSQKQJNSA-N 1 1 410.518 4.004 20 5 HIBDMO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000535432248 933131960 /nfs/dbraw/zinc/13/19/60/933131960.db2.gz OBYPSRFXBVZWTG-PGRDOPGGSA-N 1 1 410.518 4.004 20 5 HIBDMO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000535555906 933240504 /nfs/dbraw/zinc/24/05/04/933240504.db2.gz MFMYKMGINPQIBV-UHFFFAOYSA-N 1 1 424.432 4.240 20 5 HIBDMO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537423767 933770775 /nfs/dbraw/zinc/77/07/75/933770775.db2.gz SZCOYYCKSSJPHT-CQSZACIVSA-N 1 1 406.471 4.150 20 5 HIBDMO Cc1c(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000562508888 945095357 /nfs/dbraw/zinc/09/53/57/945095357.db2.gz YQJJAZJKMACRDI-UHFFFAOYSA-N 1 1 416.485 4.121 20 5 HIBDMO Cc1c(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000562508888 945095371 /nfs/dbraw/zinc/09/53/71/945095371.db2.gz YQJJAZJKMACRDI-UHFFFAOYSA-N 1 1 416.485 4.121 20 5 HIBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618778 938335381 /nfs/dbraw/zinc/33/53/81/938335381.db2.gz KQIDHCUAWDDSHS-DYESRHJHSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618778 938335383 /nfs/dbraw/zinc/33/53/83/938335383.db2.gz KQIDHCUAWDDSHS-DYESRHJHSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618778 938335386 /nfs/dbraw/zinc/33/53/86/938335386.db2.gz KQIDHCUAWDDSHS-DYESRHJHSA-N 1 1 413.518 4.097 20 5 HIBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000538166652 938532954 /nfs/dbraw/zinc/53/29/54/938532954.db2.gz CCGRWSWLGABFOI-AWEZNQCLSA-N 1 1 409.417 4.476 20 5 HIBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538716930 938689177 /nfs/dbraw/zinc/68/91/77/938689177.db2.gz NZWIDNNCGFKLFV-FXAWDEMLSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000538725099 938692787 /nfs/dbraw/zinc/69/27/87/938692787.db2.gz VKMSQPHDDCIHSB-QGZVFWFLSA-N 1 1 408.502 4.315 20 5 HIBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538726468 938693207 /nfs/dbraw/zinc/69/32/07/938693207.db2.gz UDJOTCIMDSLKQF-HTAPYJJXSA-N 1 1 406.486 4.183 20 5 HIBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 ZINC000538728368 938693777 /nfs/dbraw/zinc/69/37/77/938693777.db2.gz PGIMHGKIKYPBNI-UHFFFAOYSA-N 1 1 411.465 4.401 20 5 HIBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 ZINC000538728368 938693781 /nfs/dbraw/zinc/69/37/81/938693781.db2.gz PGIMHGKIKYPBNI-UHFFFAOYSA-N 1 1 411.465 4.401 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000538766294 938705477 /nfs/dbraw/zinc/70/54/77/938705477.db2.gz JUCCNRRDQXZEIL-YLJYHZDGSA-N 1 1 401.894 4.349 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000538766294 938705478 /nfs/dbraw/zinc/70/54/78/938705478.db2.gz JUCCNRRDQXZEIL-YLJYHZDGSA-N 1 1 401.894 4.349 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538791582 938712660 /nfs/dbraw/zinc/71/26/60/938712660.db2.gz FDYLUPSISYEXDO-CTNGQTDRSA-N 1 1 412.486 4.183 20 5 HIBDMO COc1ccccc1[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000539059540 938787234 /nfs/dbraw/zinc/78/72/34/938787234.db2.gz PPDPCESDFUUYAW-OYHNWAKOSA-N 1 1 409.442 4.293 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1)CC(C)C ZINC000539137213 938809394 /nfs/dbraw/zinc/80/93/94/938809394.db2.gz HGCDILWOGPWYMW-UHFFFAOYSA-N 1 1 414.550 4.225 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539262916 938829486 /nfs/dbraw/zinc/82/94/86/938829486.db2.gz OMEUOOYDLPYIFH-LSDHHAIUSA-N 1 1 404.430 4.242 20 5 HIBDMO C[N@@H+](CCc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1)C1CC1 ZINC000539334783 938843632 /nfs/dbraw/zinc/84/36/32/938843632.db2.gz KJBIOGGHHFXCTJ-UHFFFAOYSA-N 1 1 422.529 4.087 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000539360512 938848408 /nfs/dbraw/zinc/84/84/08/938848408.db2.gz HPKBFXOBOKYFJA-NRFANRHFSA-N 1 1 423.444 4.255 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000539360513 938848565 /nfs/dbraw/zinc/84/85/65/938848565.db2.gz HPKBFXOBOKYFJA-OAQYLSRUSA-N 1 1 423.444 4.255 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000539383437 938852315 /nfs/dbraw/zinc/85/23/15/938852315.db2.gz NHUQUTYNXDFEPH-SFHVURJKSA-N 1 1 417.893 4.214 20 5 HIBDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([S@](C)=O)cc1 ZINC000539529888 938874060 /nfs/dbraw/zinc/87/40/60/938874060.db2.gz FIERJQICHSXNTR-QWVSSGJLSA-N 1 1 401.513 4.307 20 5 HIBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Oc1cccnc1 ZINC000539838631 938953712 /nfs/dbraw/zinc/95/37/12/938953712.db2.gz URSSPAOEHIPQOR-SFHVURJKSA-N 1 1 405.458 4.172 20 5 HIBDMO CCOc1ccc(C(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000540236801 939158242 /nfs/dbraw/zinc/15/82/42/939158242.db2.gz GSIJAMGHWIFLSI-UHFFFAOYSA-N 1 1 405.539 4.214 20 5 HIBDMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000540344164 939201301 /nfs/dbraw/zinc/20/13/01/939201301.db2.gz DYDPBICCYXECGU-QGZVFWFLSA-N 1 1 422.485 4.380 20 5 HIBDMO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000540344164 939201306 /nfs/dbraw/zinc/20/13/06/939201306.db2.gz DYDPBICCYXECGU-QGZVFWFLSA-N 1 1 422.485 4.380 20 5 HIBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000540480065 939269289 /nfs/dbraw/zinc/26/92/89/939269289.db2.gz GEBQXMHWFPLSES-DNVCBOLYSA-N 1 1 422.441 4.118 20 5 HIBDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541166569 939483915 /nfs/dbraw/zinc/48/39/15/939483915.db2.gz JHNFRTRFDWBZSM-NVXWUHKLSA-N 1 1 408.861 4.059 20 5 HIBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541166569 939483916 /nfs/dbraw/zinc/48/39/16/939483916.db2.gz JHNFRTRFDWBZSM-NVXWUHKLSA-N 1 1 408.861 4.059 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000541424057 939512446 /nfs/dbraw/zinc/51/24/46/939512446.db2.gz XNPAKJUTYNDZSC-UHFFFAOYSA-N 1 1 421.950 4.497 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000541577051 939559110 /nfs/dbraw/zinc/55/91/10/939559110.db2.gz CNJVZDNNUSQKAG-UHFFFAOYSA-N 1 1 403.442 4.375 20 5 HIBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000542198542 939753610 /nfs/dbraw/zinc/75/36/10/939753610.db2.gz ZAWUIOZWQWVIHJ-INIZCTEOSA-N 1 1 423.922 4.277 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542633918 939850606 /nfs/dbraw/zinc/85/06/06/939850606.db2.gz ULLXFAPYZDLZNO-WIYYLYMNSA-N 1 1 415.465 4.223 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000542714986 939856197 /nfs/dbraw/zinc/85/61/97/939856197.db2.gz GJFAQXOJNRQSEG-QFIPXVFZSA-N 1 1 412.465 4.254 20 5 HIBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000542863303 939864030 /nfs/dbraw/zinc/86/40/30/939864030.db2.gz KPXQSPMQUOQHQS-KRWDZBQOSA-N 1 1 409.408 4.182 20 5 HIBDMO C[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543455836 940068264 /nfs/dbraw/zinc/06/82/64/940068264.db2.gz FCVQTORWWGUURV-JENIJYKNSA-N 1 1 413.493 4.254 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000543630090 940142172 /nfs/dbraw/zinc/14/21/72/940142172.db2.gz HLXYNVQRZULQKA-IBGZPJMESA-N 1 1 421.419 4.375 20 5 HIBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000544123095 940332060 /nfs/dbraw/zinc/33/20/60/940332060.db2.gz GKAUIBAZAAFQKU-JTQLQIEISA-N 1 1 421.277 4.165 20 5 HIBDMO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544551470 940477484 /nfs/dbraw/zinc/47/74/84/940477484.db2.gz ASGOQSCKELDABM-NXXSPTCGSA-N 1 1 405.857 4.052 20 5 HIBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544551470 940477485 /nfs/dbraw/zinc/47/74/85/940477485.db2.gz ASGOQSCKELDABM-NXXSPTCGSA-N 1 1 405.857 4.052 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000545119979 940544624 /nfs/dbraw/zinc/54/46/24/940544624.db2.gz WFTCRQDQKWKXNN-AWEZNQCLSA-N 1 1 410.449 4.383 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000545828721 940618930 /nfs/dbraw/zinc/61/89/30/940618930.db2.gz CQOGNZKXYABNIX-AUUYWEPGSA-N 1 1 419.522 4.272 20 5 HIBDMO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000547084899 940989237 /nfs/dbraw/zinc/98/92/37/940989237.db2.gz HKURZSKRCVPZBT-SFHVURJKSA-N 1 1 407.474 4.012 20 5 HIBDMO C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000549173449 941168313 /nfs/dbraw/zinc/16/83/13/941168313.db2.gz XBMUVXLWJIQRBG-HSZRJFAPSA-N 1 1 423.538 4.427 20 5 HIBDMO Cn1ccnc1[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068042 941578504 /nfs/dbraw/zinc/57/85/04/941578504.db2.gz GLHCUOGRIVDVRT-ISKFKSNPSA-N 1 1 419.529 4.062 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCc4[nH]c5ccc(F)cc5c4C3)o2)c1 ZINC000552203125 941601893 /nfs/dbraw/zinc/60/18/93/941601893.db2.gz ADUCPYZBWSCVAD-UHFFFAOYSA-N 1 1 406.417 4.471 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCc4[nH]c5ccc(F)cc5c4C3)o2)c1 ZINC000552203125 941601894 /nfs/dbraw/zinc/60/18/94/941601894.db2.gz ADUCPYZBWSCVAD-UHFFFAOYSA-N 1 1 406.417 4.471 20 5 HIBDMO C[C@@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000552920430 941803122 /nfs/dbraw/zinc/80/31/22/941803122.db2.gz UTAQBHBPKVFLOE-MRXNPFEDSA-N 1 1 402.454 4.295 20 5 HIBDMO O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000553259528 941857696 /nfs/dbraw/zinc/85/76/96/941857696.db2.gz UAOVBVDGWXDAMG-UHFFFAOYSA-N 1 1 420.494 4.283 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553459701 941888868 /nfs/dbraw/zinc/88/88/68/941888868.db2.gz KGGXBHHZPWTGHX-JOCHJYFZSA-N 1 1 413.905 4.295 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553807365 941974055 /nfs/dbraw/zinc/97/40/55/941974055.db2.gz LJWNDUPBVOAQIX-IBGZPJMESA-N 1 1 424.545 4.211 20 5 HIBDMO COc1ccc(-c2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1OC ZINC000554847331 942285493 /nfs/dbraw/zinc/28/54/93/942285493.db2.gz APGIEEARVHKXSC-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO COc1ccc(-c2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1OC ZINC000554847331 942285502 /nfs/dbraw/zinc/28/55/02/942285502.db2.gz APGIEEARVHKXSC-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000555313009 942472946 /nfs/dbraw/zinc/47/29/46/942472946.db2.gz YVKXODOMBJYTCH-CYFREDJKSA-N 1 1 407.514 4.213 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556891102 942954199 /nfs/dbraw/zinc/95/41/99/942954199.db2.gz AKDIWXFUVADWLQ-SESVDKBCSA-N 1 1 410.449 4.067 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3C3CC3)o2)c(Br)c1 ZINC000556895061 942955316 /nfs/dbraw/zinc/95/53/16/942955316.db2.gz IHCFBBZPZLTVBR-KRWDZBQOSA-N 1 1 407.264 4.228 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3C3CC3)o2)c(Br)c1 ZINC000556895061 942955322 /nfs/dbraw/zinc/95/53/22/942955322.db2.gz IHCFBBZPZLTVBR-KRWDZBQOSA-N 1 1 407.264 4.228 20 5 HIBDMO C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558489380 943573660 /nfs/dbraw/zinc/57/36/60/943573660.db2.gz ZDXUHRKOJNAAOC-FOIQADDNSA-N 1 1 420.469 4.390 20 5 HIBDMO C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558489383 943573841 /nfs/dbraw/zinc/57/38/41/943573841.db2.gz ZDXUHRKOJNAAOC-QRWLVFNGSA-N 1 1 420.469 4.390 20 5 HIBDMO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000558562118 943599394 /nfs/dbraw/zinc/59/93/94/943599394.db2.gz HRMPZICLMVAUDS-HKUYNNGSSA-N 1 1 413.493 4.256 20 5 HIBDMO CCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000560553886 944251944 /nfs/dbraw/zinc/25/19/44/944251944.db2.gz NQBLRODCKCWFTN-MORSLUCNSA-N 1 1 414.449 4.230 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000564392677 945551130 /nfs/dbraw/zinc/55/11/30/945551130.db2.gz DMAJIZDQCRMTRL-NSHDSACASA-N 1 1 410.243 4.094 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000564422464 945574169 /nfs/dbraw/zinc/57/41/69/945574169.db2.gz AUKDMWFCFOIJRO-PMACEKPBSA-N 1 1 408.502 4.197 20 5 HIBDMO O=[N+]([O-])c1ccccc1Cc1noc([C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000564611379 945704905 /nfs/dbraw/zinc/70/49/05/945704905.db2.gz YUTSPHYIGPBNAC-QGZVFWFLSA-N 1 1 414.412 4.193 20 5 HIBDMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 ZINC000565331205 945812586 /nfs/dbraw/zinc/81/25/86/945812586.db2.gz GPNAWSHAMQBXPE-CYBMUJFWSA-N 1 1 413.865 4.260 20 5 HIBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000568800599 946700680 /nfs/dbraw/zinc/70/06/80/946700680.db2.gz OFHILJMKWGVCGI-QHCPKHFHSA-N 1 1 414.502 4.167 20 5 HIBDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000571901582 947808954 /nfs/dbraw/zinc/80/89/54/947808954.db2.gz IJIBRAGZSPXURS-ZDUSSCGKSA-N 1 1 406.280 4.031 20 5 HIBDMO Cc1ccc(-c2nc(CC[NH2+][C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000572066059 947837913 /nfs/dbraw/zinc/83/79/13/947837913.db2.gz YSCDZNKJIQFHSO-NRFANRHFSA-N 1 1 417.469 4.213 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000574544750 948467924 /nfs/dbraw/zinc/46/79/24/948467924.db2.gz BACVGUIJHJELHM-UGKGYDQZSA-N 1 1 424.545 4.079 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]21 ZINC001165027448 721809676 /nfs/dbraw/zinc/80/96/76/721809676.db2.gz UTEAEBVKYFBFAA-MTNREXPMSA-N 1 1 417.513 4.275 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436124877 861410949 /nfs/dbraw/zinc/41/09/49/861410949.db2.gz AUDBGJZZLBDRSS-YLJYHZDGSA-N 1 1 411.505 4.247 20 5 HIBDMO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])ccc2c1 ZINC000015029626 846002048 /nfs/dbraw/zinc/00/20/48/846002048.db2.gz ZKPXFYUDLPRANA-OAHLLOKOSA-N 1 1 423.469 4.224 20 5 HIBDMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])ccc2c1 ZINC000015029626 846002054 /nfs/dbraw/zinc/00/20/54/846002054.db2.gz ZKPXFYUDLPRANA-OAHLLOKOSA-N 1 1 423.469 4.224 20 5 HIBDMO C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349431 847131566 /nfs/dbraw/zinc/13/15/66/847131566.db2.gz FOTUJWPXNFSLAH-QFIPXVFZSA-N 1 1 409.511 4.384 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000027535677 847316466 /nfs/dbraw/zinc/31/64/66/847316466.db2.gz VNLZDCWBDMGFPJ-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000027535677 847316471 /nfs/dbraw/zinc/31/64/71/847316471.db2.gz VNLZDCWBDMGFPJ-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO CSc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1[N+](=O)[O-] ZINC000029634075 847592451 /nfs/dbraw/zinc/59/24/51/847592451.db2.gz ASJAVEFSDLQHQW-UHFFFAOYSA-N 1 1 406.533 4.402 20 5 HIBDMO CC[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000029909769 847648264 /nfs/dbraw/zinc/64/82/64/847648264.db2.gz NAXHKGRLIPXNMR-APWZRJJASA-N 1 1 413.543 4.029 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000042145871 848292849 /nfs/dbraw/zinc/29/28/49/848292849.db2.gz TWKYONDORCUVJG-KDOFPFPSSA-N 1 1 413.474 4.313 20 5 HIBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000044820675 848607608 /nfs/dbraw/zinc/60/76/08/848607608.db2.gz BQMVWLUNSBGDFN-UHFFFAOYSA-N 1 1 407.495 4.204 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000055855478 850181409 /nfs/dbraw/zinc/18/14/09/850181409.db2.gz MZOFYAVFSDGXGI-JOCHJYFZSA-N 1 1 409.417 4.060 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000058948755 850965571 /nfs/dbraw/zinc/96/55/71/850965571.db2.gz ZFOQMWJUVVISNM-INIZCTEOSA-N 1 1 413.543 4.479 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000059387280 851003062 /nfs/dbraw/zinc/00/30/62/851003062.db2.gz LBBOIXPMQYDDCO-QGZVFWFLSA-N 1 1 410.392 4.018 20 5 HIBDMO COc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000059888549 851022002 /nfs/dbraw/zinc/02/20/02/851022002.db2.gz OTPOAGQZIRGWJW-UHFFFAOYSA-N 1 1 411.502 4.298 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)C1 ZINC000071931705 852435469 /nfs/dbraw/zinc/43/54/69/852435469.db2.gz ULXCSYUQHLOGIM-QGZVFWFLSA-N 1 1 419.485 4.265 20 5 HIBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032466 852474505 /nfs/dbraw/zinc/47/45/05/852474505.db2.gz IOIXGUQQEGATMY-KXBFYZLASA-N 1 1 400.866 4.396 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C[C@H](C)O1 ZINC000111193814 853219641 /nfs/dbraw/zinc/21/96/41/853219641.db2.gz YQZZIAXGUHNXQB-GASCZTMLSA-N 1 1 412.515 4.426 20 5 HIBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000115756646 853264131 /nfs/dbraw/zinc/26/41/31/853264131.db2.gz YMIQVIXKHPEPSB-UHFFFAOYSA-N 1 1 414.849 4.366 20 5 HIBDMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000215792202 853837756 /nfs/dbraw/zinc/83/77/56/853837756.db2.gz DLDOPUBCKVJGDQ-UHFFFAOYSA-N 1 1 422.510 4.066 20 5 HIBDMO C[N@H+](CCc1ccccn1)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000216077306 853843145 /nfs/dbraw/zinc/84/31/45/853843145.db2.gz CDECYMVLIAXUSM-OAQYLSRUSA-N 1 1 424.888 4.498 20 5 HIBDMO C[N@@H+](CCc1ccccn1)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000216077306 853843148 /nfs/dbraw/zinc/84/31/48/853843148.db2.gz CDECYMVLIAXUSM-OAQYLSRUSA-N 1 1 424.888 4.498 20 5 HIBDMO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000236832125 853928101 /nfs/dbraw/zinc/92/81/01/853928101.db2.gz NNFNYWDUSCAGSB-UHFFFAOYSA-N 1 1 424.526 4.490 20 5 HIBDMO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236888775 853933120 /nfs/dbraw/zinc/93/31/20/853933120.db2.gz FWKRTXSUKIGWBF-NEPJUHHUSA-N 1 1 424.295 4.010 20 5 HIBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000236984503 853947524 /nfs/dbraw/zinc/94/75/24/853947524.db2.gz NGESWLUIWPVPAX-KRWDZBQOSA-N 1 1 400.498 4.035 20 5 HIBDMO CCN(CC)C(=O)C1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000237003919 853950439 /nfs/dbraw/zinc/95/04/39/853950439.db2.gz YRBSPDBTUFRUNH-UHFFFAOYSA-N 1 1 416.547 4.379 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]CC(=O)Nc3c(C)cccc3C)o2)c([N+](=O)[O-])c1 ZINC000237424904 854030951 /nfs/dbraw/zinc/03/09/51/854030951.db2.gz RKNQLIKLXYFTEO-UHFFFAOYSA-N 1 1 409.442 4.209 20 5 HIBDMO C[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1Cc1ccccc1 ZINC000237495711 854045367 /nfs/dbraw/zinc/04/53/67/854045367.db2.gz TXZMYTNWWQTPTO-APWZRJJASA-N 1 1 408.527 4.471 20 5 HIBDMO C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000237495711 854045368 /nfs/dbraw/zinc/04/53/68/854045368.db2.gz TXZMYTNWWQTPTO-APWZRJJASA-N 1 1 408.527 4.471 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000238011324 854133889 /nfs/dbraw/zinc/13/38/89/854133889.db2.gz KLGSLBHQQAOZBP-GOSISDBHSA-N 1 1 417.513 4.021 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000238011324 854133894 /nfs/dbraw/zinc/13/38/94/854133894.db2.gz KLGSLBHQQAOZBP-GOSISDBHSA-N 1 1 417.513 4.021 20 5 HIBDMO Cc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000301294383 854350396 /nfs/dbraw/zinc/35/03/96/854350396.db2.gz QVEAQZGRULPKGA-YOEHRIQHSA-N 1 1 411.428 4.151 20 5 HIBDMO Cc1ccnc(N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC000301304107 854352420 /nfs/dbraw/zinc/35/24/20/854352420.db2.gz SWRZQHLARLSCCB-UHFFFAOYSA-N 1 1 408.424 4.418 20 5 HIBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000301507204 854409588 /nfs/dbraw/zinc/40/95/88/854409588.db2.gz AAYVFUFCZKJLOS-WIYYLYMNSA-N 1 1 422.529 4.296 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000301551006 854419087 /nfs/dbraw/zinc/41/90/87/854419087.db2.gz GWKATICPVYWHQG-LLVKDONJSA-N 1 1 402.252 4.420 20 5 HIBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(Br)c1 ZINC000301558028 854420039 /nfs/dbraw/zinc/42/00/39/854420039.db2.gz SUQAUIFZZYOOJG-LBPRGKRZSA-N 1 1 411.325 4.138 20 5 HIBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301697906 854447380 /nfs/dbraw/zinc/44/73/80/854447380.db2.gz CVEXEYHTUCICMJ-LLVKDONJSA-N 1 1 402.804 4.460 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1 ZINC000301749139 854458890 /nfs/dbraw/zinc/45/88/90/854458890.db2.gz SVWDARLOXCVWJF-INIZCTEOSA-N 1 1 419.485 4.498 20 5 HIBDMO CN1CC[NH+](C[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000301813029 854469159 /nfs/dbraw/zinc/46/91/59/854469159.db2.gz FMGGQFHYUAZSNQ-SFHVURJKSA-N 1 1 408.424 4.014 20 5 HIBDMO C[N@@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301856411 854477489 /nfs/dbraw/zinc/47/74/89/854477489.db2.gz RKSONMWRNZVUQG-MGPUTAFESA-N 1 1 418.856 4.129 20 5 HIBDMO C[N@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301856411 854477494 /nfs/dbraw/zinc/47/74/94/854477494.db2.gz RKSONMWRNZVUQG-MGPUTAFESA-N 1 1 418.856 4.129 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000302890940 854668437 /nfs/dbraw/zinc/66/84/37/854668437.db2.gz FHEHFXDSJNFKAM-UHFFFAOYSA-N 1 1 422.407 4.353 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000303428040 854929044 /nfs/dbraw/zinc/92/90/44/854929044.db2.gz BFRVCRUWAGCZQH-CQSZACIVSA-N 1 1 410.449 4.422 20 5 HIBDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000303671049 855122074 /nfs/dbraw/zinc/12/20/74/855122074.db2.gz YRAYQGXBBXZNRY-LJQANCHMSA-N 1 1 413.474 4.086 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000303688275 855134080 /nfs/dbraw/zinc/13/40/80/855134080.db2.gz LYDXYXKSVHDZAG-AWEZNQCLSA-N 1 1 412.421 4.388 20 5 HIBDMO C[C@H]1C[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000303747775 855170207 /nfs/dbraw/zinc/17/02/07/855170207.db2.gz KOCBSNDTVZFVPN-FXAWDEMLSA-N 1 1 421.501 4.130 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410358499 855948453 /nfs/dbraw/zinc/94/84/53/855948453.db2.gz JAZCFHYEAGTSKQ-INIZCTEOSA-N 1 1 412.490 4.157 20 5 HIBDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426511716 856327855 /nfs/dbraw/zinc/32/78/55/856327855.db2.gz UGAWRWSLRXFPKN-HXUWFJFHSA-N 1 1 414.893 4.468 20 5 HIBDMO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437496954 862853689 /nfs/dbraw/zinc/85/36/89/862853689.db2.gz YXFYMEAGBVAICE-LJQANCHMSA-N 1 1 411.477 4.137 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CCCC[C@H]1O ZINC000428471945 857212329 /nfs/dbraw/zinc/21/23/29/857212329.db2.gz ZSNRRGFTWRRPHO-IAGOWNOFSA-N 1 1 409.280 4.353 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000428884701 857388796 /nfs/dbraw/zinc/38/87/96/857388796.db2.gz HWZOKOPGCIVUNT-IRXDYDNUSA-N 1 1 412.490 4.179 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000428919160 857414351 /nfs/dbraw/zinc/41/43/51/857414351.db2.gz DSNKZUNKYVJFBB-LVCYWYKZSA-N 1 1 410.518 4.317 20 5 HIBDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000429227083 857563979 /nfs/dbraw/zinc/56/39/79/857563979.db2.gz CRVJWRIFFZSMFA-MRXNPFEDSA-N 1 1 410.449 4.142 20 5 HIBDMO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430823557 858318192 /nfs/dbraw/zinc/31/81/92/858318192.db2.gz ODIMGCHELQXKAE-DYESRHJHSA-N 1 1 421.501 4.130 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000431071761 858434475 /nfs/dbraw/zinc/43/44/75/858434475.db2.gz BUXRNXOULCYAIF-ZBFHGGJFSA-N 1 1 402.882 4.423 20 5 HIBDMO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CCCO1 ZINC000467554088 881376579 /nfs/dbraw/zinc/37/65/79/881376579.db2.gz NVYXZWFGBCEKPW-FQEVSTJZSA-N 1 1 400.475 4.183 20 5 HIBDMO C[C@@H]1C[N@@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000432361998 859121664 /nfs/dbraw/zinc/12/16/64/859121664.db2.gz GPOHXLPYSZJSRK-OAHLLOKOSA-N 1 1 407.898 4.099 20 5 HIBDMO C[C@@H]1CN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000432361998 859121670 /nfs/dbraw/zinc/12/16/70/859121670.db2.gz GPOHXLPYSZJSRK-OAHLLOKOSA-N 1 1 407.898 4.099 20 5 HIBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000434305140 860267732 /nfs/dbraw/zinc/26/77/32/860267732.db2.gz BJZFYSUKCSVIES-HXUWFJFHSA-N 1 1 419.485 4.107 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCN(c2cnccn2)CC1 ZINC000435055662 860617640 /nfs/dbraw/zinc/61/76/40/860617640.db2.gz CSBJBZFLBKMDJH-UHFFFAOYSA-N 1 1 409.515 4.214 20 5 HIBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000435326458 860737107 /nfs/dbraw/zinc/73/71/07/860737107.db2.gz DAFRZTKHTGJLBR-BXUZGUMPSA-N 1 1 413.316 4.002 20 5 HIBDMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435813091 861078795 /nfs/dbraw/zinc/07/87/95/861078795.db2.gz DCHKXCZMAZRZGR-NRFANRHFSA-N 1 1 417.534 4.310 20 5 HIBDMO CC[C@@](C)(O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000439254800 864672412 /nfs/dbraw/zinc/67/24/12/864672412.db2.gz DWKPUPGQNLDVBG-HSZRJFAPSA-N 1 1 409.486 4.456 20 5 HIBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817282 865134394 /nfs/dbraw/zinc/13/43/94/865134394.db2.gz AWYXEQCLVFGZNZ-CVEARBPZSA-N 1 1 400.454 4.329 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000439911734 865219943 /nfs/dbraw/zinc/21/99/43/865219943.db2.gz JHWOEGSTZWAQDJ-HNNXBMFYSA-N 1 1 418.519 4.089 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(c4ccc(Cl)cc4)CCOCC3)o2)cc1 ZINC000440317108 865587360 /nfs/dbraw/zinc/58/73/60/865587360.db2.gz UUUGYEVZBBRKHP-UHFFFAOYSA-N 1 1 414.849 4.094 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000440431330 865732346 /nfs/dbraw/zinc/73/23/46/865732346.db2.gz WMHJECKLYAVVTD-KRWDZBQOSA-N 1 1 411.483 4.372 20 5 HIBDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499995 865797082 /nfs/dbraw/zinc/79/70/82/865797082.db2.gz OCFAYAGCWXXZRH-ULQDDVLXSA-N 1 1 411.506 4.017 20 5 HIBDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499995 865797102 /nfs/dbraw/zinc/79/71/02/865797102.db2.gz OCFAYAGCWXXZRH-ULQDDVLXSA-N 1 1 411.506 4.017 20 5 HIBDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499992 865797369 /nfs/dbraw/zinc/79/73/69/865797369.db2.gz OCFAYAGCWXXZRH-GVDBMIGSSA-N 1 1 411.506 4.017 20 5 HIBDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499992 865797382 /nfs/dbraw/zinc/79/73/82/865797382.db2.gz OCFAYAGCWXXZRH-GVDBMIGSSA-N 1 1 411.506 4.017 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295489 866370667 /nfs/dbraw/zinc/37/06/67/866370667.db2.gz KQKJDMRWQXMKIQ-JTAQYXEDSA-N 1 1 423.513 4.332 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]Cc3ccncc3OCC(F)F)o2)c([N+](=O)[O-])c1 ZINC000441371693 866439827 /nfs/dbraw/zinc/43/98/27/866439827.db2.gz VEJOZYKPTIENKW-UHFFFAOYSA-N 1 1 419.384 4.192 20 5 HIBDMO Cc1ccc(NCCCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000442686452 867620221 /nfs/dbraw/zinc/62/02/21/867620221.db2.gz YXCSBBUPESCEJL-UHFFFAOYSA-N 1 1 422.510 4.681 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073743 867811860 /nfs/dbraw/zinc/81/18/60/867811860.db2.gz WRPQCPSOYGPNCS-UZLBHIALSA-N 1 1 400.475 4.182 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650955 868246516 /nfs/dbraw/zinc/24/65/16/868246516.db2.gz QMYIGGRULCCCKK-KGLIPLIRSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650955 868246536 /nfs/dbraw/zinc/24/65/36/868246536.db2.gz QMYIGGRULCCCKK-KGLIPLIRSA-N 1 1 412.421 4.082 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443946466 868482022 /nfs/dbraw/zinc/48/20/22/868482022.db2.gz MKPCUJWFXNVZKE-IBGZPJMESA-N 1 1 411.506 4.125 20 5 HIBDMO C[C@H](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@@H+](C)Cc1ccccc1 ZINC000444108947 868622585 /nfs/dbraw/zinc/62/25/85/868622585.db2.gz KTBWQNOTRRZRRM-GOSISDBHSA-N 1 1 413.521 4.322 20 5 HIBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444236805 868685830 /nfs/dbraw/zinc/68/58/30/868685830.db2.gz HNQKEQTWICXPQO-UHFFFAOYSA-N 1 1 413.521 4.322 20 5 HIBDMO C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000444301612 868732410 /nfs/dbraw/zinc/73/24/10/868732410.db2.gz FZIDNVWEPYITGA-HOTGVXAUSA-N 1 1 421.516 4.203 20 5 HIBDMO C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000444301613 868733150 /nfs/dbraw/zinc/73/31/50/868733150.db2.gz FZIDNVWEPYITGA-HZPDHXFCSA-N 1 1 421.516 4.203 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000444674544 868951714 /nfs/dbraw/zinc/95/17/14/868951714.db2.gz KFRRAEAKKLCPLZ-SNVBAGLBSA-N 1 1 423.807 4.282 20 5 HIBDMO COc1ccc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3OC(C)C)CCOCC2)cc1F ZINC000444812561 869024825 /nfs/dbraw/zinc/02/48/25/869024825.db2.gz LGCCKQSNWQMTLO-UHFFFAOYSA-N 1 1 418.465 4.325 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000444895224 869083077 /nfs/dbraw/zinc/08/30/77/869083077.db2.gz KAVZBRBWXHHHFS-AEFFLSMTSA-N 1 1 412.490 4.120 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000444903311 869091469 /nfs/dbraw/zinc/09/14/69/869091469.db2.gz XSEKTGKAYOHQLA-NQIIRXRSSA-N 1 1 424.501 4.122 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[N@H+]1Cc1ccccc1 ZINC000444990850 869148288 /nfs/dbraw/zinc/14/82/88/869148288.db2.gz JQJBOVLBLYISRC-HKUYNNGSSA-N 1 1 411.505 4.074 20 5 HIBDMO Cc1ccc([C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[NH+]2CCCC2)o1 ZINC000445192485 869268704 /nfs/dbraw/zinc/26/87/04/869268704.db2.gz RVCPAYMMICCVGG-NRFANRHFSA-N 1 1 415.493 4.150 20 5 HIBDMO Cc1nc(COc2ccc(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)cs1 ZINC000446841247 870759802 /nfs/dbraw/zinc/75/98/02/870759802.db2.gz NKCTWKPTQIRPPI-UHFFFAOYSA-N 1 1 409.471 4.105 20 5 HIBDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546335 871414726 /nfs/dbraw/zinc/41/47/26/871414726.db2.gz VARWLOBRARKCPK-YADHBBJMSA-N 1 1 423.517 4.290 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000447670201 871599404 /nfs/dbraw/zinc/59/94/04/871599404.db2.gz ITKHZDZEKUQIEI-AAEUAGOBSA-N 1 1 420.382 4.097 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448312988 872247042 /nfs/dbraw/zinc/24/70/42/872247042.db2.gz YMRJFUOYOMJXCA-HNNXBMFYSA-N 1 1 421.419 4.350 20 5 HIBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448450636 872396115 /nfs/dbraw/zinc/39/61/15/872396115.db2.gz VKUCVRAISDJMCE-VGSWGCGISA-N 1 1 421.497 4.476 20 5 HIBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000461265697 874275204 /nfs/dbraw/zinc/27/52/04/874275204.db2.gz SGCFABRFVWHSIJ-FQEVSTJZSA-N 1 1 410.518 4.153 20 5 HIBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000468692790 882816649 /nfs/dbraw/zinc/81/66/49/882816649.db2.gz GBADELXMWKXQFD-FQEVSTJZSA-N 1 1 414.502 4.431 20 5 HIBDMO COc1c(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c(C)nn1C ZINC000461414151 874431271 /nfs/dbraw/zinc/43/12/71/874431271.db2.gz ABRNOEBXWKAGRV-UHFFFAOYSA-N 1 1 416.865 4.381 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438636 874490588 /nfs/dbraw/zinc/49/05/88/874490588.db2.gz YZBPPYCKGFFJDA-DNVJHFABSA-N 1 1 421.541 4.144 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461438639 874490874 /nfs/dbraw/zinc/49/08/74/874490874.db2.gz YZBPPYCKGFFJDA-ZLNRFVROSA-N 1 1 421.541 4.144 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000462501739 875616876 /nfs/dbraw/zinc/61/68/76/875616876.db2.gz MZNXYIYBTMZEDB-HKUYNNGSSA-N 1 1 411.502 4.195 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000462863023 875895242 /nfs/dbraw/zinc/89/52/42/875895242.db2.gz XYHJFSFIPHQHEE-AWEZNQCLSA-N 1 1 412.820 4.490 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000462879278 875907406 /nfs/dbraw/zinc/90/74/06/875907406.db2.gz XDUDHEBPVVBVFN-UHFFFAOYSA-N 1 1 420.469 4.317 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000462998588 876012795 /nfs/dbraw/zinc/01/27/95/876012795.db2.gz WBTVYUVXMCTSHS-QHCPKHFHSA-N 1 1 423.557 4.331 20 5 HIBDMO Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000463084386 876116375 /nfs/dbraw/zinc/11/63/75/876116375.db2.gz ABYNGGLRFAMGIB-GOSISDBHSA-N 1 1 408.506 4.005 20 5 HIBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000463190276 876248203 /nfs/dbraw/zinc/24/82/03/876248203.db2.gz MCTQDGOZPVDBPJ-UHFFFAOYSA-N 1 1 413.440 4.342 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463441111 876499296 /nfs/dbraw/zinc/49/92/96/876499296.db2.gz HXPFRIKWYZJFHJ-HXOBKFHXSA-N 1 1 422.485 4.023 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000464484244 877703506 /nfs/dbraw/zinc/70/35/06/877703506.db2.gz BMAFHFVXFNGEOI-HNNXBMFYSA-N 1 1 417.485 4.288 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000464484244 877703519 /nfs/dbraw/zinc/70/35/19/877703519.db2.gz BMAFHFVXFNGEOI-HNNXBMFYSA-N 1 1 417.485 4.288 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738692 877973591 /nfs/dbraw/zinc/97/35/91/877973591.db2.gz SZJNSCXXFKFKCG-LSDHHAIUSA-N 1 1 401.429 4.169 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464845244 878117674 /nfs/dbraw/zinc/11/76/74/878117674.db2.gz LWNHUXKSEGFCSK-ROUUACIJSA-N 1 1 421.501 4.302 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000465190090 878583868 /nfs/dbraw/zinc/58/38/68/878583868.db2.gz GSVLVMUTNYKBAU-OAHLLOKOSA-N 1 1 417.893 4.150 20 5 HIBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000465634915 879148662 /nfs/dbraw/zinc/14/86/62/879148662.db2.gz NPCRYNKJUJTTIU-QOKNQOGYSA-N 1 1 402.520 4.100 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)co2)cc1 ZINC000503430436 912428102 /nfs/dbraw/zinc/42/81/02/912428102.db2.gz CSRVLBBPZIATKF-QGZVFWFLSA-N 1 1 407.474 4.162 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1F ZINC000466206665 879897839 /nfs/dbraw/zinc/89/78/39/879897839.db2.gz WUXIRRGZIPNCAX-LBPRGKRZSA-N 1 1 403.385 4.402 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466285654 880028843 /nfs/dbraw/zinc/02/88/43/880028843.db2.gz GUKIFYVIJQWEQN-QGZVFWFLSA-N 1 1 405.857 4.172 20 5 HIBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466285654 880028858 /nfs/dbraw/zinc/02/88/58/880028858.db2.gz GUKIFYVIJQWEQN-QGZVFWFLSA-N 1 1 405.857 4.172 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000503495227 912542645 /nfs/dbraw/zinc/54/26/45/912542645.db2.gz UKHUVIJMOLZOOM-KRWDZBQOSA-N 1 1 401.850 4.383 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1 ZINC000467018155 880821187 /nfs/dbraw/zinc/82/11/87/880821187.db2.gz FEQBLXMTNAIIFN-UHFFFAOYSA-N 1 1 424.320 4.393 20 5 HIBDMO COC[C@H]1CCCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320742 881068300 /nfs/dbraw/zinc/06/83/00/881068300.db2.gz DMKJMJWEVUJPAR-PGRDOPGGSA-N 1 1 411.502 4.332 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000467451359 881255586 /nfs/dbraw/zinc/25/55/86/881255586.db2.gz UDTYZXFKWOWNHQ-QAPCUYQASA-N 1 1 416.909 4.101 20 5 HIBDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469355473 883478000 /nfs/dbraw/zinc/47/80/00/883478000.db2.gz ZAJQFPGWXXJTSC-NEPJUHHUSA-N 1 1 422.279 4.044 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000469993664 884207752 /nfs/dbraw/zinc/20/77/52/884207752.db2.gz UCSNXZFRMXICGU-UHFFFAOYSA-N 1 1 411.380 4.262 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000470000423 884217489 /nfs/dbraw/zinc/21/74/89/884217489.db2.gz RQLORGKUWMAYQG-CYBMUJFWSA-N 1 1 411.380 4.261 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000470000423 884217494 /nfs/dbraw/zinc/21/74/94/884217494.db2.gz RQLORGKUWMAYQG-CYBMUJFWSA-N 1 1 411.380 4.261 20 5 HIBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000470122464 884384416 /nfs/dbraw/zinc/38/44/16/884384416.db2.gz MJZPCAUTUDYUFF-LAUBAEHRSA-N 1 1 412.465 4.252 20 5 HIBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154207 884426024 /nfs/dbraw/zinc/42/60/24/884426024.db2.gz ZNGWBGUQRLUGEI-MDOVXXIYSA-N 1 1 415.877 4.126 20 5 HIBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154207 884426033 /nfs/dbraw/zinc/42/60/33/884426033.db2.gz ZNGWBGUQRLUGEI-MDOVXXIYSA-N 1 1 415.877 4.126 20 5 HIBDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470181167 884468414 /nfs/dbraw/zinc/46/84/14/884468414.db2.gz ZEOXCDXESIPSID-NYXAKURHSA-N 1 1 409.486 4.418 20 5 HIBDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470181167 884468440 /nfs/dbraw/zinc/46/84/40/884468440.db2.gz ZEOXCDXESIPSID-NYXAKURHSA-N 1 1 409.486 4.418 20 5 HIBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000470217852 884546408 /nfs/dbraw/zinc/54/64/08/884546408.db2.gz BBWWAJUAHABJGT-FQEVSTJZSA-N 1 1 422.529 4.011 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000470397045 884803066 /nfs/dbraw/zinc/80/30/66/884803066.db2.gz INTGAOSHLIBNMU-UHFFFAOYSA-N 1 1 409.364 4.001 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000470979575 885481120 /nfs/dbraw/zinc/48/11/20/885481120.db2.gz LOJPGVILMOBLKS-HKUYNNGSSA-N 1 1 411.502 4.119 20 5 HIBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169036 885725263 /nfs/dbraw/zinc/72/52/63/885725263.db2.gz MNIVAOPLQSGNKW-OAQYLSRUSA-N 1 1 406.486 4.393 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)o2)c([N+](=O)[O-])c1 ZINC000473115474 887912722 /nfs/dbraw/zinc/91/27/22/887912722.db2.gz BJQQGMZDBWNGCM-HSZRJFAPSA-N 1 1 406.438 4.495 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000473269200 888027654 /nfs/dbraw/zinc/02/76/54/888027654.db2.gz AGIUBSOZUCRRLR-HROJSSOGSA-N 1 1 424.545 4.060 20 5 HIBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473499691 888224564 /nfs/dbraw/zinc/22/45/64/888224564.db2.gz ZFAZFNHFFDBVGO-QFIPXVFZSA-N 1 1 413.905 4.377 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCOC(F)(F)F)c1ccccc1 ZINC000473779315 888582630 /nfs/dbraw/zinc/58/26/30/888582630.db2.gz DBSIKJPLGMMLDF-HNNXBMFYSA-N 1 1 417.771 4.054 20 5 HIBDMO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291164 890193632 /nfs/dbraw/zinc/19/36/32/890193632.db2.gz LVSKKOGGBRXMTI-QMHKHESXSA-N 1 1 412.486 4.182 20 5 HIBDMO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291164 890193670 /nfs/dbraw/zinc/19/36/70/890193670.db2.gz LVSKKOGGBRXMTI-QMHKHESXSA-N 1 1 412.486 4.182 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475550114 890475571 /nfs/dbraw/zinc/47/55/71/890475571.db2.gz GOIUWXYPVKGSNT-IBGZPJMESA-N 1 1 411.506 4.125 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC000475644753 890586890 /nfs/dbraw/zinc/58/68/90/890586890.db2.gz YAESRBHOMIFHNU-HNNXBMFYSA-N 1 1 419.197 4.199 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](C)C2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] ZINC000475715793 890653290 /nfs/dbraw/zinc/65/32/90/890653290.db2.gz NUWKCWXKIHJYMG-UHFFFAOYSA-N 1 1 418.449 4.348 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477071183 892004594 /nfs/dbraw/zinc/00/45/94/892004594.db2.gz VGKDAGJBVHDFDB-UHFFFAOYSA-N 1 1 421.453 4.250 20 5 HIBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478026052 893152494 /nfs/dbraw/zinc/15/24/94/893152494.db2.gz GHPWQUYIPIGMBO-NSHDSACASA-N 1 1 412.273 4.369 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl ZINC000478052394 893204175 /nfs/dbraw/zinc/20/41/75/893204175.db2.gz FXORFJSNUYKOIO-UHFFFAOYSA-N 1 1 412.671 4.325 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000478300823 893518976 /nfs/dbraw/zinc/51/89/76/893518976.db2.gz UXCXZHQTNACJFN-CQSZACIVSA-N 1 1 418.444 4.298 20 5 HIBDMO CCOc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000478401437 893684031 /nfs/dbraw/zinc/68/40/31/893684031.db2.gz QMMBAJQLPGGKPY-KRWDZBQOSA-N 1 1 411.502 4.155 20 5 HIBDMO Cc1c(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000478772080 894046702 /nfs/dbraw/zinc/04/67/02/894046702.db2.gz WGCJIBIMMCYJSG-QGZVFWFLSA-N 1 1 410.518 4.135 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000479620770 894890122 /nfs/dbraw/zinc/89/01/22/894890122.db2.gz PIKHEXVLGQKROE-QHCPKHFHSA-N 1 1 408.502 4.342 20 5 HIBDMO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)c2)cc1 ZINC000479917461 895264552 /nfs/dbraw/zinc/26/45/52/895264552.db2.gz BDPHOLZCORFURA-UHFFFAOYSA-N 1 1 407.445 4.262 20 5 HIBDMO Cc1c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480073992 895426680 /nfs/dbraw/zinc/42/66/80/895426680.db2.gz XXIAAPNRFBBGRQ-JTHBVZDNSA-N 1 1 422.529 4.099 20 5 HIBDMO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000480461746 895846413 /nfs/dbraw/zinc/84/64/13/895846413.db2.gz AJRXPYGULJEKRG-NRFANRHFSA-N 1 1 405.454 4.054 20 5 HIBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000480484934 895861692 /nfs/dbraw/zinc/86/16/92/895861692.db2.gz RJCYLDZAYWEARV-UHFFFAOYSA-N 1 1 402.252 4.013 20 5 HIBDMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000480533239 895895694 /nfs/dbraw/zinc/89/56/94/895895694.db2.gz ARQFPLNJGWZFIN-PXNSSMCTSA-N 1 1 416.591 4.246 20 5 HIBDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481209487 896561751 /nfs/dbraw/zinc/56/17/51/896561751.db2.gz ZBUJAXDWMKJBJY-FIKGOQFSSA-N 1 1 421.501 4.206 20 5 HIBDMO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481377629 896774201 /nfs/dbraw/zinc/77/42/01/896774201.db2.gz KPSHBLCCKKMXIF-SGTLLEGYSA-N 1 1 402.838 4.164 20 5 HIBDMO Cn1c2ccccc2nc1[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000481417139 896820469 /nfs/dbraw/zinc/82/04/69/896820469.db2.gz ISVWILXMVZRGBR-JOCHJYFZSA-N 1 1 402.454 4.240 20 5 HIBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481850220 897218253 /nfs/dbraw/zinc/21/82/53/897218253.db2.gz VEJVJNSRMUENRA-XLIONFOSSA-N 1 1 413.905 4.375 20 5 HIBDMO C[C@H](c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)[NH+]1CCOCC1 ZINC000482927368 898548003 /nfs/dbraw/zinc/54/80/03/898548003.db2.gz BBTGMXMEHIBHGB-QGZVFWFLSA-N 1 1 424.501 4.185 20 5 HIBDMO CCOc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000483231861 898875662 /nfs/dbraw/zinc/87/56/62/898875662.db2.gz JLCSBJHLMHHZLV-HNNXBMFYSA-N 1 1 418.799 4.489 20 5 HIBDMO C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483244283 898886629 /nfs/dbraw/zinc/88/66/29/898886629.db2.gz ZXTQPHRIAUXCEE-DLBZAZTESA-N 1 1 415.559 4.475 20 5 HIBDMO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483244283 898886633 /nfs/dbraw/zinc/88/66/33/898886633.db2.gz ZXTQPHRIAUXCEE-DLBZAZTESA-N 1 1 415.559 4.475 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483400214 899033381 /nfs/dbraw/zinc/03/33/81/899033381.db2.gz CZCRUGSFGNXGJU-CYBMUJFWSA-N 1 1 409.408 4.166 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000483420254 899049737 /nfs/dbraw/zinc/04/97/37/899049737.db2.gz QWLWAYQBIRBZSG-HSZRJFAPSA-N 1 1 424.501 4.123 20 5 HIBDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483739978 899401544 /nfs/dbraw/zinc/40/15/44/899401544.db2.gz HARRISMHTYQQKD-HNNXBMFYSA-N 1 1 422.451 4.216 20 5 HIBDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483739980 899401796 /nfs/dbraw/zinc/40/17/96/899401796.db2.gz HARRISMHTYQQKD-OAHLLOKOSA-N 1 1 422.451 4.216 20 5 HIBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000505654882 914353033 /nfs/dbraw/zinc/35/30/33/914353033.db2.gz CTWFXLVABHLQOO-UHFFFAOYSA-N 1 1 419.485 4.189 20 5 HIBDMO COc1ccccc1-c1nc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)no1 ZINC000484327360 899882107 /nfs/dbraw/zinc/88/21/07/899882107.db2.gz VYXILOUFBYECGM-UHFFFAOYSA-N 1 1 412.421 4.172 20 5 HIBDMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000484791052 900197681 /nfs/dbraw/zinc/19/76/81/900197681.db2.gz MOBKTVGKVVBBPO-HXUWFJFHSA-N 1 1 407.495 4.186 20 5 HIBDMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000484791052 900197685 /nfs/dbraw/zinc/19/76/85/900197685.db2.gz MOBKTVGKVVBBPO-HXUWFJFHSA-N 1 1 407.495 4.186 20 5 HIBDMO Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)nc(C)[nH+]1 ZINC000485417828 900715421 /nfs/dbraw/zinc/71/54/21/900715421.db2.gz NWWKMJTZZSNABC-UHFFFAOYSA-N 1 1 422.464 4.284 20 5 HIBDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978120 901195095 /nfs/dbraw/zinc/19/50/95/901195095.db2.gz VOCDUOFXMULUFX-PXAZEXFGSA-N 1 1 407.392 4.296 20 5 HIBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486450961 901610288 /nfs/dbraw/zinc/61/02/88/901610288.db2.gz LRWKAVPNEYYLBY-WFLBIRGASA-N 1 1 417.469 4.107 20 5 HIBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486888595 901934378 /nfs/dbraw/zinc/93/43/78/901934378.db2.gz SHCJUJPOKBXGDF-GOEBONIOSA-N 1 1 402.882 4.280 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc(C(F)(F)F)c1 ZINC000487199046 902097714 /nfs/dbraw/zinc/09/77/14/902097714.db2.gz LOBDSVUBTMYODX-UHFFFAOYSA-N 1 1 408.355 4.287 20 5 HIBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)CC2)n1 ZINC000488747160 902978006 /nfs/dbraw/zinc/97/80/06/902978006.db2.gz IJNIQWSQUASKRT-UHFFFAOYSA-N 1 1 403.895 4.405 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000489574016 903473007 /nfs/dbraw/zinc/47/30/07/903473007.db2.gz RMAFVSOLBZFWPW-RIFZZMRRSA-N 1 1 416.547 4.408 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489752083 903579185 /nfs/dbraw/zinc/57/91/85/903579185.db2.gz MYXNFKGOSBCZBJ-OEWRPIJISA-N 1 1 424.545 4.286 20 5 HIBDMO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)(C)C ZINC000489965661 903701478 /nfs/dbraw/zinc/70/14/78/903701478.db2.gz MRBRXPKBBDLYSL-UHFFFAOYSA-N 1 1 418.490 4.430 20 5 HIBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490014870 903724741 /nfs/dbraw/zinc/72/47/41/903724741.db2.gz RFARZFZFUUPOGM-CABCVRRESA-N 1 1 401.429 4.087 20 5 HIBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490151290 903794598 /nfs/dbraw/zinc/79/45/98/903794598.db2.gz HJLINVVHVJNCAD-NRFANRHFSA-N 1 1 421.501 4.439 20 5 HIBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000490372572 903964034 /nfs/dbraw/zinc/96/40/34/903964034.db2.gz VUNGMACKHRFJBZ-QGZVFWFLSA-N 1 1 413.543 4.454 20 5 HIBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380483 903972031 /nfs/dbraw/zinc/97/20/31/903972031.db2.gz YPBUPMUHSCMOFR-ROUUACIJSA-N 1 1 414.449 4.027 20 5 HIBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380486 903972256 /nfs/dbraw/zinc/97/22/56/903972256.db2.gz YPBUPMUHSCMOFR-ZWKOTPCHSA-N 1 1 414.449 4.027 20 5 HIBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000490587671 904120468 /nfs/dbraw/zinc/12/04/68/904120468.db2.gz JHGVBOGNOQFPEO-UHFFFAOYSA-N 1 1 401.486 4.022 20 5 HIBDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490817112 904263381 /nfs/dbraw/zinc/26/33/81/904263381.db2.gz GFYOWRGVEUYLHV-UHFFFAOYSA-N 1 1 403.866 4.250 20 5 HIBDMO CC(C)(NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000491004542 904364043 /nfs/dbraw/zinc/36/40/43/904364043.db2.gz STDNETPORVAESG-NRFANRHFSA-N 1 1 424.545 4.430 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000491143766 904453192 /nfs/dbraw/zinc/45/31/92/904453192.db2.gz YTYQWHZSTWQSPN-HNNXBMFYSA-N 1 1 400.385 4.303 20 5 HIBDMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1[N+](=O)[O-] ZINC000506123896 914812454 /nfs/dbraw/zinc/81/24/54/914812454.db2.gz DIZLVPQKYWECBI-HNNXBMFYSA-N 1 1 419.407 4.344 20 5 HIBDMO C[C@@H](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000491334448 904544674 /nfs/dbraw/zinc/54/46/74/904544674.db2.gz UGJPNLJPJXBMEQ-SFHVURJKSA-N 1 1 410.518 4.179 20 5 HIBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000506147096 914824722 /nfs/dbraw/zinc/82/47/22/914824722.db2.gz HFDSPYXPSPGVOC-AWEZNQCLSA-N 1 1 405.380 4.036 20 5 HIBDMO COc1cc(NC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000491842531 904709283 /nfs/dbraw/zinc/70/92/83/904709283.db2.gz DNDMNGCBOJXJGX-UHFFFAOYSA-N 1 1 405.882 4.342 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938070 904960147 /nfs/dbraw/zinc/96/01/47/904960147.db2.gz SSXOTELQVFNWLN-WIYYLYMNSA-N 1 1 410.518 4.270 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000493307835 905082034 /nfs/dbraw/zinc/08/20/34/905082034.db2.gz BESBVFSBQVSTKU-OALUTQOASA-N 1 1 410.518 4.270 20 5 HIBDMO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512386359 921123062 /nfs/dbraw/zinc/12/30/62/921123062.db2.gz FOQBRKWCZDEBGU-DOTOQJQBSA-N 1 1 400.548 4.461 20 5 HIBDMO C[C@H](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000494416101 905706238 /nfs/dbraw/zinc/70/62/38/905706238.db2.gz JFLIGPFRYOXKLS-GOSISDBHSA-N 1 1 410.518 4.179 20 5 HIBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000512455230 921173417 /nfs/dbraw/zinc/17/34/17/921173417.db2.gz BODDZIAQBKEXGZ-INIZCTEOSA-N 1 1 401.532 4.308 20 5 HIBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512458323 921174359 /nfs/dbraw/zinc/17/43/59/921174359.db2.gz ZIIRWJFTMGMBPK-FQEVSTJZSA-N 1 1 424.545 4.347 20 5 HIBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000495202297 906305218 /nfs/dbraw/zinc/30/52/18/906305218.db2.gz QTGVSCKVVPKVEH-JOCHJYFZSA-N 1 1 410.495 4.268 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000495357190 906398346 /nfs/dbraw/zinc/39/83/46/906398346.db2.gz FZOZHCBINQDGGZ-SFHVURJKSA-N 1 1 410.392 4.018 20 5 HIBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cn(-c3ccccc3)nc1-c1ccccc1)CC2 ZINC000495460884 906465452 /nfs/dbraw/zinc/46/54/52/906465452.db2.gz NLPBECNWOOSREL-UHFFFAOYSA-N 1 1 411.465 4.401 20 5 HIBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cn(-c3ccccc3)nc1-c1ccccc1)CC2 ZINC000495460884 906465457 /nfs/dbraw/zinc/46/54/57/906465457.db2.gz NLPBECNWOOSREL-UHFFFAOYSA-N 1 1 411.465 4.401 20 5 HIBDMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000496464970 906688111 /nfs/dbraw/zinc/68/81/11/906688111.db2.gz HUTKIPNFNMFPAZ-UHFFFAOYSA-N 1 1 422.510 4.066 20 5 HIBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497648504 907137792 /nfs/dbraw/zinc/13/77/92/907137792.db2.gz DPXYCTLCKWHDRF-KRWDZBQOSA-N 1 1 408.285 4.469 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1cccs1 ZINC000498151947 907677395 /nfs/dbraw/zinc/67/73/95/907677395.db2.gz GGAIFNTVBOMHBU-VLIAUNLRSA-N 1 1 410.499 4.017 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1Cc1ccccc1 ZINC000498416581 907891751 /nfs/dbraw/zinc/89/17/51/907891751.db2.gz CMNCXDFGCUHLPN-MJGOQNOKSA-N 1 1 418.497 4.174 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000498561100 908021438 /nfs/dbraw/zinc/02/14/38/908021438.db2.gz QHRRPEZOPZWCDP-FPOVZHCZSA-N 1 1 410.474 4.011 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498655506 908094312 /nfs/dbraw/zinc/09/43/12/908094312.db2.gz RVCLLIVULUGGJD-CQSZACIVSA-N 1 1 401.426 4.128 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498690020 908118592 /nfs/dbraw/zinc/11/85/92/908118592.db2.gz PQLFVEAPHCGJOS-DENIHFKCSA-N 1 1 424.545 4.425 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498690023 908119180 /nfs/dbraw/zinc/11/91/80/908119180.db2.gz PQLFVEAPHCGJOS-KNQAVFIVSA-N 1 1 424.545 4.425 20 5 HIBDMO C[NH+](C)Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Cl ZINC000500786899 910079025 /nfs/dbraw/zinc/07/90/25/910079025.db2.gz LYYNPSWGPGCQCL-UHFFFAOYSA-N 1 1 402.882 4.162 20 5 HIBDMO Cc1cccc(C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2cccc(C)n2)n1 ZINC000500992739 910221267 /nfs/dbraw/zinc/22/12/67/910221267.db2.gz PAMVCPBONZJASJ-UHFFFAOYSA-N 1 1 419.485 4.033 20 5 HIBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000501305980 910459693 /nfs/dbraw/zinc/45/96/93/910459693.db2.gz HQLIBSJHJQFEGT-IBGZPJMESA-N 1 1 421.419 4.254 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000502540182 911546913 /nfs/dbraw/zinc/54/69/13/911546913.db2.gz MBEHISBLWFAUAK-KRWDZBQOSA-N 1 1 403.504 4.257 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506470772 915070035 /nfs/dbraw/zinc/07/00/35/915070035.db2.gz NPECMWCJJICGJD-BRWVUGGUSA-N 1 1 422.957 4.162 20 5 HIBDMO COc1ccc([C@H](NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C(C)C)cc1 ZINC000513380586 921753837 /nfs/dbraw/zinc/75/38/37/921753837.db2.gz JLQGURURYWRQCV-HSZRJFAPSA-N 1 1 413.518 4.327 20 5 HIBDMO COc1ccc([C@H](NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C(C)C)cc1 ZINC000513380586 921753844 /nfs/dbraw/zinc/75/38/44/921753844.db2.gz JLQGURURYWRQCV-HSZRJFAPSA-N 1 1 413.518 4.327 20 5 HIBDMO Cn1cc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506664058 915340928 /nfs/dbraw/zinc/34/09/28/915340928.db2.gz VBOOSZLNTONXLP-UHFFFAOYSA-N 1 1 414.469 4.161 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000507231743 915989941 /nfs/dbraw/zinc/98/99/41/915989941.db2.gz KIJWKOKGHDEJKY-UHFFFAOYSA-N 1 1 405.454 4.341 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000507238486 915997824 /nfs/dbraw/zinc/99/78/24/915997824.db2.gz RZDBTCVTWTUDKC-JOCHJYFZSA-N 1 1 419.485 4.186 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000507248065 916009328 /nfs/dbraw/zinc/00/93/28/916009328.db2.gz SEYBYDOQMIRGMK-QWRGUYRKSA-N 1 1 410.243 4.174 20 5 HIBDMO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000507299230 916064703 /nfs/dbraw/zinc/06/47/03/916064703.db2.gz XENSRIJKWDZKSE-UHFFFAOYSA-N 1 1 424.320 4.270 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000507994905 916835310 /nfs/dbraw/zinc/83/53/10/916835310.db2.gz LXQNWBIVSNTEAR-INIZCTEOSA-N 1 1 400.454 4.076 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000507994905 916835315 /nfs/dbraw/zinc/83/53/15/916835315.db2.gz LXQNWBIVSNTEAR-INIZCTEOSA-N 1 1 400.454 4.076 20 5 HIBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508589097 917361340 /nfs/dbraw/zinc/36/13/40/917361340.db2.gz PIBBMBLZGUXFCX-FQEVSTJZSA-N 1 1 421.419 4.008 20 5 HIBDMO Cn1cc(C[NH2+]Cc2ccsc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509432114 918089828 /nfs/dbraw/zinc/08/98/28/918089828.db2.gz XVJHAFRPRZRTGO-UHFFFAOYSA-N 1 1 407.293 4.109 20 5 HIBDMO CCOc1ccc(C2=CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000509461171 918111138 /nfs/dbraw/zinc/11/11/38/918111138.db2.gz DYSMTQXGJQDSAZ-UHFFFAOYSA-N 1 1 409.486 4.420 20 5 HIBDMO COc1cc(CNCC[N@@H+]2CCCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509617698 918266224 /nfs/dbraw/zinc/26/62/24/918266224.db2.gz KCDLGMGNBHNXCI-SFHVURJKSA-N 1 1 413.518 4.146 20 5 HIBDMO COc1cc(CNCC[N@H+]2CCCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509617698 918266233 /nfs/dbraw/zinc/26/62/33/918266233.db2.gz KCDLGMGNBHNXCI-SFHVURJKSA-N 1 1 413.518 4.146 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000510100637 918664427 /nfs/dbraw/zinc/66/44/27/918664427.db2.gz SBDRUOAQMZMXOI-HKUYNNGSSA-N 1 1 413.543 4.104 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000510114811 918676775 /nfs/dbraw/zinc/67/67/75/918676775.db2.gz AEHSJZVASXNYLK-SJLPKXTDSA-N 1 1 415.921 4.208 20 5 HIBDMO CC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC)c(OC)c1 ZINC000510189531 918738569 /nfs/dbraw/zinc/73/85/69/918738569.db2.gz AJPYXJUSBSYXSU-SUMWQHHRSA-N 1 1 412.446 4.464 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510418422 918886159 /nfs/dbraw/zinc/88/61/59/918886159.db2.gz WKJJTIPQXYDZNZ-KDOFPFPSSA-N 1 1 404.430 4.003 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510418422 918886163 /nfs/dbraw/zinc/88/61/63/918886163.db2.gz WKJJTIPQXYDZNZ-KDOFPFPSSA-N 1 1 404.430 4.003 20 5 HIBDMO C[C@H](NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000510511759 918957621 /nfs/dbraw/zinc/95/76/21/918957621.db2.gz XIGHUAYFFXEHBB-IBGZPJMESA-N 1 1 410.518 4.006 20 5 HIBDMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097491 919701122 /nfs/dbraw/zinc/70/11/22/919701122.db2.gz VSSAGXFZFOBUAA-AWEZNQCLSA-N 1 1 405.882 4.067 20 5 HIBDMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097491 919701130 /nfs/dbraw/zinc/70/11/30/919701130.db2.gz VSSAGXFZFOBUAA-AWEZNQCLSA-N 1 1 405.882 4.067 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CCCN(c4nccs4)CC3)o2)c([N+](=O)[O-])c1 ZINC000511759645 920441166 /nfs/dbraw/zinc/44/11/66/920441166.db2.gz FMSOLFZZEBCNLN-UHFFFAOYSA-N 1 1 414.487 4.032 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000511766792 920451457 /nfs/dbraw/zinc/45/14/57/920451457.db2.gz APMFPYKNRWIESC-NRFANRHFSA-N 1 1 407.470 4.372 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000511801104 920495944 /nfs/dbraw/zinc/49/59/44/920495944.db2.gz FQXVUEJZDAGNIO-HXUWFJFHSA-N 1 1 415.921 4.208 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511894139 920629829 /nfs/dbraw/zinc/62/98/29/920629829.db2.gz QUASWZSVDADPNN-XUVXKRRUSA-N 1 1 407.470 4.161 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000512089515 920852974 /nfs/dbraw/zinc/85/29/74/920852974.db2.gz FXLMOWJSFAQDPS-MRXNPFEDSA-N 1 1 406.486 4.381 20 5 HIBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000513473311 921832829 /nfs/dbraw/zinc/83/28/29/921832829.db2.gz VSPKXGFJSHKACP-CYBMUJFWSA-N 1 1 410.417 4.276 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000514160008 922498501 /nfs/dbraw/zinc/49/85/01/922498501.db2.gz JOIXFQGKHTUIAS-KRWDZBQOSA-N 1 1 413.543 4.235 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000516498858 923760596 /nfs/dbraw/zinc/76/05/96/923760596.db2.gz YRYYNRFAPSKJIY-CQSZACIVSA-N 1 1 407.923 4.212 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000516553341 923792634 /nfs/dbraw/zinc/79/26/34/923792634.db2.gz OWIZEGGWQZBJHK-HDICACEKSA-N 1 1 410.518 4.072 20 5 HIBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000518807613 927505158 /nfs/dbraw/zinc/50/51/58/927505158.db2.gz MLEVUODYTLOFMM-QGZVFWFLSA-N 1 1 417.893 4.041 20 5 HIBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000518807613 927505162 /nfs/dbraw/zinc/50/51/62/927505162.db2.gz MLEVUODYTLOFMM-QGZVFWFLSA-N 1 1 417.893 4.041 20 5 HIBDMO CCn1nc(C)c(C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c1C ZINC000520218496 928396096 /nfs/dbraw/zinc/39/60/96/928396096.db2.gz GBXSJXDJUOSMEB-UHFFFAOYSA-N 1 1 424.501 4.305 20 5 HIBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000520226812 928400533 /nfs/dbraw/zinc/40/05/33/928400533.db2.gz RWQAEFVKKGVCMQ-CYBMUJFWSA-N 1 1 405.907 4.176 20 5 HIBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000520226812 928400547 /nfs/dbraw/zinc/40/05/47/928400547.db2.gz RWQAEFVKKGVCMQ-CYBMUJFWSA-N 1 1 405.907 4.176 20 5 HIBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000520312739 928474006 /nfs/dbraw/zinc/47/40/06/928474006.db2.gz PLZHIIRUVVEAMQ-HNNXBMFYSA-N 1 1 420.560 4.115 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000520768607 928807541 /nfs/dbraw/zinc/80/75/41/928807541.db2.gz JSCAFGXEZOPCSC-UHFFFAOYSA-N 1 1 415.493 4.451 20 5 HIBDMO CC[N@H+](CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000521832948 929483963 /nfs/dbraw/zinc/48/39/63/929483963.db2.gz NDQCNVSKQNUJHH-UHFFFAOYSA-N 1 1 405.502 4.021 20 5 HIBDMO CC[N@@H+](CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000521832948 929483979 /nfs/dbraw/zinc/48/39/79/929483979.db2.gz NDQCNVSKQNUJHH-UHFFFAOYSA-N 1 1 405.502 4.021 20 5 HIBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)O1 ZINC000524603382 929712897 /nfs/dbraw/zinc/71/28/97/929712897.db2.gz JTFKOWUBFFPHMB-IRXDYDNUSA-N 1 1 411.502 4.120 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354446 930192925 /nfs/dbraw/zinc/19/29/25/930192925.db2.gz JJUQNHCPMRFSNI-WIYYLYMNSA-N 1 1 410.518 4.052 20 5 HIBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000525638231 930376743 /nfs/dbraw/zinc/37/67/43/930376743.db2.gz YSVHIORDVGUNOO-QZTJIDSGSA-N 1 1 400.479 4.205 20 5 HIBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000525638231 930376751 /nfs/dbraw/zinc/37/67/51/930376751.db2.gz YSVHIORDVGUNOO-QZTJIDSGSA-N 1 1 400.479 4.205 20 5 HIBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000530852609 930840809 /nfs/dbraw/zinc/84/08/09/930840809.db2.gz GXPPRQVZEDBEAQ-XMMPIXPASA-N 1 1 418.497 4.204 20 5 HIBDMO C[NH+](C)[C@]1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCSC1 ZINC000530883291 930848104 /nfs/dbraw/zinc/84/81/04/930848104.db2.gz IFJUBQYRNGIYHP-FQEVSTJZSA-N 1 1 405.495 4.053 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000531758726 931185029 /nfs/dbraw/zinc/18/50/29/931185029.db2.gz FAFMLPQNMUXNLC-NHCUHLMSSA-N 1 1 415.559 4.181 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] ZINC000532690955 931587755 /nfs/dbraw/zinc/58/77/55/931587755.db2.gz LKUPERZWQHTRQC-MRXNPFEDSA-N 1 1 412.421 4.172 20 5 HIBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1C(F)(F)F ZINC000532899593 931684566 /nfs/dbraw/zinc/68/45/66/931684566.db2.gz RYUJWFAJLYRTSE-UHFFFAOYSA-N 1 1 409.364 4.044 20 5 HIBDMO CCOc1ccc([C@H]2CCC[N@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000532902235 931685705 /nfs/dbraw/zinc/68/57/05/931685705.db2.gz WGGQFKAQGRNHPY-LJQANCHMSA-N 1 1 411.458 4.129 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000533078252 931765289 /nfs/dbraw/zinc/76/52/89/931765289.db2.gz LGFSHWJRYLVMKQ-MRXNPFEDSA-N 1 1 407.417 4.281 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000533078252 931765295 /nfs/dbraw/zinc/76/52/95/931765295.db2.gz LGFSHWJRYLVMKQ-MRXNPFEDSA-N 1 1 407.417 4.281 20 5 HIBDMO CN(C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000533147242 931785197 /nfs/dbraw/zinc/78/51/97/931785197.db2.gz FWIPZHSPELAIRP-IBGZPJMESA-N 1 1 407.392 4.012 20 5 HIBDMO C[NH+]1CCN(Cc2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 ZINC000533211995 931810925 /nfs/dbraw/zinc/81/09/25/931810925.db2.gz YQKRFGKMDWJVFU-UHFFFAOYSA-N 1 1 423.542 4.078 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)c1 ZINC000533230531 931814878 /nfs/dbraw/zinc/81/48/78/931814878.db2.gz IMHRANJPHSTARD-IBGZPJMESA-N 1 1 421.453 4.401 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000533354035 931846566 /nfs/dbraw/zinc/84/65/66/931846566.db2.gz FXZQEWYHLAMMJS-UHFFFAOYSA-N 1 1 409.273 4.147 20 5 HIBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000533369212 931850986 /nfs/dbraw/zinc/85/09/86/931850986.db2.gz BUDGLRLDAUUQTF-MRXNPFEDSA-N 1 1 412.421 4.042 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534129285 932294741 /nfs/dbraw/zinc/29/47/41/932294741.db2.gz MWHBRYXQLHRLGJ-SJLPKXTDSA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534129285 932294747 /nfs/dbraw/zinc/29/47/47/932294747.db2.gz MWHBRYXQLHRLGJ-SJLPKXTDSA-N 1 1 405.907 4.145 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c(OC(F)F)ccc4ccccc43)CC2)cn1 ZINC000534336830 932385572 /nfs/dbraw/zinc/38/55/72/932385572.db2.gz HTGMNBLXTKNGLZ-UHFFFAOYSA-N 1 1 414.412 4.067 20 5 HIBDMO Cc1c(CC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962369 932862453 /nfs/dbraw/zinc/86/24/53/932862453.db2.gz CTYJOCOAZCGKKT-IIBYNOLFSA-N 1 1 419.884 4.047 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000535522855 933213759 /nfs/dbraw/zinc/21/37/59/933213759.db2.gz BPQIUIJDOGDUSN-LJQANCHMSA-N 1 1 407.426 4.358 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000535522855 933213766 /nfs/dbraw/zinc/21/37/66/933213766.db2.gz BPQIUIJDOGDUSN-LJQANCHMSA-N 1 1 407.426 4.358 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(OCCc4ccccc4)CC3)co2)cc1 ZINC000535571405 933246331 /nfs/dbraw/zinc/24/63/31/933246331.db2.gz ZMILPYAPDYPGSL-UHFFFAOYSA-N 1 1 407.470 4.474 20 5 HIBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)nc2c1 ZINC000535665737 933310541 /nfs/dbraw/zinc/31/05/41/933310541.db2.gz LVFVZLFLBFOGNG-QGZVFWFLSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000535665737 933310557 /nfs/dbraw/zinc/31/05/57/933310557.db2.gz LVFVZLFLBFOGNG-QGZVFWFLSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000535665737 933310562 /nfs/dbraw/zinc/31/05/62/933310562.db2.gz LVFVZLFLBFOGNG-QGZVFWFLSA-N 1 1 421.501 4.296 20 5 HIBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682028 933334779 /nfs/dbraw/zinc/33/47/79/933334779.db2.gz UPUVLKLUDCSWSP-KUHUBIRLSA-N 1 1 405.857 4.119 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799061 933395493 /nfs/dbraw/zinc/39/54/93/933395493.db2.gz AKTCJCPOCCBKPP-QUCCMNQESA-N 1 1 412.486 4.183 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000536122859 933672641 /nfs/dbraw/zinc/67/26/41/933672641.db2.gz FAHDMPATGFSDJI-INIZCTEOSA-N 1 1 406.486 4.489 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cn(-c3ccccc3)nc1-c1cccnc1)CC2 ZINC000537629393 938340383 /nfs/dbraw/zinc/34/03/83/938340383.db2.gz XCYFGEAGKIXCQP-UHFFFAOYSA-N 1 1 411.465 4.401 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cn(-c3ccccc3)nc1-c1cccnc1)CC2 ZINC000537629393 938340389 /nfs/dbraw/zinc/34/03/89/938340389.db2.gz XCYFGEAGKIXCQP-UHFFFAOYSA-N 1 1 411.465 4.401 20 5 HIBDMO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000537634700 938341812 /nfs/dbraw/zinc/34/18/12/938341812.db2.gz QZPJUBSNQAQXDS-HNNXBMFYSA-N 1 1 420.897 4.127 20 5 HIBDMO CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000537634700 938341814 /nfs/dbraw/zinc/34/18/14/938341814.db2.gz QZPJUBSNQAQXDS-HNNXBMFYSA-N 1 1 420.897 4.127 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)o2)c(Br)c1 ZINC000537647439 938345219 /nfs/dbraw/zinc/34/52/19/938345219.db2.gz QJCRFJCVTYNCQL-KBPBESRZSA-N 1 1 421.291 4.476 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000537937964 938423161 /nfs/dbraw/zinc/42/31/61/938423161.db2.gz HCBORWFYJMECHY-JHVJFLLYSA-N 1 1 403.910 4.279 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538187953 938544057 /nfs/dbraw/zinc/54/40/57/938544057.db2.gz KCZDTSGKMQOIMB-LSDHHAIUSA-N 1 1 404.430 4.242 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000538237068 938569330 /nfs/dbraw/zinc/56/93/30/938569330.db2.gz HWHSLFKFQQWKIJ-INIZCTEOSA-N 1 1 413.543 4.272 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538791585 938712596 /nfs/dbraw/zinc/71/25/96/938712596.db2.gz FDYLUPSISYEXDO-TZIWHRDSSA-N 1 1 412.486 4.183 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+](C)Cc3cn(C)nc3C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000538795184 938713433 /nfs/dbraw/zinc/71/34/33/938713433.db2.gz MDHCXXREZVGPAG-UHFFFAOYSA-N 1 1 424.379 4.248 20 5 HIBDMO COc1ccc(-c2ccc(C[N@@H+](C)Cc3cn(C)nc3C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000538795184 938713435 /nfs/dbraw/zinc/71/34/35/938713435.db2.gz MDHCXXREZVGPAG-UHFFFAOYSA-N 1 1 424.379 4.248 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@H]2CCO)ccc1Oc1ccccc1Cl ZINC000538812857 938719395 /nfs/dbraw/zinc/71/93/95/938719395.db2.gz KZUGPLGSYJDIAS-OAHLLOKOSA-N 1 1 408.907 4.340 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@H]2CCO)ccc1Oc1ccccc1Cl ZINC000538812857 938719396 /nfs/dbraw/zinc/71/93/96/938719396.db2.gz KZUGPLGSYJDIAS-OAHLLOKOSA-N 1 1 408.907 4.340 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539253559 938827160 /nfs/dbraw/zinc/82/71/60/938827160.db2.gz UWDLFSXJRUUCTM-KBPBESRZSA-N 1 1 421.457 4.405 20 5 HIBDMO CCOc1cc(C[N@H+]2C[C@@H](C)C[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539828501 938949400 /nfs/dbraw/zinc/94/94/00/938949400.db2.gz APNYOIXKNBRHFU-QFBILLFUSA-N 1 1 416.522 4.198 20 5 HIBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000539862371 938960448 /nfs/dbraw/zinc/96/04/48/938960448.db2.gz HXXROVVYVZLQDB-CYBMUJFWSA-N 1 1 409.280 4.476 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1)CC(C)C ZINC000540234822 939156082 /nfs/dbraw/zinc/15/60/82/939156082.db2.gz FRSWDUUBQXTFAZ-UHFFFAOYSA-N 1 1 400.523 4.296 20 5 HIBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540320613 939193352 /nfs/dbraw/zinc/19/33/52/939193352.db2.gz GFQWWVKQZCQLEY-INIZCTEOSA-N 1 1 410.474 4.047 20 5 HIBDMO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540320613 939193358 /nfs/dbraw/zinc/19/33/58/939193358.db2.gz GFQWWVKQZCQLEY-INIZCTEOSA-N 1 1 410.474 4.047 20 5 HIBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540320613 939193363 /nfs/dbraw/zinc/19/33/63/939193363.db2.gz GFQWWVKQZCQLEY-INIZCTEOSA-N 1 1 410.474 4.047 20 5 HIBDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000540353121 939204309 /nfs/dbraw/zinc/20/43/09/939204309.db2.gz ZINOKIWAVMVDDH-AWEZNQCLSA-N 1 1 406.442 4.449 20 5 HIBDMO COc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1Br ZINC000540368964 939212650 /nfs/dbraw/zinc/21/26/50/939212650.db2.gz CCWPLTYZENRJIS-JTQLQIEISA-N 1 1 406.236 4.358 20 5 HIBDMO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000540376676 939216581 /nfs/dbraw/zinc/21/65/81/939216581.db2.gz QPAOJQKUZZZAKU-KBXCAEBGSA-N 1 1 424.482 4.278 20 5 HIBDMO Cn1cc(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540810011 939379629 /nfs/dbraw/zinc/37/96/29/939379629.db2.gz GZGSFYNTPRXLCR-UHFFFAOYSA-N 1 1 402.458 4.372 20 5 HIBDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540961966 939421273 /nfs/dbraw/zinc/42/12/73/939421273.db2.gz LVNSLRTXDRDOIP-QWHCGFSZSA-N 1 1 409.280 4.210 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000541059766 939445807 /nfs/dbraw/zinc/44/58/07/939445807.db2.gz PMGITGJGGSLLJW-YQVWRLOYSA-N 1 1 407.555 4.190 20 5 HIBDMO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541270945 939488648 /nfs/dbraw/zinc/48/86/48/939488648.db2.gz YTRSXHUWVNXIRP-KGLIPLIRSA-N 1 1 411.955 4.110 20 5 HIBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)cc1 ZINC000541280546 939489104 /nfs/dbraw/zinc/48/91/04/939489104.db2.gz PTMQMHCKNDZKLR-JOCHJYFZSA-N 1 1 410.495 4.359 20 5 HIBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2cccc3ccccc32)cc1 ZINC000541280546 939489105 /nfs/dbraw/zinc/48/91/05/939489105.db2.gz PTMQMHCKNDZKLR-JOCHJYFZSA-N 1 1 410.495 4.359 20 5 HIBDMO CCc1ccc([C@H]([NH2+]C[C@@H](O)COc2cccc(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547495 939551162 /nfs/dbraw/zinc/55/11/62/939551162.db2.gz YKKXOQNGYMNBIU-AUSIDOKSSA-N 1 1 410.470 4.178 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730452 945270694 /nfs/dbraw/zinc/27/06/94/945270694.db2.gz HROSFGPRVWZTRL-VXKWHMMOSA-N 1 1 411.502 4.330 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730452 945270717 /nfs/dbraw/zinc/27/07/17/945270717.db2.gz HROSFGPRVWZTRL-VXKWHMMOSA-N 1 1 411.502 4.330 20 5 HIBDMO C[C@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542510354 939834794 /nfs/dbraw/zinc/83/47/94/939834794.db2.gz JMKHYVFGEMPHLV-XHSDSOJGSA-N 1 1 415.465 4.085 20 5 HIBDMO C[C@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542510354 939834795 /nfs/dbraw/zinc/83/47/95/939834795.db2.gz JMKHYVFGEMPHLV-XHSDSOJGSA-N 1 1 415.465 4.085 20 5 HIBDMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000542610313 939848133 /nfs/dbraw/zinc/84/81/33/939848133.db2.gz KIJWRGMYRNXQKI-HNNXBMFYSA-N 1 1 423.473 4.195 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000543620782 940136093 /nfs/dbraw/zinc/13/60/93/940136093.db2.gz MWDMPSMEPGDSST-SFHVURJKSA-N 1 1 411.506 4.135 20 5 HIBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000543636166 940144087 /nfs/dbraw/zinc/14/40/87/940144087.db2.gz WAWJAZXDCITIML-YADHBBJMSA-N 1 1 424.476 4.487 20 5 HIBDMO C[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544557948 940478441 /nfs/dbraw/zinc/47/84/41/940478441.db2.gz KOCGBHLADBPDHA-IAGOWNOFSA-N 1 1 405.514 4.341 20 5 HIBDMO Cc1cc(Cc2noc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)ccc1[N+](=O)[O-] ZINC000545146219 940550620 /nfs/dbraw/zinc/55/06/20/940550620.db2.gz XTWQNTWLMDSHLW-SFHVURJKSA-N 1 1 410.449 4.396 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000545149543 940551284 /nfs/dbraw/zinc/55/12/84/940551284.db2.gz DQQJVGWZPCCFHU-UHFFFAOYSA-N 1 1 401.482 4.168 20 5 HIBDMO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545830618 940619488 /nfs/dbraw/zinc/61/94/88/940619488.db2.gz BKCGRVOYKDMDIY-WMZOPIPTSA-N 1 1 413.493 4.038 20 5 HIBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546930532 940916958 /nfs/dbraw/zinc/91/69/58/940916958.db2.gz JPIFPQHHNYFLAI-QFIPXVFZSA-N 1 1 420.513 4.389 20 5 HIBDMO CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546930532 940916962 /nfs/dbraw/zinc/91/69/62/940916962.db2.gz JPIFPQHHNYFLAI-QFIPXVFZSA-N 1 1 420.513 4.389 20 5 HIBDMO CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546930532 940916977 /nfs/dbraw/zinc/91/69/77/940916977.db2.gz JPIFPQHHNYFLAI-QFIPXVFZSA-N 1 1 420.513 4.389 20 5 HIBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549338043 941181091 /nfs/dbraw/zinc/18/10/91/941181091.db2.gz NOADCBJRKWYLJP-ZDUSSCGKSA-N 1 1 405.380 4.387 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NCc3c(Cl)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549477263 941194665 /nfs/dbraw/zinc/19/46/65/941194665.db2.gz PZNKMHCPKKWVOL-PZJWPPBQSA-N 1 1 401.894 4.324 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NCc3c(Cl)cccc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000549477263 941194667 /nfs/dbraw/zinc/19/46/67/941194667.db2.gz PZNKMHCPKKWVOL-PZJWPPBQSA-N 1 1 401.894 4.324 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NCc3c(Cl)cccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000549477263 941194670 /nfs/dbraw/zinc/19/46/70/941194670.db2.gz PZNKMHCPKKWVOL-PZJWPPBQSA-N 1 1 401.894 4.324 20 5 HIBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000551259524 941437302 /nfs/dbraw/zinc/43/73/02/941437302.db2.gz QICRHWUHLMFDIX-KBPBESRZSA-N 1 1 424.339 4.049 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000551277060 941442121 /nfs/dbraw/zinc/44/21/21/941442121.db2.gz GTARTYNADLQGEV-QGZVFWFLSA-N 1 1 411.502 4.232 20 5 HIBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000552064095 941577653 /nfs/dbraw/zinc/57/76/53/941577653.db2.gz XJSTXDYETYBYPJ-AUUYWEPGSA-N 1 1 400.866 4.128 20 5 HIBDMO C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000555313010 942473044 /nfs/dbraw/zinc/47/30/44/942473044.db2.gz YVKXODOMBJYTCH-DVECYGJZSA-N 1 1 407.514 4.213 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000556909802 942961295 /nfs/dbraw/zinc/96/12/95/942961295.db2.gz MLABTYYYYZWOJS-QFIPXVFZSA-N 1 1 418.497 4.327 20 5 HIBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000557837535 943309118 /nfs/dbraw/zinc/30/91/18/943309118.db2.gz OMDPULRUNVWTGK-MRXNPFEDSA-N 1 1 405.564 4.289 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000558497555 943576516 /nfs/dbraw/zinc/57/65/16/943576516.db2.gz OVMVGDMANWXEDU-WOJBJXKFSA-N 1 1 408.502 4.197 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000558912078 943743235 /nfs/dbraw/zinc/74/32/35/943743235.db2.gz FTKDGZCLGZZHEW-MRXNPFEDSA-N 1 1 407.474 4.034 20 5 HIBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000559395945 943931026 /nfs/dbraw/zinc/93/10/26/943931026.db2.gz XOHLGOLIYANSOL-IBGZPJMESA-N 1 1 421.501 4.055 20 5 HIBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)cn1 ZINC000560257069 944209546 /nfs/dbraw/zinc/20/95/46/944209546.db2.gz KBZDYENTKYDKQX-UHFFFAOYSA-N 1 1 415.906 4.089 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000560527256 944242309 /nfs/dbraw/zinc/24/23/09/944242309.db2.gz CEGPKOFOCYYNLM-MRXNPFEDSA-N 1 1 421.320 4.074 20 5 HIBDMO Cn1ccnc1[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549892 944251355 /nfs/dbraw/zinc/25/13/55/944251355.db2.gz IOJXHSHDOMCYJH-ISKFKSNPSA-N 1 1 419.529 4.062 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000561493508 944634501 /nfs/dbraw/zinc/63/45/01/944634501.db2.gz BABYLIGUBPPRKM-LJQANCHMSA-N 1 1 411.502 4.195 20 5 HIBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)C1 ZINC000561773930 944791059 /nfs/dbraw/zinc/79/10/59/944791059.db2.gz PKFKOUASNOELDQ-NRFANRHFSA-N 1 1 415.877 4.208 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@H+](Cc4ccccc4)[C@@H](C)CO3)no2)c1 ZINC000564268698 945482840 /nfs/dbraw/zinc/48/28/40/945482840.db2.gz HYCAOWKCSLHPKV-MGPUTAFESA-N 1 1 424.457 4.006 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)[C@@H](C)CO3)no2)c1 ZINC000564268698 945482847 /nfs/dbraw/zinc/48/28/47/945482847.db2.gz HYCAOWKCSLHPKV-MGPUTAFESA-N 1 1 424.457 4.006 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000565741316 945876932 /nfs/dbraw/zinc/87/69/32/945876932.db2.gz JZKZIWXBDGRLKV-MRXNPFEDSA-N 1 1 401.532 4.346 20 5 HIBDMO C[N@@H+](CCCn1ccnc1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000566530237 946033292 /nfs/dbraw/zinc/03/32/92/946033292.db2.gz YBAPVSIPTGVAOE-UHFFFAOYSA-N 1 1 416.485 4.166 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCO[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000566753694 946087799 /nfs/dbraw/zinc/08/77/99/946087799.db2.gz XEIUYOHUPZNINV-GOTSBHOMSA-N 1 1 420.513 4.492 20 5 HIBDMO Cc1cc(Br)cn2cc(C[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)nc12 ZINC000568736336 946673815 /nfs/dbraw/zinc/67/38/15/946673815.db2.gz MWSXBJSATZWXQJ-CYBMUJFWSA-N 1 1 403.280 4.473 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000570067567 947083501 /nfs/dbraw/zinc/08/35/01/947083501.db2.gz WWXVLQODKNLVKO-HMXCVIKNSA-N 1 1 410.449 4.067 20 5 HIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000570490697 947267979 /nfs/dbraw/zinc/26/79/79/947267979.db2.gz WLDVDGZXUPEQDI-OAHLLOKOSA-N 1 1 402.520 4.252 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000571196978 947540583 /nfs/dbraw/zinc/54/05/83/947540583.db2.gz WWHYOSFHIOPDQC-OAHLLOKOSA-N 1 1 417.456 4.106 20 5 HIBDMO COc1ccc(C[NH2+]Cc2ccn(C(C)C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000573710907 948280066 /nfs/dbraw/zinc/28/00/66/948280066.db2.gz ZJLFKDIPXSRMMW-UHFFFAOYSA-N 1 1 410.474 4.250 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001165030212 721830772 /nfs/dbraw/zinc/83/07/72/721830772.db2.gz YZQBACKQIMHRJJ-CDNPAEQRSA-N 1 1 417.513 4.275 20 5 HIBDMO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000435949462 861212173 /nfs/dbraw/zinc/21/21/73/861212173.db2.gz MEKWSIGPMLBTNP-UHFFFAOYSA-N 1 1 411.505 4.029 20 5 HIBDMO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000435949462 861212192 /nfs/dbraw/zinc/21/21/92/861212192.db2.gz MEKWSIGPMLBTNP-UHFFFAOYSA-N 1 1 411.505 4.029 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436154828 861455356 /nfs/dbraw/zinc/45/53/56/861455356.db2.gz QONFJNAZRLZMOR-IYBDPMFKSA-N 1 1 423.532 4.307 20 5 HIBDMO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2c1 ZINC000007926666 845448473 /nfs/dbraw/zinc/44/84/73/845448473.db2.gz CWTYAROAYSGMJZ-OAHLLOKOSA-N 1 1 423.469 4.224 20 5 HIBDMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2c1 ZINC000007926666 845448479 /nfs/dbraw/zinc/44/84/79/845448479.db2.gz CWTYAROAYSGMJZ-OAHLLOKOSA-N 1 1 423.469 4.224 20 5 HIBDMO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2c1 ZINC000007926665 845448732 /nfs/dbraw/zinc/44/87/32/845448732.db2.gz CWTYAROAYSGMJZ-HNNXBMFYSA-N 1 1 423.469 4.224 20 5 HIBDMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2c1 ZINC000007926665 845448736 /nfs/dbraw/zinc/44/87/36/845448736.db2.gz CWTYAROAYSGMJZ-HNNXBMFYSA-N 1 1 423.469 4.224 20 5 HIBDMO CC[NH+](CC)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccco1 ZINC000436311908 861616297 /nfs/dbraw/zinc/61/62/97/861616297.db2.gz YKAQIQMZTGLNMN-LJQANCHMSA-N 1 1 421.472 4.226 20 5 HIBDMO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1F ZINC000014042597 845920043 /nfs/dbraw/zinc/92/00/43/845920043.db2.gz IRPIMCLDPMPKJZ-NSHDSACASA-N 1 1 418.425 4.286 20 5 HIBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000015787757 846091155 /nfs/dbraw/zinc/09/11/55/846091155.db2.gz FPHFRVDVCNLIGG-LJQANCHMSA-N 1 1 419.934 4.294 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025461646 846982026 /nfs/dbraw/zinc/98/20/26/846982026.db2.gz NFKPTHSGIHWVGG-INIZCTEOSA-N 1 1 413.543 4.029 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000026224902 847106163 /nfs/dbraw/zinc/10/61/63/847106163.db2.gz YFHZAZPELWJOBX-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000029174342 847520664 /nfs/dbraw/zinc/52/06/64/847520664.db2.gz VYLUDGVNDCALAY-NRFANRHFSA-N 1 1 413.543 4.129 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000045787969 848728294 /nfs/dbraw/zinc/72/82/94/848728294.db2.gz KGQZUHLYOLTYGO-GOSISDBHSA-N 1 1 410.518 4.168 20 5 HIBDMO O=C(c1ccccc1)c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000052407570 849578497 /nfs/dbraw/zinc/57/84/97/849578497.db2.gz RSSWUXHVOYAVBE-UHFFFAOYSA-N 1 1 416.481 4.297 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000053158001 849673308 /nfs/dbraw/zinc/67/33/08/849673308.db2.gz UYTSCYZDBGGDCD-SFHVURJKSA-N 1 1 403.866 4.423 20 5 HIBDMO COc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c([N+](=O)[O-])cc1OC ZINC000055448793 850026538 /nfs/dbraw/zinc/02/65/38/850026538.db2.gz UQCNLIPYDAQPFW-OAHLLOKOSA-N 1 1 413.474 4.239 20 5 HIBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000437042816 862234860 /nfs/dbraw/zinc/23/48/60/862234860.db2.gz UCXIVYDQKLKWCN-INIZCTEOSA-N 1 1 421.419 4.208 20 5 HIBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000065674543 852214108 /nfs/dbraw/zinc/21/41/08/852214108.db2.gz KBPNIHSJAZLBFH-ZWKOTPCHSA-N 1 1 410.518 4.057 20 5 HIBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110478365 853105341 /nfs/dbraw/zinc/10/53/41/853105341.db2.gz WFBDVOZZKULIMK-INIZCTEOSA-N 1 1 412.421 4.042 20 5 HIBDMO CC(C)(C)[C@H]([NH2+]Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccc(F)cc1 ZINC000140725004 853451702 /nfs/dbraw/zinc/45/17/02/853451702.db2.gz UVEVJSCYNFXCSH-OAQYLSRUSA-N 1 1 410.449 4.292 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1csc(Br)c1 ZINC000166082975 853654047 /nfs/dbraw/zinc/65/40/47/853654047.db2.gz HFYFGNLAOMOHEX-UHFFFAOYSA-N 1 1 412.309 4.188 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccccc2Cl)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237121036 853967614 /nfs/dbraw/zinc/96/76/14/853967614.db2.gz RWWCALSBAJITSP-UHFFFAOYSA-N 1 1 404.772 4.488 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000237202706 853980979 /nfs/dbraw/zinc/98/09/79/853980979.db2.gz WLLVJIIDIDHBNY-UHFFFAOYSA-N 1 1 415.453 4.141 20 5 HIBDMO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1nnnn1-c1ccccc1 ZINC000237568742 854056273 /nfs/dbraw/zinc/05/62/73/854056273.db2.gz RKMGEVLREWJNIJ-AWEZNQCLSA-N 1 1 406.471 4.150 20 5 HIBDMO Cc1ccc(Sc2ccc(C[NH2+]CC(=O)NCc3ccco3)cc2[N+](=O)[O-])cc1 ZINC000237871703 854111667 /nfs/dbraw/zinc/11/16/67/854111667.db2.gz BUVIFOQCSORHPU-UHFFFAOYSA-N 1 1 411.483 4.053 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CNCC3([NH+]4CCSCC4)CCCC3)cs2)c1 ZINC000238005883 854132805 /nfs/dbraw/zinc/13/28/05/854132805.db2.gz FTIKANKYHLKUOX-UHFFFAOYSA-N 1 1 418.588 4.170 20 5 HIBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000251223130 854197321 /nfs/dbraw/zinc/19/73/21/854197321.db2.gz IOIXGUQQEGATMY-HNAYVOBHSA-N 1 1 400.866 4.396 20 5 HIBDMO C[N@H+]1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301412952 854387360 /nfs/dbraw/zinc/38/73/60/854387360.db2.gz KWJNDHWBEVIMFB-FOIQADDNSA-N 1 1 414.531 4.044 20 5 HIBDMO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Br)[NH+]2CCCC2)cc1 ZINC000301512895 854410389 /nfs/dbraw/zinc/41/03/89/854410389.db2.gz DOEHWKYUECPAAX-KRWDZBQOSA-N 1 1 421.295 4.010 20 5 HIBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301723680 854452363 /nfs/dbraw/zinc/45/23/63/854452363.db2.gz SJYOIZGGGMVVMS-QGZVFWFLSA-N 1 1 404.470 4.018 20 5 HIBDMO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)nn21 ZINC000302003505 854514739 /nfs/dbraw/zinc/51/47/39/854514739.db2.gz RJYKXTYKHZLXQC-UHFFFAOYSA-N 1 1 421.288 4.021 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000303046285 854737420 /nfs/dbraw/zinc/73/74/20/854737420.db2.gz QSXCTGUWNYTDAO-LJQANCHMSA-N 1 1 407.392 4.296 20 5 HIBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000303335550 854879042 /nfs/dbraw/zinc/87/90/42/854879042.db2.gz KLZCWZVKJMUTHB-UHFFFAOYSA-N 1 1 422.312 4.225 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000303540327 855025718 /nfs/dbraw/zinc/02/57/18/855025718.db2.gz JLPFYAHVTDTWMK-SFHVURJKSA-N 1 1 421.501 4.004 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000303594564 855067242 /nfs/dbraw/zinc/06/72/42/855067242.db2.gz WDDLYHBOLCGGJB-HNNXBMFYSA-N 1 1 410.946 4.019 20 5 HIBDMO CC[C@@]1(CO)CCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462700 856303357 /nfs/dbraw/zinc/30/33/57/856303357.db2.gz RVMULIXCQXUCFP-JTHBVZDNSA-N 1 1 411.502 4.068 20 5 HIBDMO CC[C@@]1(CO)CCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462700 856303367 /nfs/dbraw/zinc/30/33/67/856303367.db2.gz RVMULIXCQXUCFP-JTHBVZDNSA-N 1 1 411.502 4.068 20 5 HIBDMO COCC[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426497798 856320956 /nfs/dbraw/zinc/32/09/56/856320956.db2.gz FPARMZXERXFGJR-INIZCTEOSA-N 1 1 406.866 4.278 20 5 HIBDMO COCC[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426497798 856320967 /nfs/dbraw/zinc/32/09/67/856320967.db2.gz FPARMZXERXFGJR-INIZCTEOSA-N 1 1 406.866 4.278 20 5 HIBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000428532736 857245894 /nfs/dbraw/zinc/24/58/94/857245894.db2.gz BPIKVZSCSZOJHL-UHFFFAOYSA-N 1 1 420.874 4.202 20 5 HIBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000428551560 857260321 /nfs/dbraw/zinc/26/03/21/857260321.db2.gz XJURJAXFQFRKEL-UHFFFAOYSA-N 1 1 420.874 4.202 20 5 HIBDMO CC(C)([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1[N+](=O)[O-] ZINC000429275613 857586690 /nfs/dbraw/zinc/58/66/90/857586690.db2.gz VAAUIPZTCOUGFY-UHFFFAOYSA-N 1 1 411.458 4.100 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430202874 858079992 /nfs/dbraw/zinc/07/99/92/858079992.db2.gz YSTBHEKYXAOEEP-GFCCVEGCSA-N 1 1 408.442 4.120 20 5 HIBDMO Cc1cc(OCC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)ccc1[N+](=O)[O-] ZINC000430549676 858214801 /nfs/dbraw/zinc/21/48/01/858214801.db2.gz IZQAGCRIGANOPE-UHFFFAOYSA-N 1 1 408.458 4.289 20 5 HIBDMO C[C@H]1C[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430823558 858318104 /nfs/dbraw/zinc/31/81/04/858318104.db2.gz ODIMGCHELQXKAE-LAUBAEHRSA-N 1 1 421.501 4.130 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000431671305 858728422 /nfs/dbraw/zinc/72/84/22/858728422.db2.gz SWGFQQBPDZHWQK-YLJYHZDGSA-N 1 1 410.518 4.182 20 5 HIBDMO CC(C)(NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431799498 858817532 /nfs/dbraw/zinc/81/75/32/858817532.db2.gz LRZYPJHZXGSGII-MRXNPFEDSA-N 1 1 416.547 4.103 20 5 HIBDMO CC(C)(NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431799496 858817550 /nfs/dbraw/zinc/81/75/50/858817550.db2.gz LRZYPJHZXGSGII-INIZCTEOSA-N 1 1 416.547 4.103 20 5 HIBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000434325568 860285876 /nfs/dbraw/zinc/28/58/76/860285876.db2.gz JDUIJYPTAJLMLB-FQEVSTJZSA-N 1 1 419.485 4.107 20 5 HIBDMO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000434794490 860496757 /nfs/dbraw/zinc/49/67/57/860496757.db2.gz NUNKXPHQXRCZEJ-PMACEKPBSA-N 1 1 421.453 4.171 20 5 HIBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000434989692 860587840 /nfs/dbraw/zinc/58/78/40/860587840.db2.gz BXVXRPYAHBHJBV-IBGZPJMESA-N 1 1 413.543 4.403 20 5 HIBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000434989692 860587843 /nfs/dbraw/zinc/58/78/43/860587843.db2.gz BXVXRPYAHBHJBV-IBGZPJMESA-N 1 1 413.543 4.403 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCN(c2cnccn2)CC1 ZINC000435061948 860622354 /nfs/dbraw/zinc/62/23/54/860622354.db2.gz VSXGQKSYXQMRSA-UHFFFAOYSA-N 1 1 409.515 4.214 20 5 HIBDMO CCc1nc(C[NH+]2CCC(CNc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)cs1 ZINC000467803172 881628658 /nfs/dbraw/zinc/62/86/58/881628658.db2.gz NTJNKTTZWQIWGC-UHFFFAOYSA-N 1 1 408.499 4.086 20 5 HIBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000438528066 863954206 /nfs/dbraw/zinc/95/42/06/863954206.db2.gz LKGYWCGXIYMZBT-QHCPKHFHSA-N 1 1 421.522 4.310 20 5 HIBDMO C[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000438540088 863966599 /nfs/dbraw/zinc/96/65/99/863966599.db2.gz INHKBFQATGHMJX-UHFFFAOYSA-N 1 1 406.866 4.014 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000439155389 864587847 /nfs/dbraw/zinc/58/78/47/864587847.db2.gz PMMMBFLSTRMZQP-MAUKXSAKSA-N 1 1 401.894 4.197 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440546807 865814230 /nfs/dbraw/zinc/81/42/30/865814230.db2.gz OGRWFBRFQZKRSE-WQLIQUDQSA-N 1 1 412.490 4.375 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440546807 865814231 /nfs/dbraw/zinc/81/42/31/865814231.db2.gz OGRWFBRFQZKRSE-WQLIQUDQSA-N 1 1 412.490 4.375 20 5 HIBDMO COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071804 867810087 /nfs/dbraw/zinc/81/00/87/867810087.db2.gz QPRREAFBTFDBJW-OXJNMPFZSA-N 1 1 400.475 4.182 20 5 HIBDMO CO[C@@H](C)c1nc(CN2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250671 882154277 /nfs/dbraw/zinc/15/42/77/882154277.db2.gz LPSPEKKGMCYRNP-HOTGVXAUSA-N 1 1 404.536 4.028 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443641466 868224844 /nfs/dbraw/zinc/22/48/44/868224844.db2.gz PRDUEMQKZKTZGY-INIZCTEOSA-N 1 1 403.866 4.039 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642730 868227829 /nfs/dbraw/zinc/22/78/29/868227829.db2.gz PCTBQHILXOMWPC-KBPBESRZSA-N 1 1 412.421 4.082 20 5 HIBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642730 868227849 /nfs/dbraw/zinc/22/78/49/868227849.db2.gz PCTBQHILXOMWPC-KBPBESRZSA-N 1 1 412.421 4.082 20 5 HIBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444012069 868534350 /nfs/dbraw/zinc/53/43/50/868534350.db2.gz UVKIEHGWIPIKEP-MRXNPFEDSA-N 1 1 423.532 4.451 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444032412 868564662 /nfs/dbraw/zinc/56/46/62/868564662.db2.gz KOOVGUUTMPAZNU-OALUTQOASA-N 1 1 417.553 4.408 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000444658696 868937222 /nfs/dbraw/zinc/93/72/22/868937222.db2.gz ODYGZQGVRSAIKI-AWEZNQCLSA-N 1 1 422.420 4.040 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000444658696 868937234 /nfs/dbraw/zinc/93/72/34/868937234.db2.gz ODYGZQGVRSAIKI-AWEZNQCLSA-N 1 1 422.420 4.040 20 5 HIBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(OCc2ccccn2)c1 ZINC000444691487 868960080 /nfs/dbraw/zinc/96/00/80/868960080.db2.gz ZKCQSYXNQIKAQN-HNNXBMFYSA-N 1 1 403.442 4.296 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000444903312 869091655 /nfs/dbraw/zinc/09/16/55/869091655.db2.gz XSEKTGKAYOHQLA-RXVVDRJESA-N 1 1 424.501 4.122 20 5 HIBDMO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000446834983 870751882 /nfs/dbraw/zinc/75/18/82/870751882.db2.gz ZPPPOZPYZQRYBG-NSHDSACASA-N 1 1 413.257 4.304 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000446838042 870756962 /nfs/dbraw/zinc/75/69/62/870756962.db2.gz DLCRRKAUACYAIC-IBGZPJMESA-N 1 1 405.502 4.476 20 5 HIBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)n1 ZINC000446975627 870873811 /nfs/dbraw/zinc/87/38/11/870873811.db2.gz RYJHOULIFKYXKO-CQSZACIVSA-N 1 1 413.503 4.152 20 5 HIBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC000447530084 871395176 /nfs/dbraw/zinc/39/51/76/871395176.db2.gz NFOFHZIOTGDXRT-GLHNNUHNSA-N 1 1 409.534 4.060 20 5 HIBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cn3cc(Br)ccc3n1)CCC2 ZINC000447535234 871400453 /nfs/dbraw/zinc/40/04/53/871400453.db2.gz DQDDDVOJILOTFU-QGZVFWFLSA-N 1 1 401.264 4.172 20 5 HIBDMO Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)nc12 ZINC000447594631 871499493 /nfs/dbraw/zinc/49/94/93/871499493.db2.gz HHECVMWPAQLOIJ-GOSISDBHSA-N 1 1 415.291 4.481 20 5 HIBDMO CC(C)c1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461433608 874481650 /nfs/dbraw/zinc/48/16/50/874481650.db2.gz WUXUEEVLAGTEAK-LEWJYISDSA-N 1 1 407.514 4.312 20 5 HIBDMO Cc1cc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000461780665 874903487 /nfs/dbraw/zinc/90/34/87/874903487.db2.gz UMJQWIGYZDBYIX-UHFFFAOYSA-N 1 1 417.481 4.144 20 5 HIBDMO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000462121901 875224815 /nfs/dbraw/zinc/22/48/15/875224815.db2.gz IKIAXQDTUCJGKW-UHFFFAOYSA-N 1 1 408.414 4.223 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462629793 875741644 /nfs/dbraw/zinc/74/16/44/875741644.db2.gz XLGXFRPYCAQNTA-BWAGFHJFSA-N 1 1 409.530 4.333 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)c1C ZINC000462767538 875828847 /nfs/dbraw/zinc/82/88/47/875828847.db2.gz WQRFNHQWSOXBNO-UHFFFAOYSA-N 1 1 402.357 4.251 20 5 HIBDMO COc1ccc(-c2ccc(CNc3cccc(C[N@H+]4CC[C@H](O)C4)c3)o2)c([N+](=O)[O-])c1 ZINC000462857142 875891160 /nfs/dbraw/zinc/89/11/60/875891160.db2.gz RWIQKUIJPWDHLI-SFHVURJKSA-N 1 1 423.469 4.042 20 5 HIBDMO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885773 875913769 /nfs/dbraw/zinc/91/37/69/875913769.db2.gz UGCPYMKMWWTVBR-LAUBAEHRSA-N 1 1 423.542 4.339 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463709822 876829033 /nfs/dbraw/zinc/82/90/33/876829033.db2.gz LGEKMLGGJGLRNA-MRXNPFEDSA-N 1 1 407.392 4.008 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000463964870 877091460 /nfs/dbraw/zinc/09/14/60/877091460.db2.gz OPALRVCXBMRIIK-UHFFFAOYSA-N 1 1 410.518 4.384 20 5 HIBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000464677131 877894334 /nfs/dbraw/zinc/89/43/34/877894334.db2.gz LOMICPBOMILTQC-QFBILLFUSA-N 1 1 401.482 4.227 20 5 HIBDMO COc1cc(C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c([N+](=O)[O-])cc1F ZINC000464680099 877896665 /nfs/dbraw/zinc/89/66/65/877896665.db2.gz LZOWAEBNDKWMAB-UHFFFAOYSA-N 1 1 416.428 4.336 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464735457 877972212 /nfs/dbraw/zinc/97/22/12/877972212.db2.gz SUMDPPDVGWMXIF-CQSZACIVSA-N 1 1 421.847 4.261 20 5 HIBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464735457 877972221 /nfs/dbraw/zinc/97/22/21/877972221.db2.gz SUMDPPDVGWMXIF-CQSZACIVSA-N 1 1 421.847 4.261 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464760946 878003854 /nfs/dbraw/zinc/00/38/54/878003854.db2.gz KIRXFPMINGSRMT-HZPDHXFCSA-N 1 1 415.515 4.045 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464760946 878003879 /nfs/dbraw/zinc/00/38/79/878003879.db2.gz KIRXFPMINGSRMT-HZPDHXFCSA-N 1 1 415.515 4.045 20 5 HIBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000464969586 878309401 /nfs/dbraw/zinc/30/94/01/878309401.db2.gz AOBIFSIBMJLHIC-LJQANCHMSA-N 1 1 409.530 4.486 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)C1 ZINC000465191607 878588277 /nfs/dbraw/zinc/58/82/77/878588277.db2.gz MCFYGQISQIKRIE-OAHLLOKOSA-N 1 1 409.442 4.314 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)o1 ZINC000466415327 880185683 /nfs/dbraw/zinc/18/56/83/880185683.db2.gz NCHXUAWSMDQONA-UHFFFAOYSA-N 1 1 407.348 4.481 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Br ZINC000467040409 880837209 /nfs/dbraw/zinc/83/72/09/880837209.db2.gz JVBUJHSYQOEJRX-UHFFFAOYSA-N 1 1 412.671 4.325 20 5 HIBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000467113017 880872151 /nfs/dbraw/zinc/87/21/51/880872151.db2.gz OLXMBUGKNJQLOF-UHFFFAOYSA-N 1 1 419.456 4.281 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccs1 ZINC000467220903 880950269 /nfs/dbraw/zinc/95/02/69/880950269.db2.gz YCJSZDNGHZBOGL-RDTXWAMCSA-N 1 1 422.938 4.192 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000467223705 880953038 /nfs/dbraw/zinc/95/30/38/880953038.db2.gz GLQLNGWJSRXZPP-MSOLQXFVSA-N 1 1 423.300 4.146 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000467223705 880953050 /nfs/dbraw/zinc/95/30/50/880953050.db2.gz GLQLNGWJSRXZPP-MSOLQXFVSA-N 1 1 423.300 4.146 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000467223710 880953442 /nfs/dbraw/zinc/95/34/42/880953442.db2.gz GLQLNGWJSRXZPP-ZWKOTPCHSA-N 1 1 423.300 4.146 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000467223710 880953455 /nfs/dbraw/zinc/95/34/55/880953455.db2.gz GLQLNGWJSRXZPP-ZWKOTPCHSA-N 1 1 423.300 4.146 20 5 HIBDMO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)c([N+](=O)[O-])cc1F ZINC000469756548 883922141 /nfs/dbraw/zinc/92/21/41/883922141.db2.gz MPBQTPBJOSHLDR-JTQLQIEISA-N 1 1 413.243 4.364 20 5 HIBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154211 884425849 /nfs/dbraw/zinc/42/58/49/884425849.db2.gz ZNGWBGUQRLUGEI-SXGZJXTBSA-N 1 1 415.877 4.126 20 5 HIBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154211 884425857 /nfs/dbraw/zinc/42/58/57/884425857.db2.gz ZNGWBGUQRLUGEI-SXGZJXTBSA-N 1 1 415.877 4.126 20 5 HIBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471003760 885505211 /nfs/dbraw/zinc/50/52/11/885505211.db2.gz ANARAYSAIWIRQN-SFHVURJKSA-N 1 1 409.408 4.393 20 5 HIBDMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000471038017 885546996 /nfs/dbraw/zinc/54/69/96/885546996.db2.gz IOJHSTACSUYUOU-WMZHIEFXSA-N 1 1 424.545 4.247 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472350744 887186824 /nfs/dbraw/zinc/18/68/24/887186824.db2.gz QPXGNNLMCCIVNU-QKKBWIMNSA-N 1 1 401.438 4.154 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@](C)(OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475292592 890196557 /nfs/dbraw/zinc/19/65/57/890196557.db2.gz TXZPBUJWCPMHEF-QFIPXVFZSA-N 1 1 400.475 4.183 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@]3(CO)Cc3ccccc3)cs2)c1 ZINC000475375181 890304222 /nfs/dbraw/zinc/30/42/22/890304222.db2.gz OZUJJEQHIJNHIV-JOCHJYFZSA-N 1 1 409.511 4.288 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000475567056 890498145 /nfs/dbraw/zinc/49/81/45/890498145.db2.gz VZVIRWPZLOGXDQ-UHFFFAOYSA-N 1 1 410.518 4.384 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000475585582 890513449 /nfs/dbraw/zinc/51/34/49/890513449.db2.gz WBGJSGBEUDCDES-KRWDZBQOSA-N 1 1 404.850 4.137 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000475585582 890513454 /nfs/dbraw/zinc/51/34/54/890513454.db2.gz WBGJSGBEUDCDES-KRWDZBQOSA-N 1 1 404.850 4.137 20 5 HIBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000477290296 892249276 /nfs/dbraw/zinc/24/92/76/892249276.db2.gz OLTPZXSRGCGKFX-SFHVURJKSA-N 1 1 404.555 4.415 20 5 HIBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCSC)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000504912199 913646950 /nfs/dbraw/zinc/64/69/50/913646950.db2.gz RXFHHWSFSLBPKI-ZBFHGGJFSA-N 1 1 415.519 4.181 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053972 893205813 /nfs/dbraw/zinc/20/58/13/893205813.db2.gz NWNQVNOGZZVEFC-IEBWSBKVSA-N 1 1 416.566 4.207 20 5 HIBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000479509726 894822967 /nfs/dbraw/zinc/82/29/67/894822967.db2.gz COAHKDDLKUVVHN-DOMZBBRYSA-N 1 1 414.380 4.276 20 5 HIBDMO Cc1c(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480057305 895404421 /nfs/dbraw/zinc/40/44/21/895404421.db2.gz UQZXFYRKWFFYGX-LAUBAEHRSA-N 1 1 410.518 4.098 20 5 HIBDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481209488 896561511 /nfs/dbraw/zinc/56/15/11/896561511.db2.gz ZBUJAXDWMKJBJY-LLGFUMIMSA-N 1 1 421.501 4.206 20 5 HIBDMO CNC(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1 ZINC000481838529 897205810 /nfs/dbraw/zinc/20/58/10/897205810.db2.gz RRMSVAPQVHFLJQ-LJQANCHMSA-N 1 1 413.861 4.475 20 5 HIBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481850219 897217161 /nfs/dbraw/zinc/21/71/61/897217161.db2.gz VEJVJNSRMUENRA-PXNSSMCTSA-N 1 1 413.905 4.375 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CC(C)(C)O[C@]4(CCCOC4)C3)o2)c([N+](=O)[O-])c1 ZINC000482447346 898012379 /nfs/dbraw/zinc/01/23/79/898012379.db2.gz DXSCPIXRQGDPPT-JOCHJYFZSA-N 1 1 416.474 4.023 20 5 HIBDMO C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000483459126 899097155 /nfs/dbraw/zinc/09/71/55/899097155.db2.gz VPKNMXKYOWYXLX-KSFYIVLOSA-N 1 1 410.495 4.439 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1SC ZINC000484594790 900057154 /nfs/dbraw/zinc/05/71/54/900057154.db2.gz UWMNBNQROHJDFB-UHFFFAOYSA-N 1 1 417.531 4.096 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485816543 901064707 /nfs/dbraw/zinc/06/47/07/901064707.db2.gz OMJZKZHGNADCSR-OAHLLOKOSA-N 1 1 416.909 4.307 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000485816543 901064722 /nfs/dbraw/zinc/06/47/22/901064722.db2.gz OMJZKZHGNADCSR-OAHLLOKOSA-N 1 1 416.909 4.307 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000485823687 901071204 /nfs/dbraw/zinc/07/12/04/901071204.db2.gz JNPCGYDDKWOREW-INIZCTEOSA-N 1 1 401.894 4.466 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000485823687 901071215 /nfs/dbraw/zinc/07/12/15/901071215.db2.gz JNPCGYDDKWOREW-INIZCTEOSA-N 1 1 401.894 4.466 20 5 HIBDMO CSc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000486478550 901637484 /nfs/dbraw/zinc/63/74/84/901637484.db2.gz LSHQGQKCKHXSPJ-INIZCTEOSA-N 1 1 413.543 4.479 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000486753922 901830634 /nfs/dbraw/zinc/83/06/34/901830634.db2.gz QVELKXWTNAWHMR-SJORKVTESA-N 1 1 405.564 4.433 20 5 HIBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486888596 901934111 /nfs/dbraw/zinc/93/41/11/901934111.db2.gz SHCJUJPOKBXGDF-HOCLYGCPSA-N 1 1 402.882 4.280 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000486913819 901960261 /nfs/dbraw/zinc/96/02/61/901960261.db2.gz WWKXNRFLECWMIR-RBUKOAKNSA-N 1 1 404.417 4.219 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000486913819 901960283 /nfs/dbraw/zinc/96/02/83/901960283.db2.gz WWKXNRFLECWMIR-RBUKOAKNSA-N 1 1 404.417 4.219 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000487477790 902222300 /nfs/dbraw/zinc/22/23/00/902222300.db2.gz UUOKEHFNZHPSIP-OAHLLOKOSA-N 1 1 415.515 4.352 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000505965683 914625267 /nfs/dbraw/zinc/62/52/67/914625267.db2.gz WIVPJSTXYNMHSG-UHFFFAOYSA-N 1 1 401.532 4.479 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490325607 903906437 /nfs/dbraw/zinc/90/64/37/903906437.db2.gz BLKAVFCNTMXTEP-VQTJNVASSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490325607 903906459 /nfs/dbraw/zinc/90/64/59/903906459.db2.gz BLKAVFCNTMXTEP-VQTJNVASSA-N 1 1 403.429 4.135 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490797048 904241827 /nfs/dbraw/zinc/24/18/27/904241827.db2.gz NNFINDGSVWLDCN-FUHWJXTLSA-N 1 1 413.543 4.347 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506099428 914803074 /nfs/dbraw/zinc/80/30/74/914803074.db2.gz QIAXEKQQHDEGLH-HXUWFJFHSA-N 1 1 420.469 4.104 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000491138864 904450073 /nfs/dbraw/zinc/45/00/73/904450073.db2.gz QIZQPVDRXLPPCG-HNNXBMFYSA-N 1 1 400.385 4.303 20 5 HIBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000491288201 904518440 /nfs/dbraw/zinc/51/84/40/904518440.db2.gz DCOXQWBHQDUMPF-HXUWFJFHSA-N 1 1 422.529 4.011 20 5 HIBDMO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000492265258 904825626 /nfs/dbraw/zinc/82/56/26/904825626.db2.gz DGIWKEQIACLOOV-HKUYNNGSSA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000492265258 904825627 /nfs/dbraw/zinc/82/56/27/904825627.db2.gz DGIWKEQIACLOOV-HKUYNNGSSA-N 1 1 401.894 4.087 20 5 HIBDMO Cn1cc(C[N@@H+](C)Cc2cccc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506221024 914850371 /nfs/dbraw/zinc/85/03/71/914850371.db2.gz YBBSWGLHYSMJGR-UHFFFAOYSA-N 1 1 415.291 4.390 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492960439 904968256 /nfs/dbraw/zinc/96/82/56/904968256.db2.gz MGMFJAGYKMHKMK-UYAOXDASSA-N 1 1 410.518 4.128 20 5 HIBDMO C[C@H]1[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000494069338 905407084 /nfs/dbraw/zinc/40/70/84/905407084.db2.gz OJQWDYQQXQKNKW-LAUBAEHRSA-N 1 1 416.481 4.050 20 5 HIBDMO C[C@H]1[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1Cc1ccccc1 ZINC000494070075 905408808 /nfs/dbraw/zinc/40/88/08/905408808.db2.gz UQQCMTQLDRKBQP-HTAPYJJXSA-N 1 1 411.505 4.074 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000494105434 905442902 /nfs/dbraw/zinc/44/29/02/905442902.db2.gz KDJALTHIYLGTLA-RTBURBONSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000494105434 905442906 /nfs/dbraw/zinc/44/29/06/905442906.db2.gz KDJALTHIYLGTLA-RTBURBONSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494105430 905442967 /nfs/dbraw/zinc/44/29/67/905442967.db2.gz KDJALTHIYLGTLA-MOPGFXCFSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494105430 905442977 /nfs/dbraw/zinc/44/29/77/905442977.db2.gz KDJALTHIYLGTLA-MOPGFXCFSA-N 1 1 423.847 4.480 20 5 HIBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000494127682 905471340 /nfs/dbraw/zinc/47/13/40/905471340.db2.gz NSTPTLIJDANTFJ-AZUAARDMSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000494127682 905471347 /nfs/dbraw/zinc/47/13/47/905471347.db2.gz NSTPTLIJDANTFJ-AZUAARDMSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000494164757 905501058 /nfs/dbraw/zinc/50/10/58/905501058.db2.gz RKZMAYQHWVJJAT-QUCCMNQESA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000494164757 905501073 /nfs/dbraw/zinc/50/10/73/905501073.db2.gz RKZMAYQHWVJJAT-QUCCMNQESA-N 1 1 403.429 4.135 20 5 HIBDMO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000494257719 905581801 /nfs/dbraw/zinc/58/18/01/905581801.db2.gz TZLGRLWEDKCXRH-ZWKOTPCHSA-N 1 1 411.502 4.024 20 5 HIBDMO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000512444511 921166075 /nfs/dbraw/zinc/16/60/75/921166075.db2.gz PQNQNVWBXFFBJG-QGZVFWFLSA-N 1 1 400.454 4.076 20 5 HIBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512706297 921293305 /nfs/dbraw/zinc/29/33/05/921293305.db2.gz YAUOXRKUYWGICO-NRFANRHFSA-N 1 1 406.486 4.211 20 5 HIBDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512706298 921293342 /nfs/dbraw/zinc/29/33/42/921293342.db2.gz YAUOXRKUYWGICO-OAQYLSRUSA-N 1 1 406.486 4.211 20 5 HIBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 ZINC000497753962 907245027 /nfs/dbraw/zinc/24/50/27/907245027.db2.gz WJTAUIFKCJPFIK-UHFFFAOYSA-N 1 1 418.497 4.224 20 5 HIBDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCC(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000500124440 909607094 /nfs/dbraw/zinc/60/70/94/909607094.db2.gz NQCYCVBMFSDCJJ-UHFFFAOYSA-N 1 1 420.469 4.203 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000513091269 921541124 /nfs/dbraw/zinc/54/11/24/921541124.db2.gz ZBDCMSMTBTYXHX-SFHVURJKSA-N 1 1 419.481 4.497 20 5 HIBDMO C[C@@H](c1ccccc1Br)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501040457 910255409 /nfs/dbraw/zinc/25/54/09/910255409.db2.gz ZYKADJOVJHMFPT-ZDUSSCGKSA-N 1 1 406.280 4.379 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513123083 921568010 /nfs/dbraw/zinc/56/80/10/921568010.db2.gz RMGONDXDPIKGSF-HXUWFJFHSA-N 1 1 420.469 4.104 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC=Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000501717319 910785585 /nfs/dbraw/zinc/78/55/85/910785585.db2.gz UHFFTQNFYMZLFZ-HIZXUYSRSA-N 1 1 423.517 4.339 20 5 HIBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502354430 911333404 /nfs/dbraw/zinc/33/34/04/911333404.db2.gz OKQZNCGOIAWOOX-RDJZCZTQSA-N 1 1 411.506 4.387 20 5 HIBDMO C[N@@H+](CC1CCOCC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000502553221 911561588 /nfs/dbraw/zinc/56/15/88/911561588.db2.gz LBTNYWLQFZXKHT-HXUWFJFHSA-N 1 1 417.893 4.286 20 5 HIBDMO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506434983 915037318 /nfs/dbraw/zinc/03/73/18/915037318.db2.gz ZBQMZYVGEUWVBS-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506434983 915037332 /nfs/dbraw/zinc/03/73/32/915037332.db2.gz ZBQMZYVGEUWVBS-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474780 915074673 /nfs/dbraw/zinc/07/46/73/915074673.db2.gz POWCYSJCGABJFL-MOPGFXCFSA-N 1 1 412.534 4.379 20 5 HIBDMO COc1ccccc1O[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000513395868 921766157 /nfs/dbraw/zinc/76/61/57/921766157.db2.gz AYMSDTJDSLRNKR-IBGZPJMESA-N 1 1 423.469 4.344 20 5 HIBDMO COc1ccccc1O[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513411187 921779661 /nfs/dbraw/zinc/77/96/61/921779661.db2.gz KRIQYPNAEMQRNS-YJBOKZPZSA-N 1 1 424.457 4.258 20 5 HIBDMO COc1ccccc1O[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513411187 921779680 /nfs/dbraw/zinc/77/96/80/921779680.db2.gz KRIQYPNAEMQRNS-YJBOKZPZSA-N 1 1 424.457 4.258 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507250369 916012082 /nfs/dbraw/zinc/01/20/82/916012082.db2.gz DNHFFKXKTJIOQC-AWEZNQCLSA-N 1 1 411.437 4.421 20 5 HIBDMO C[N@@H+](CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000507476335 916246548 /nfs/dbraw/zinc/24/65/48/916246548.db2.gz FOGNAJULFJPVIS-UHFFFAOYSA-N 1 1 418.497 4.069 20 5 HIBDMO O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+](CCc2cccs2)CC1 ZINC000508007663 916847582 /nfs/dbraw/zinc/84/75/82/916847582.db2.gz GKDWWLBNDPREDW-UHFFFAOYSA-N 1 1 401.535 4.450 20 5 HIBDMO CCc1nc(C[NH+]2CCC(CNc3cc(OC)c([N+](=O)[O-])cc3F)CC2)cs1 ZINC000508230432 917048390 /nfs/dbraw/zinc/04/83/90/917048390.db2.gz JOVVKMNNUBRVPE-UHFFFAOYSA-N 1 1 408.499 4.086 20 5 HIBDMO C[N@@H+](CCc1cnccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000508656294 917421473 /nfs/dbraw/zinc/42/14/73/917421473.db2.gz MNIMWBWHIRGVSK-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO CCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000509186520 917894926 /nfs/dbraw/zinc/89/49/26/917894926.db2.gz RDSSFNBXKORUHY-LJQANCHMSA-N 1 1 411.502 4.120 20 5 HIBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000509232533 917928359 /nfs/dbraw/zinc/92/83/59/917928359.db2.gz DDBVKMBHNMCBMY-UHFFFAOYSA-N 1 1 400.460 4.426 20 5 HIBDMO C[C@H](NC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000509760713 918375186 /nfs/dbraw/zinc/37/51/86/918375186.db2.gz HGEQYOULUCZPEA-CMKODMSKSA-N 1 1 410.518 4.256 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000510086074 918652067 /nfs/dbraw/zinc/65/20/67/918652067.db2.gz OQBWTKWAUFPSEQ-WBVHZDCISA-N 1 1 401.894 4.279 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000510114813 918676046 /nfs/dbraw/zinc/67/60/46/918676046.db2.gz AEHSJZVASXNYLK-WMZOPIPTSA-N 1 1 415.921 4.208 20 5 HIBDMO COc1cc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000510456722 918911998 /nfs/dbraw/zinc/91/19/98/918911998.db2.gz PDXSASBQCJIAPX-HNNXBMFYSA-N 1 1 418.400 4.002 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000510456722 918912007 /nfs/dbraw/zinc/91/20/07/918912007.db2.gz PDXSASBQCJIAPX-HNNXBMFYSA-N 1 1 418.400 4.002 20 5 HIBDMO O=C(C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000511071574 919672763 /nfs/dbraw/zinc/67/27/63/919672763.db2.gz GMPNDDLEZFYPRJ-JOCHJYFZSA-N 1 1 415.440 4.046 20 5 HIBDMO COc1ccc(-c2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)c(OC)c1 ZINC000511076465 919677806 /nfs/dbraw/zinc/67/78/06/919677806.db2.gz XBIUSYMBACZTJK-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO COc1ccc(-c2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)c(OC)c1 ZINC000511076465 919677819 /nfs/dbraw/zinc/67/78/19/919677819.db2.gz XBIUSYMBACZTJK-UHFFFAOYSA-N 1 1 413.499 4.410 20 5 HIBDMO O=C(C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000511082035 919683912 /nfs/dbraw/zinc/68/39/12/919683912.db2.gz QJMGWYQVKJBMIS-JOCHJYFZSA-N 1 1 415.440 4.046 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511233768 919838399 /nfs/dbraw/zinc/83/83/99/919838399.db2.gz MYQPRZAJKYBAMC-MJGOQNOKSA-N 1 1 402.539 4.168 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511560172 920200180 /nfs/dbraw/zinc/20/01/80/920200180.db2.gz DQYBIDZGSWDMOI-IBGZPJMESA-N 1 1 423.307 4.142 20 5 HIBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000511713343 920379238 /nfs/dbraw/zinc/37/92/38/920379238.db2.gz OKMFTZJEHJAYTA-LJQANCHMSA-N 1 1 413.543 4.347 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512230518 920984711 /nfs/dbraw/zinc/98/47/11/920984711.db2.gz SPASTRQJGMSVMV-INIZCTEOSA-N 1 1 408.380 4.010 20 5 HIBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513502633 921852643 /nfs/dbraw/zinc/85/26/43/921852643.db2.gz CCXBPPWLHNIOJO-IBGZPJMESA-N 1 1 400.475 4.041 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc5n4CCC5)C3)s2)cc1 ZINC000513682560 922003004 /nfs/dbraw/zinc/00/30/04/922003004.db2.gz ANGDUERQVWIWQG-INIZCTEOSA-N 1 1 409.515 4.241 20 5 HIBDMO COC1CC[NH+](C2(CNCc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCCC2)CC1 ZINC000518286996 927146377 /nfs/dbraw/zinc/14/63/77/927146377.db2.gz VSAIMFIUTBIQIW-UHFFFAOYSA-N 1 1 413.518 4.368 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518358641 927219216 /nfs/dbraw/zinc/21/92/16/927219216.db2.gz CGBYUNCHXPPTJJ-MRXNPFEDSA-N 1 1 403.866 4.255 20 5 HIBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518710983 927449337 /nfs/dbraw/zinc/44/93/37/927449337.db2.gz LXYBCWYNIMUOBC-AWEZNQCLSA-N 1 1 415.877 4.255 20 5 HIBDMO COc1cc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c([N+](=O)[O-])cc1OC ZINC000519615542 928028503 /nfs/dbraw/zinc/02/85/03/928028503.db2.gz SONYKJFVLVXJQD-UHFFFAOYSA-N 1 1 415.421 4.272 20 5 HIBDMO CC[N@H+]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000520312178 928473777 /nfs/dbraw/zinc/47/37/77/928473777.db2.gz OHDRADZUQCULHN-UHFFFAOYSA-N 1 1 403.866 4.208 20 5 HIBDMO CC1(C)C[N@H+](C2(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCCCC2)CCO1 ZINC000520895673 928864540 /nfs/dbraw/zinc/86/45/40/928864540.db2.gz QGFLHIIVYBGCDT-UHFFFAOYSA-N 1 1 424.929 4.183 20 5 HIBDMO CCC[NH+]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000521389735 929202156 /nfs/dbraw/zinc/20/21/56/929202156.db2.gz GHGOOTLWRYGKOQ-UHFFFAOYSA-N 1 1 416.909 4.028 20 5 HIBDMO COc1ccc(CNCC[NH+]2CCCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521819095 929476483 /nfs/dbraw/zinc/47/64/83/929476483.db2.gz OSHZERIKZDDWAP-UHFFFAOYSA-N 1 1 413.518 4.148 20 5 HIBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000521872364 929521559 /nfs/dbraw/zinc/52/15/59/929521559.db2.gz ZGLLADSJLZDHKQ-AWEZNQCLSA-N 1 1 417.918 4.366 20 5 HIBDMO C[C@H]([NH2+][C@@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000524888065 929874249 /nfs/dbraw/zinc/87/42/49/929874249.db2.gz HIPPOXUNUMQYCY-AVRDEDQJSA-N 1 1 419.481 4.470 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525271933 930123219 /nfs/dbraw/zinc/12/32/19/930123219.db2.gz VPQIXCVZLCZLPU-INIZCTEOSA-N 1 1 422.428 4.244 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354443 930192774 /nfs/dbraw/zinc/19/27/74/930192774.db2.gz JJUQNHCPMRFSNI-RXVVDRJESA-N 1 1 410.518 4.052 20 5 HIBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525537576 930310505 /nfs/dbraw/zinc/31/05/05/930310505.db2.gz USDMIQCWXWIPEK-RDTXWAMCSA-N 1 1 417.893 4.453 20 5 HIBDMO COc1cc(CN[C@H]2CCCc3c[nH]nc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531699130 931163043 /nfs/dbraw/zinc/16/30/43/931163043.db2.gz SRTJIRGXICSVAE-IBGZPJMESA-N 1 1 408.458 4.073 20 5 HIBDMO COc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531699130 931163050 /nfs/dbraw/zinc/16/30/50/931163050.db2.gz SRTJIRGXICSVAE-IBGZPJMESA-N 1 1 408.458 4.073 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000532208432 931351746 /nfs/dbraw/zinc/35/17/46/931351746.db2.gz XBVARNSHAJAHHU-NRFANRHFSA-N 1 1 414.469 4.338 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c2c(c1)COCO2 ZINC000532275708 931380726 /nfs/dbraw/zinc/38/07/26/931380726.db2.gz MWWBUKJPHSISIN-CQSZACIVSA-N 1 1 415.515 4.176 20 5 HIBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(C)cc1 ZINC000532490327 931458759 /nfs/dbraw/zinc/45/87/59/931458759.db2.gz JGRPLQKCCNFUMP-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(C)cc1 ZINC000532490327 931458769 /nfs/dbraw/zinc/45/87/69/931458769.db2.gz JGRPLQKCCNFUMP-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1OC ZINC000532490177 931459258 /nfs/dbraw/zinc/45/92/58/931459258.db2.gz GDEHCMBNQGGMJQ-HNNXBMFYSA-N 1 1 401.463 4.024 20 5 HIBDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1OC ZINC000532490177 931459262 /nfs/dbraw/zinc/45/92/62/931459262.db2.gz GDEHCMBNQGGMJQ-HNNXBMFYSA-N 1 1 401.463 4.024 20 5 HIBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000532558161 931522216 /nfs/dbraw/zinc/52/22/16/931522216.db2.gz IXUQCQYDDFCHHP-UHFFFAOYSA-N 1 1 422.485 4.016 20 5 HIBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000532689013 931585970 /nfs/dbraw/zinc/58/59/70/931585970.db2.gz FHPICMNDQDXYRU-INIZCTEOSA-N 1 1 412.421 4.042 20 5 HIBDMO CN(C(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532824376 931642119 /nfs/dbraw/zinc/64/21/19/931642119.db2.gz ATFROWPMEZRRQP-INIZCTEOSA-N 1 1 417.893 4.002 20 5 HIBDMO CN(C(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532824376 931642126 /nfs/dbraw/zinc/64/21/26/931642126.db2.gz ATFROWPMEZRRQP-INIZCTEOSA-N 1 1 417.893 4.002 20 5 HIBDMO C[NH+](C)CC(=O)Nc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000532892249 931682346 /nfs/dbraw/zinc/68/23/46/931682346.db2.gz PKVUHNMHOOJMOH-UHFFFAOYSA-N 1 1 410.499 4.436 20 5 HIBDMO COc1cc(C)c(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000533222459 931813660 /nfs/dbraw/zinc/81/36/60/931813660.db2.gz FSINBTYXPVIYCN-UHFFFAOYSA-N 1 1 411.458 4.250 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CCc3cccc(Br)c3C2)cccc1[N+](=O)[O-] ZINC000533345952 931843783 /nfs/dbraw/zinc/84/37/83/931843783.db2.gz IUTIQHNRDGVZJV-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCc3cccc(Br)c3C2)cccc1[N+](=O)[O-] ZINC000533345952 931843785 /nfs/dbraw/zinc/84/37/85/931843785.db2.gz IUTIQHNRDGVZJV-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000533421052 931863548 /nfs/dbraw/zinc/86/35/48/931863548.db2.gz KJQOBKANYYHQTB-KRWDZBQOSA-N 1 1 421.501 4.302 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000533434632 931867926 /nfs/dbraw/zinc/86/79/26/931867926.db2.gz ZFNLNGCAKMFNNO-QGZVFWFLSA-N 1 1 422.485 4.430 20 5 HIBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000533440403 931869925 /nfs/dbraw/zinc/86/99/25/931869925.db2.gz SGDAWNFFFANKJP-OAHLLOKOSA-N 1 1 403.866 4.075 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484322 931880920 /nfs/dbraw/zinc/88/09/20/931880920.db2.gz HBPIGMGQFQRBPJ-RXVVDRJESA-N 1 1 424.545 4.217 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000533956594 932131057 /nfs/dbraw/zinc/13/10/57/932131057.db2.gz OGZPWVWGSNUTAK-QGZVFWFLSA-N 1 1 403.866 4.039 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC=C(c4c[nH]c5ncccc45)CC3)co2)cc1 ZINC000534107702 932281663 /nfs/dbraw/zinc/28/16/63/932281663.db2.gz PVOHBHVBUOJKNL-UHFFFAOYSA-N 1 1 401.426 4.415 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC=C(c4c[nH]c5ncccc45)CC3)co2)cc1 ZINC000534107702 932281680 /nfs/dbraw/zinc/28/16/80/932281680.db2.gz PVOHBHVBUOJKNL-UHFFFAOYSA-N 1 1 401.426 4.415 20 5 HIBDMO C[N@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534227487 932347172 /nfs/dbraw/zinc/34/71/72/932347172.db2.gz XRESXTGYCRBASJ-KKSFZXQISA-N 1 1 419.884 4.129 20 5 HIBDMO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@@H](CO)c3cnn(C)c3)cc2[N+](=O)[O-])c1 ZINC000534514827 932540453 /nfs/dbraw/zinc/54/04/53/932540453.db2.gz NFHVXTBOFJPWIN-FQEVSTJZSA-N 1 1 424.501 4.376 20 5 HIBDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000535080329 932898911 /nfs/dbraw/zinc/89/89/11/932898911.db2.gz TYOGVVYXFZNUHF-NRFANRHFSA-N 1 1 406.486 4.211 20 5 HIBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535206689 933014420 /nfs/dbraw/zinc/01/44/20/933014420.db2.gz OPHCKNNHGVDARM-LJQANCHMSA-N 1 1 421.501 4.055 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000535293695 933055655 /nfs/dbraw/zinc/05/56/55/933055655.db2.gz KIPMEYPNUXWITM-UHFFFAOYSA-N 1 1 412.490 4.079 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1Cc1ccccc1 ZINC000535397831 933114482 /nfs/dbraw/zinc/11/44/82/933114482.db2.gz PEHXEVHVZMVUOE-PXNSSMCTSA-N 1 1 420.513 4.130 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](C/C=C\c4ccccc4)CC3)co2)cc1 ZINC000535569186 933246243 /nfs/dbraw/zinc/24/62/43/933246243.db2.gz IVMZYDGHDAXBRU-DAXSKMNVSA-N 1 1 404.470 4.081 20 5 HIBDMO COC(=O)[C@@H](C)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000535570081 933246563 /nfs/dbraw/zinc/24/65/63/933246563.db2.gz NXBLXDFTPZDCSB-INIZCTEOSA-N 1 1 409.442 4.061 20 5 HIBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000535570081 933246567 /nfs/dbraw/zinc/24/65/67/933246567.db2.gz NXBLXDFTPZDCSB-INIZCTEOSA-N 1 1 409.442 4.061 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000535577478 933251927 /nfs/dbraw/zinc/25/19/27/933251927.db2.gz XWVAZDLAVSHZJV-CTNGQTDRSA-N 1 1 416.909 4.002 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000535577478 933251938 /nfs/dbraw/zinc/25/19/38/933251938.db2.gz XWVAZDLAVSHZJV-CTNGQTDRSA-N 1 1 416.909 4.002 20 5 HIBDMO COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000535584868 933255556 /nfs/dbraw/zinc/25/55/56/933255556.db2.gz UTDSLBJXCCQLFF-QGZVFWFLSA-N 1 1 407.470 4.125 20 5 HIBDMO CC(C)(C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000535670405 933317100 /nfs/dbraw/zinc/31/71/00/933317100.db2.gz RVADULVPKQWYSL-UHFFFAOYSA-N 1 1 421.541 4.387 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000537632710 938341228 /nfs/dbraw/zinc/34/12/28/938341228.db2.gz MOKAVNGUNOUWQO-MJGOQNOKSA-N 1 1 408.545 4.111 20 5 HIBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000537632710 938341230 /nfs/dbraw/zinc/34/12/30/938341230.db2.gz MOKAVNGUNOUWQO-MJGOQNOKSA-N 1 1 408.545 4.111 20 5 HIBDMO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000537634701 938341947 /nfs/dbraw/zinc/34/19/47/938341947.db2.gz QZPJUBSNQAQXDS-OAHLLOKOSA-N 1 1 420.897 4.127 20 5 HIBDMO CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000537634701 938341950 /nfs/dbraw/zinc/34/19/50/938341950.db2.gz QZPJUBSNQAQXDS-OAHLLOKOSA-N 1 1 420.897 4.127 20 5 HIBDMO COc1cc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000538130013 938513809 /nfs/dbraw/zinc/51/38/09/938513809.db2.gz PHRBIAZPMPGXNY-LLVKDONJSA-N 1 1 409.389 4.014 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000538271561 938580293 /nfs/dbraw/zinc/58/02/93/938580293.db2.gz RIOGMERRHOXTNZ-WMZOPIPTSA-N 1 1 413.543 4.488 20 5 HIBDMO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538451860 938625857 /nfs/dbraw/zinc/62/58/57/938625857.db2.gz AKFOPZCBKLMGOQ-UHFFFAOYSA-N 1 1 414.437 4.121 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCOCC23CCC3)cc1 ZINC000538728278 938693994 /nfs/dbraw/zinc/69/39/94/938693994.db2.gz JZHIJALIUGLBMV-UHFFFAOYSA-N 1 1 404.470 4.202 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCOCC23CCC3)cc1 ZINC000538728278 938693997 /nfs/dbraw/zinc/69/39/97/938693997.db2.gz JZHIJALIUGLBMV-UHFFFAOYSA-N 1 1 404.470 4.202 20 5 HIBDMO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538730852 938695098 /nfs/dbraw/zinc/69/50/98/938695098.db2.gz VUKLLBVNUHCHHO-KRWDZBQOSA-N 1 1 405.445 4.150 20 5 HIBDMO COc1ccc(-c2ccc(C[NH+]3CCN([C@@H](C)c4cccnc4)CC3)o2)c([N+](=O)[O-])c1 ZINC000538732314 938696015 /nfs/dbraw/zinc/69/60/15/938696015.db2.gz BWHZWDDUVULMHJ-KRWDZBQOSA-N 1 1 422.485 4.137 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000539253565 938827211 /nfs/dbraw/zinc/82/72/11/938827211.db2.gz UWDLFSXJRUUCTM-KGLIPLIRSA-N 1 1 421.457 4.405 20 5 HIBDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O ZINC000539360018 938848178 /nfs/dbraw/zinc/84/81/78/938848178.db2.gz MVPWBUKQZMCNHX-DJJJIMSYSA-N 1 1 422.441 4.210 20 5 HIBDMO CCC[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000539424057 938858439 /nfs/dbraw/zinc/85/84/39/938858439.db2.gz LRQOWCORPSIUCV-OAQYLSRUSA-N 1 1 421.501 4.131 20 5 HIBDMO Cc1nsc(N2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)n1 ZINC000539821696 938945303 /nfs/dbraw/zinc/94/53/03/938945303.db2.gz KDRAGFHBGISVRM-UHFFFAOYSA-N 1 1 415.544 4.196 20 5 HIBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)c2)CCO1 ZINC000539969823 938982604 /nfs/dbraw/zinc/98/26/04/938982604.db2.gz APVYBIOGWJHCPD-AWEZNQCLSA-N 1 1 407.417 4.029 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)c2)CCO1 ZINC000539969823 938982606 /nfs/dbraw/zinc/98/26/06/938982606.db2.gz APVYBIOGWJHCPD-AWEZNQCLSA-N 1 1 407.417 4.029 20 5 HIBDMO CC[N@@H+](CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)CC1CC1 ZINC000540050792 939050745 /nfs/dbraw/zinc/05/07/45/939050745.db2.gz YSTYSTSPBIRDPA-UHFFFAOYSA-N 1 1 422.957 4.021 20 5 HIBDMO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000540053439 939051234 /nfs/dbraw/zinc/05/12/34/939051234.db2.gz BPCRIUOWBSQGAE-MRXNPFEDSA-N 1 1 421.501 4.171 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000540354132 939204862 /nfs/dbraw/zinc/20/48/62/939204862.db2.gz MFBBZOAZFGGHEA-MRXNPFEDSA-N 1 1 423.469 4.437 20 5 HIBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000540376975 939217165 /nfs/dbraw/zinc/21/71/65/939217165.db2.gz UYXXJAJYMGDGHL-LLVKDONJSA-N 1 1 403.287 4.026 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540801461 939377367 /nfs/dbraw/zinc/37/73/67/939377367.db2.gz YVSNDRPZFLFGGJ-CTNGQTDRSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540801461 939377370 /nfs/dbraw/zinc/37/73/70/939377370.db2.gz YVSNDRPZFLFGGJ-CTNGQTDRSA-N 1 1 419.884 4.270 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)nc2c1 ZINC000540863378 939401553 /nfs/dbraw/zinc/40/15/53/939401553.db2.gz OYCJAWLEQVPMAH-OAHLLOKOSA-N 1 1 410.478 4.281 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)nc2c1 ZINC000540863378 939401557 /nfs/dbraw/zinc/40/15/57/939401557.db2.gz OYCJAWLEQVPMAH-OAHLLOKOSA-N 1 1 410.478 4.281 20 5 HIBDMO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541270944 939488623 /nfs/dbraw/zinc/48/86/23/939488623.db2.gz YTRSXHUWVNXIRP-KBPBESRZSA-N 1 1 411.955 4.110 20 5 HIBDMO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541270946 939488633 /nfs/dbraw/zinc/48/86/33/939488633.db2.gz YTRSXHUWVNXIRP-UONOGXRCSA-N 1 1 411.955 4.110 20 5 HIBDMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000541297374 939489898 /nfs/dbraw/zinc/48/98/98/939489898.db2.gz CHJCGLSJQUMTIE-UHFFFAOYSA-N 1 1 408.285 4.296 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000541565984 939556528 /nfs/dbraw/zinc/55/65/28/939556528.db2.gz GKRDJDYRWAKBHY-INIZCTEOSA-N 1 1 407.264 4.369 20 5 HIBDMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000541629770 939575733 /nfs/dbraw/zinc/57/57/33/939575733.db2.gz YUWZIBFNKDAIIS-IQUTYRLHSA-N 1 1 405.495 4.098 20 5 HIBDMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000541629771 939576070 /nfs/dbraw/zinc/57/60/70/939576070.db2.gz YUWZIBFNKDAIIS-KSMMKXTCSA-N 1 1 405.495 4.098 20 5 HIBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[N@H+]1C1CC1 ZINC000541724943 939614773 /nfs/dbraw/zinc/61/47/73/939614773.db2.gz NPPQTVGDOMZHTI-HOCLYGCPSA-N 1 1 403.548 4.232 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000541773629 939626872 /nfs/dbraw/zinc/62/68/72/939626872.db2.gz FWXVCMWGNAOGGB-INIZCTEOSA-N 1 1 400.454 4.076 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000542195050 939752492 /nfs/dbraw/zinc/75/24/92/939752492.db2.gz QXPLNBXIEJIFKH-LJQANCHMSA-N 1 1 413.543 4.058 20 5 HIBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000542252809 939772939 /nfs/dbraw/zinc/77/29/39/939772939.db2.gz HDQOZVJVCMWRFD-LLVKDONJSA-N 1 1 403.287 4.026 20 5 HIBDMO CCc1ccc([C@H]([NH2+]CCC(=O)NCc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475744 939829529 /nfs/dbraw/zinc/82/95/29/939829529.db2.gz GVNBOYQZSWJVKX-HSZRJFAPSA-N 1 1 407.470 4.136 20 5 HIBDMO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542510626 939834790 /nfs/dbraw/zinc/83/47/90/939834790.db2.gz MAALXQQSRGDWLZ-ZIFCJYIRSA-N 1 1 413.493 4.349 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542633916 939850553 /nfs/dbraw/zinc/85/05/53/939850553.db2.gz ULLXFAPYZDLZNO-RXVVDRJESA-N 1 1 415.465 4.223 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000542714985 939856177 /nfs/dbraw/zinc/85/61/77/939856177.db2.gz GJFAQXOJNRQSEG-JOCHJYFZSA-N 1 1 412.465 4.254 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000542915968 939876975 /nfs/dbraw/zinc/87/69/75/939876975.db2.gz UCFOJNIYQUAYSY-JKSUJKDBSA-N 1 1 402.495 4.131 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000542915965 939877032 /nfs/dbraw/zinc/87/70/32/939877032.db2.gz UCFOJNIYQUAYSY-HOTGVXAUSA-N 1 1 402.495 4.131 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)co2)cc1 ZINC000542986033 939891507 /nfs/dbraw/zinc/89/15/07/939891507.db2.gz HVVITOCRRHTSGY-MRXNPFEDSA-N 1 1 421.379 4.302 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)co2)cc1 ZINC000542986033 939891509 /nfs/dbraw/zinc/89/15/09/939891509.db2.gz HVVITOCRRHTSGY-MRXNPFEDSA-N 1 1 421.379 4.302 20 5 HIBDMO CN(C(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000543052943 939911005 /nfs/dbraw/zinc/91/10/05/939911005.db2.gz RKRGDNCSABBXJZ-OAQYLSRUSA-N 1 1 424.888 4.180 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000543130654 939962370 /nfs/dbraw/zinc/96/23/70/939962370.db2.gz SHBKNBBUGQBSGP-UHFFFAOYSA-N 1 1 406.533 4.182 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000543130654 939962374 /nfs/dbraw/zinc/96/23/74/939962374.db2.gz SHBKNBBUGQBSGP-UHFFFAOYSA-N 1 1 406.533 4.182 20 5 HIBDMO C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543537566 940098070 /nfs/dbraw/zinc/09/80/70/940098070.db2.gz AZGAEARMLFAUGM-IRXDYDNUSA-N 1 1 413.493 4.386 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000543644415 940147625 /nfs/dbraw/zinc/14/76/25/940147625.db2.gz JZADDGWDSDFIPW-DYESRHJHSA-N 1 1 412.465 4.252 20 5 HIBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000543856349 940211860 /nfs/dbraw/zinc/21/18/60/940211860.db2.gz FYHLSRMBSOZYDM-UHFFFAOYSA-N 1 1 401.894 4.085 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543980625 940282470 /nfs/dbraw/zinc/28/24/70/940282470.db2.gz JRUOKWKJANWFAR-OAQYLSRUSA-N 1 1 424.888 4.464 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544364773 940402623 /nfs/dbraw/zinc/40/26/23/940402623.db2.gz XWWHBFKEKOIOFZ-DEOSSOPVSA-N 1 1 420.513 4.489 20 5 HIBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)c21 ZINC000544394720 940410939 /nfs/dbraw/zinc/41/09/39/940410939.db2.gz RAMSRVBISQCEHK-AZUAARDMSA-N 1 1 403.486 4.029 20 5 HIBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000544560641 940479140 /nfs/dbraw/zinc/47/91/40/940479140.db2.gz IHJWVTCTPREOIB-GOSISDBHSA-N 1 1 403.548 4.186 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000544608185 940489592 /nfs/dbraw/zinc/48/95/92/940489592.db2.gz MCHAUUVCKKSAEE-HNNXBMFYSA-N 1 1 419.407 4.344 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc([C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000545523219 940573085 /nfs/dbraw/zinc/57/30/85/940573085.db2.gz GHGKQCDABATMHN-LJQANCHMSA-N 1 1 418.375 4.351 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000546645406 940864711 /nfs/dbraw/zinc/86/47/11/940864711.db2.gz IYCOTLTXAFDTPZ-AWEZNQCLSA-N 1 1 419.934 4.471 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000548934186 941130498 /nfs/dbraw/zinc/13/04/98/941130498.db2.gz ULVRXGWEGWCBPO-KANFNMMFSA-N 1 1 409.486 4.341 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000549939075 941243632 /nfs/dbraw/zinc/24/36/32/941243632.db2.gz VBBYQOOBPPNJGT-UHFFFAOYSA-N 1 1 412.383 4.322 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549942196 941243925 /nfs/dbraw/zinc/24/39/25/941243925.db2.gz RAWVJFVSSBICFB-UKRRQHHQSA-N 1 1 407.392 4.179 20 5 HIBDMO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@](C)(C(F)(F)F)O1 ZINC000550252337 941303682 /nfs/dbraw/zinc/30/36/82/941303682.db2.gz WYEIVIDOELXRKV-GOSISDBHSA-N 1 1 413.396 4.224 20 5 HIBDMO CC1(C)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@](C)(C(F)(F)F)O1 ZINC000550252337 941303685 /nfs/dbraw/zinc/30/36/85/941303685.db2.gz WYEIVIDOELXRKV-GOSISDBHSA-N 1 1 413.396 4.224 20 5 HIBDMO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000551600040 941509574 /nfs/dbraw/zinc/50/95/74/941509574.db2.gz QXRYFKIAHLMIDO-OAHLLOKOSA-N 1 1 421.419 4.350 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)s1 ZINC000552134712 941591042 /nfs/dbraw/zinc/59/10/42/941591042.db2.gz VCJLPBGCRIGKMA-INIZCTEOSA-N 1 1 424.526 4.107 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC000552134243 941591352 /nfs/dbraw/zinc/59/13/52/941591352.db2.gz BYTKFRRANUPIQN-CQSZACIVSA-N 1 1 407.923 4.212 20 5 HIBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000553212733 941850142 /nfs/dbraw/zinc/85/01/42/941850142.db2.gz UUFRISVLILUHBF-SFHVURJKSA-N 1 1 405.410 4.195 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000553261875 941858170 /nfs/dbraw/zinc/85/81/70/941858170.db2.gz WTNVEPZEUJDUKK-UHFFFAOYSA-N 1 1 410.257 4.128 20 5 HIBDMO COc1cc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000554283127 942090010 /nfs/dbraw/zinc/09/00/10/942090010.db2.gz KJFNPDFLHPIQJZ-CQSZACIVSA-N 1 1 416.808 4.072 20 5 HIBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OCC(F)F ZINC000554718462 942209648 /nfs/dbraw/zinc/20/96/48/942209648.db2.gz TZTSRVVNIUOMTE-UHFFFAOYSA-N 1 1 416.808 4.199 20 5 HIBDMO C[C@@H](c1cccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1)[NH+]1CCOCC1 ZINC000556277587 942830919 /nfs/dbraw/zinc/83/09/19/942830919.db2.gz FTQJWBPWVSJCEG-INIZCTEOSA-N 1 1 408.458 4.255 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412427 943552893 /nfs/dbraw/zinc/55/28/93/943552893.db2.gz ZHPKAAXOPXTYJI-FUHWJXTLSA-N 1 1 423.435 4.355 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412427 943552895 /nfs/dbraw/zinc/55/28/95/943552895.db2.gz ZHPKAAXOPXTYJI-FUHWJXTLSA-N 1 1 423.435 4.355 20 5 HIBDMO C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558489381 943573874 /nfs/dbraw/zinc/57/38/74/943573874.db2.gz ZDXUHRKOJNAAOC-MGPUTAFESA-N 1 1 420.469 4.390 20 5 HIBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000559491588 943980075 /nfs/dbraw/zinc/98/00/75/943980075.db2.gz KTRXYBWQPLPQET-UHFFFAOYSA-N 1 1 409.530 4.243 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559824165 944061481 /nfs/dbraw/zinc/06/14/81/944061481.db2.gz HRNQFGRTRQMZSB-HUUCEWRRSA-N 1 1 413.440 4.340 20 5 HIBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764378 944786507 /nfs/dbraw/zinc/78/65/07/944786507.db2.gz JEODSCWPBROCLU-IXFSTUDKSA-N 1 1 422.529 4.009 20 5 HIBDMO O=[N+]([O-])c1ccccc1Cc1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000564684918 945728855 /nfs/dbraw/zinc/72/88/55/945728855.db2.gz MSUZMPIHHFVARM-AUSIDOKSSA-N 1 1 404.470 4.122 20 5 HIBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)F ZINC000567436379 946340785 /nfs/dbraw/zinc/34/07/85/946340785.db2.gz YYPRMTIZANAYJI-IRXDYDNUSA-N 1 1 403.429 4.155 20 5 HIBDMO COc1cc(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)c([N+](=O)[O-])cc1O ZINC000570231716 947155533 /nfs/dbraw/zinc/15/55/33/947155533.db2.gz UWEVZYAVOKIQQU-UHFFFAOYSA-N 1 1 405.863 4.376 20 5 HIBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000571567723 947705688 /nfs/dbraw/zinc/70/56/88/947705688.db2.gz ZIRXVZSCIXUJDL-CQSZACIVSA-N 1 1 405.882 4.389 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1 ZINC000571648233 947736848 /nfs/dbraw/zinc/73/68/48/947736848.db2.gz HUSAZWGJLCWIBS-UHFFFAOYSA-N 1 1 417.391 4.359 20 5 HIBDMO C[N@@H+](Cc1ccccc1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000573751815 948289199 /nfs/dbraw/zinc/28/91/99/948289199.db2.gz JBSPGUUDFYFZKJ-OAQYLSRUSA-N 1 1 413.518 4.211 20 5 HIBDMO COc1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000574846384 948542599 /nfs/dbraw/zinc/54/25/99/948542599.db2.gz OUESBJVEMRIDAD-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO COc1cc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000574846384 948542605 /nfs/dbraw/zinc/54/26/05/948542605.db2.gz OUESBJVEMRIDAD-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000575769709 948698447 /nfs/dbraw/zinc/69/84/47/948698447.db2.gz JMQNDPHKQQTOGY-AAIMPIBUSA-N 1 1 419.529 4.060 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629157 719067827 /nfs/dbraw/zinc/06/78/27/719067827.db2.gz WDDAILJYIXZUMD-PBHICJAKSA-N 1 1 407.301 4.397 20 5 HIBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164622871 719071028 /nfs/dbraw/zinc/07/10/28/719071028.db2.gz JDTQNUOPAJUXBS-YJBOKZPZSA-N 1 1 422.863 4.289 20 5 HIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629282 719113125 /nfs/dbraw/zinc/11/31/25/719113125.db2.gz RROKHARORBDKHE-OXQOHEQNSA-N 1 1 423.904 4.292 20 5 HIBDMO O=[N+]([O-])c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c2ccccc21 ZINC001164695691 719891439 /nfs/dbraw/zinc/89/14/39/719891439.db2.gz RDAIYIXZQUMJJY-UHFFFAOYSA-N 1 1 424.526 4.076 20 5 HIBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722516 720373217 /nfs/dbraw/zinc/37/32/17/720373217.db2.gz DBPXKONELMSZKZ-ZWKOTPCHSA-N 1 1 409.877 4.045 20 5 HIBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)ccc21 ZINC001164722521 720397089 /nfs/dbraw/zinc/39/70/89/720397089.db2.gz DDIFCVWQTLNANX-MOPGFXCFSA-N 1 1 409.877 4.045 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3ccc4cccnc4c3n1)[C@@H]2C ZINC001164859327 720940627 /nfs/dbraw/zinc/94/06/27/720940627.db2.gz MQWXXKDBJKXQJZ-QGZVFWFLSA-N 1 1 400.530 4.401 20 5 HIBDMO O=[N+]([O-])c1cccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ccc21 ZINC001164953748 722016994 /nfs/dbraw/zinc/01/69/94/722016994.db2.gz XXHVDHQDFHDGTF-UHFFFAOYSA-N 1 1 403.486 4.031 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000008319921 845513217 /nfs/dbraw/zinc/51/32/17/845513217.db2.gz KRPIYDOKXHWQPZ-INIZCTEOSA-N 1 1 405.454 4.310 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1F ZINC000014042596 845919635 /nfs/dbraw/zinc/91/96/35/845919635.db2.gz IRPIMCLDPMPKJZ-LLVKDONJSA-N 1 1 418.425 4.286 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(CCc4ccc(O)cc4)CC3)n2)c1 ZINC000025937502 847060367 /nfs/dbraw/zinc/06/03/67/847060367.db2.gz ZFWUVSICNVIXAI-UHFFFAOYSA-N 1 1 408.458 4.195 20 5 HIBDMO CC[N@@H+](CCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1)CC1CC1 ZINC000436408506 861759224 /nfs/dbraw/zinc/75/92/24/861759224.db2.gz HGLZAHTWILXOJE-UHFFFAOYSA-N 1 1 400.445 4.347 20 5 HIBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000027344160 847286712 /nfs/dbraw/zinc/28/67/12/847286712.db2.gz XLEGTESNFHTHAN-GOSISDBHSA-N 1 1 408.285 4.469 20 5 HIBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132241 849434346 /nfs/dbraw/zinc/43/43/46/849434346.db2.gz CURUIXZJRQGJKN-GHTZIAJQSA-N 1 1 408.458 4.245 20 5 HIBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133251 849435639 /nfs/dbraw/zinc/43/56/39/849435639.db2.gz RAZLPFVZWWUCQH-HRAATJIYSA-N 1 1 417.893 4.286 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000053111908 849667317 /nfs/dbraw/zinc/66/73/17/849667317.db2.gz UMQAZBBFRNAMLB-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000053111908 849667320 /nfs/dbraw/zinc/66/73/20/849667320.db2.gz UMQAZBBFRNAMLB-LBPRGKRZSA-N 1 1 411.380 4.081 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000437046559 862238805 /nfs/dbraw/zinc/23/88/05/862238805.db2.gz NPDBNQWSFHBNPW-KDOFPFPSSA-N 1 1 421.419 4.397 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000437046562 862239112 /nfs/dbraw/zinc/23/91/12/862239112.db2.gz NPDBNQWSFHBNPW-KSSFIOAISA-N 1 1 421.419 4.397 20 5 HIBDMO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000064317291 851869638 /nfs/dbraw/zinc/86/96/38/851869638.db2.gz JYXCHCWOWXOVJJ-OAHLLOKOSA-N 1 1 405.401 4.047 20 5 HIBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000064350155 851876716 /nfs/dbraw/zinc/87/67/16/851876716.db2.gz KGJUJPWLRGKZIT-GOSISDBHSA-N 1 1 423.307 4.008 20 5 HIBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1cc2ccccc2o1 ZINC000064349000 851876951 /nfs/dbraw/zinc/87/69/51/851876951.db2.gz CJFJFAKHQGVWLQ-ZDUSSCGKSA-N 1 1 411.414 4.091 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1cc2ccccc2o1 ZINC000064349000 851876954 /nfs/dbraw/zinc/87/69/54/851876954.db2.gz CJFJFAKHQGVWLQ-ZDUSSCGKSA-N 1 1 411.414 4.091 20 5 HIBDMO C[N@@H+](Cc1ccccc1CNC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000065876476 852297721 /nfs/dbraw/zinc/29/77/21/852297721.db2.gz OQJQNUGGYNKJRU-UHFFFAOYSA-N 1 1 410.518 4.088 20 5 HIBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)sc2C1 ZINC000097364646 852605612 /nfs/dbraw/zinc/60/56/12/852605612.db2.gz SHSPVZHMBWJESL-UHFFFAOYSA-N 1 1 424.482 4.474 20 5 HIBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)sc2C1 ZINC000097364646 852605617 /nfs/dbraw/zinc/60/56/17/852605617.db2.gz SHSPVZHMBWJESL-UHFFFAOYSA-N 1 1 424.482 4.474 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)C1 ZINC000107959624 852812320 /nfs/dbraw/zinc/81/23/20/852812320.db2.gz HBVYNTYHFVRLEY-QGZVFWFLSA-N 1 1 419.485 4.265 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccc1Br ZINC000109092332 852919976 /nfs/dbraw/zinc/91/99/76/852919976.db2.gz JZSOFXQFIRJQBI-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccccc1Br ZINC000109092332 852919985 /nfs/dbraw/zinc/91/99/85/852919985.db2.gz JZSOFXQFIRJQBI-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO CC[NH+](CC)[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000236897275 853934000 /nfs/dbraw/zinc/93/40/00/853934000.db2.gz PRCPVJVNZFIDMX-JOCHJYFZSA-N 1 1 407.518 4.168 20 5 HIBDMO CC[N@H+]1CCC[C@H](CNCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000236932981 853939542 /nfs/dbraw/zinc/93/95/42/853939542.db2.gz FPKPXMIQBYRKMF-LJQANCHMSA-N 1 1 413.518 4.004 20 5 HIBDMO COc1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC ZINC000237301148 854002034 /nfs/dbraw/zinc/00/20/34/854002034.db2.gz LMUAFNROGLLKQQ-UHFFFAOYSA-N 1 1 415.471 4.034 20 5 HIBDMO C[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1Cc1ccccc1 ZINC000237487045 854043197 /nfs/dbraw/zinc/04/31/97/854043197.db2.gz TXZMYTNWWQTPTO-VQIMIIECSA-N 1 1 408.527 4.471 20 5 HIBDMO C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000237487045 854043207 /nfs/dbraw/zinc/04/32/07/854043207.db2.gz TXZMYTNWWQTPTO-VQIMIIECSA-N 1 1 408.527 4.471 20 5 HIBDMO Cc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237895224 854115849 /nfs/dbraw/zinc/11/58/49/854115849.db2.gz RCZHPODRGWGUAB-JOCHJYFZSA-N 1 1 410.495 4.186 20 5 HIBDMO O=C(C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)NCc1ccco1 ZINC000237929405 854120871 /nfs/dbraw/zinc/12/08/71/854120871.db2.gz DIUAIJILTQWWTB-UHFFFAOYSA-N 1 1 415.833 4.040 20 5 HIBDMO CC(C)NC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301433488 854393530 /nfs/dbraw/zinc/39/35/30/854393530.db2.gz RCPQYYRUILTVLW-UZLBHIALSA-N 1 1 416.547 4.290 20 5 HIBDMO Cc1ccnc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000301665590 854441271 /nfs/dbraw/zinc/44/12/71/854441271.db2.gz LVWGHSHAQVMXJT-UHFFFAOYSA-N 1 1 405.296 4.137 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301936091 854497725 /nfs/dbraw/zinc/49/77/25/854497725.db2.gz PUMGMASZINKYNQ-AWEZNQCLSA-N 1 1 423.560 4.046 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000303745833 855168078 /nfs/dbraw/zinc/16/80/78/855168078.db2.gz JWMZBERHVRXDDS-UTKZUKDTSA-N 1 1 422.529 4.294 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303809748 855213846 /nfs/dbraw/zinc/21/38/46/855213846.db2.gz YQDTWBFSXKQEMJ-WBVHZDCISA-N 1 1 401.894 4.373 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995116 856036995 /nfs/dbraw/zinc/03/69/95/856036995.db2.gz KBBXCZJZUWUIGF-XLIONFOSSA-N 1 1 408.502 4.104 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426264789 856209350 /nfs/dbraw/zinc/20/93/50/856209350.db2.gz SBTJGLHQWWKBAM-UHFFFAOYSA-N 1 1 410.518 4.309 20 5 HIBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000426551562 856344689 /nfs/dbraw/zinc/34/46/89/856344689.db2.gz ZNHVVRFDCFFMCW-MRXNPFEDSA-N 1 1 401.532 4.008 20 5 HIBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000428471724 857212405 /nfs/dbraw/zinc/21/24/05/857212405.db2.gz YQXUSDDREGTRGN-QHCPKHFHSA-N 1 1 414.502 4.167 20 5 HIBDMO CC[C@@H](NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000428889621 857393384 /nfs/dbraw/zinc/39/33/84/857393384.db2.gz XCWRWYXNOHGSBA-IIBYNOLFSA-N 1 1 412.490 4.261 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000428919154 857414611 /nfs/dbraw/zinc/41/46/11/857414611.db2.gz DSNKZUNKYVJFBB-BBTUJRGHSA-N 1 1 410.518 4.317 20 5 HIBDMO CC(C)([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1[N+](=O)[O-] ZINC000429229972 857565708 /nfs/dbraw/zinc/56/57/08/857565708.db2.gz XLAKNOSWTJYHDC-UHFFFAOYSA-N 1 1 414.462 4.321 20 5 HIBDMO CC(C)([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000429247136 857573370 /nfs/dbraw/zinc/57/33/70/857573370.db2.gz IQVMBZNFNPICPZ-UHFFFAOYSA-N 1 1 409.408 4.011 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430765874 858296065 /nfs/dbraw/zinc/29/60/65/858296065.db2.gz TVCZTNACTANBOB-ZOCZFRKYSA-N 1 1 402.516 4.482 20 5 HIBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000431162800 858479983 /nfs/dbraw/zinc/47/99/83/858479983.db2.gz KVCNSERCCJGPFX-UHFFFAOYSA-N 1 1 424.339 4.086 20 5 HIBDMO CSCC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000433177792 859556715 /nfs/dbraw/zinc/55/67/15/859556715.db2.gz VPBYVFMZOSJMFI-MSOLQXFVSA-N 1 1 411.531 4.444 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302878 859626983 /nfs/dbraw/zinc/62/69/83/859626983.db2.gz YUGIQYTYHJQOOF-OAHLLOKOSA-N 1 1 401.850 4.036 20 5 HIBDMO Cc1nc2c(n1[C@@H]1CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C1)CCCC2 ZINC000434486531 860369780 /nfs/dbraw/zinc/36/97/80/860369780.db2.gz RAXNWFHORYBHNZ-LJQANCHMSA-N 1 1 421.501 4.123 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000435055052 860617873 /nfs/dbraw/zinc/61/78/73/860617873.db2.gz ARQNRZYNPMFBHB-UHFFFAOYSA-N 1 1 406.433 4.109 20 5 HIBDMO C[NH+](C)Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl ZINC000467763950 881581638 /nfs/dbraw/zinc/58/16/38/881581638.db2.gz XPWHPGHWQKOJLI-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000437875266 863236175 /nfs/dbraw/zinc/23/61/75/863236175.db2.gz SSMPMUNMOCLICM-QGZVFWFLSA-N 1 1 421.516 4.347 20 5 HIBDMO CC(C)CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438844334 864338722 /nfs/dbraw/zinc/33/87/22/864338722.db2.gz XPSTUMABDDDLEB-MRXNPFEDSA-N 1 1 415.321 4.007 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438953400 864425388 /nfs/dbraw/zinc/42/53/88/864425388.db2.gz OLWONKGMQGJLGS-NVXWUHKLSA-N 1 1 401.894 4.197 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000439883904 865194882 /nfs/dbraw/zinc/19/48/82/865194882.db2.gz VGKFJGSHJGETTK-LIRRHRJNSA-N 1 1 418.519 4.260 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000439884860 865196258 /nfs/dbraw/zinc/19/62/58/865196258.db2.gz XDWIBPWGAIOVEC-FUHWJXTLSA-N 1 1 412.490 4.168 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440520966 865803838 /nfs/dbraw/zinc/80/38/38/865803838.db2.gz AKWFIFZMOIEYBF-QGZVFWFLSA-N 1 1 401.894 4.232 20 5 HIBDMO COc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000440547571 865814243 /nfs/dbraw/zinc/81/42/43/865814243.db2.gz PZYWGTGCEJZBRU-UHFFFAOYSA-N 1 1 405.882 4.342 20 5 HIBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441065030 866149535 /nfs/dbraw/zinc/14/95/35/866149535.db2.gz NYIVXUDHMQXHLV-LBPRGKRZSA-N 1 1 401.410 4.329 20 5 HIBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000441100722 866196516 /nfs/dbraw/zinc/19/65/16/866196516.db2.gz ZQFGBROJPQATGL-LBPRGKRZSA-N 1 1 401.410 4.329 20 5 HIBDMO COc1ccc(OCC[N@@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)c([N+](=O)[O-])c1 ZINC000441236506 866311345 /nfs/dbraw/zinc/31/13/45/866311345.db2.gz ZHWABECLSCHRMA-UHFFFAOYSA-N 1 1 424.501 4.225 20 5 HIBDMO O=C(CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000443643538 868231421 /nfs/dbraw/zinc/23/14/21/868231421.db2.gz BIFUIGVKHPSYHH-CQSZACIVSA-N 1 1 412.421 4.083 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@H+]1Cc1ccccc1 ZINC000444222767 868674658 /nfs/dbraw/zinc/67/46/58/868674658.db2.gz GKTBDKFBHCWMPW-YLJYHZDGSA-N 1 1 411.505 4.074 20 5 HIBDMO CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444232513 868681793 /nfs/dbraw/zinc/68/17/93/868681793.db2.gz AQYUYBPKFVQUCW-FQEVSTJZSA-N 1 1 411.505 4.028 20 5 HIBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444245001 868693427 /nfs/dbraw/zinc/69/34/27/868693427.db2.gz CDQYEXFUFPVNIX-MRXNPFEDSA-N 1 1 409.505 4.061 20 5 HIBDMO CCc1nc2ccccc2n1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444673251 868949580 /nfs/dbraw/zinc/94/95/80/868949580.db2.gz HJLJHMFIQXXWJJ-UHFFFAOYSA-N 1 1 404.474 4.220 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000444910534 869097139 /nfs/dbraw/zinc/09/71/39/869097139.db2.gz FRLJDYHAQGWMFO-UHFFFAOYSA-N 1 1 424.501 4.123 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000444932673 869114482 /nfs/dbraw/zinc/11/44/82/869114482.db2.gz WONNFFRYZLDRDU-HSZRJFAPSA-N 1 1 424.501 4.123 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445001581 869156547 /nfs/dbraw/zinc/15/65/47/869156547.db2.gz VLVSVDOGNUDRRP-MOPGFXCFSA-N 1 1 417.553 4.408 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000445493531 869562329 /nfs/dbraw/zinc/56/23/29/869562329.db2.gz PMKKPJUGYBBOQJ-GOSISDBHSA-N 1 1 422.529 4.095 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(OCc4ccccc4F)c3)nc2c1 ZINC000446828786 870744185 /nfs/dbraw/zinc/74/41/85/870744185.db2.gz ZDVKGBQWMOKDTK-UHFFFAOYSA-N 1 1 406.417 4.479 20 5 HIBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000446890754 870809588 /nfs/dbraw/zinc/80/95/88/870809588.db2.gz OYKSRFHJMODWDL-HXUWFJFHSA-N 1 1 403.504 4.130 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000460473970 873160391 /nfs/dbraw/zinc/16/03/91/873160391.db2.gz WAVVSDZCOQZPSG-UHFFFAOYSA-N 1 1 405.907 4.358 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462158500 875254648 /nfs/dbraw/zinc/25/46/48/875254648.db2.gz LXZDPGYXLJSYMQ-UZLBHIALSA-N 1 1 413.543 4.346 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000462493456 875606074 /nfs/dbraw/zinc/60/60/74/875606074.db2.gz ZOZLTHMWPPMGIH-GOSISDBHSA-N 1 1 410.449 4.113 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462617191 875728577 /nfs/dbraw/zinc/72/85/77/875728577.db2.gz NHLBDJVVWFIPRX-AAIMPIBUSA-N 1 1 409.530 4.190 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462621717 875733476 /nfs/dbraw/zinc/73/34/76/875733476.db2.gz RZDKCRBPAVSZKU-KNQAVFIVSA-N 1 1 409.530 4.287 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)c1C ZINC000462760492 875824501 /nfs/dbraw/zinc/82/45/01/875824501.db2.gz JPWATBPLWAUIAM-UHFFFAOYSA-N 1 1 405.458 4.250 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000462863029 875895209 /nfs/dbraw/zinc/89/52/09/875895209.db2.gz XYHJFSFIPHQHEE-CQSZACIVSA-N 1 1 412.820 4.490 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000462872383 875902575 /nfs/dbraw/zinc/90/25/75/875902575.db2.gz FEYJEWDFOVLOMT-UHFFFAOYSA-N 1 1 402.454 4.980 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000462991203 876006067 /nfs/dbraw/zinc/00/60/67/876006067.db2.gz UISSVTHXYGFKEW-UGKGYDQZSA-N 1 1 409.530 4.287 20 5 HIBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO ZINC000463028743 876047063 /nfs/dbraw/zinc/04/70/63/876047063.db2.gz OWORMOVJCUDCJD-NSHDSACASA-N 1 1 415.309 4.031 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463155872 876209271 /nfs/dbraw/zinc/20/92/71/876209271.db2.gz KQYHZJSTNHIEHO-BETUJISGSA-N 1 1 401.429 4.100 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463400785 876454232 /nfs/dbraw/zinc/45/42/32/876454232.db2.gz ZXBIFDSFMSBYKH-UHFFFAOYSA-N 1 1 409.408 4.384 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@](CO)(Cc4ccccc4)C3)co2)cc1 ZINC000463439569 876497461 /nfs/dbraw/zinc/49/74/61/876497461.db2.gz AEEAXFMDXDNDSJ-QHCPKHFHSA-N 1 1 407.470 4.067 20 5 HIBDMO CN(C)c1cc[nH+]c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 ZINC000463484078 876542995 /nfs/dbraw/zinc/54/29/95/876542995.db2.gz PHAZEOQPVCWRPW-UHFFFAOYSA-N 1 1 418.251 4.085 20 5 HIBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000464677129 877894214 /nfs/dbraw/zinc/89/42/14/877894214.db2.gz LOMICPBOMILTQC-APWZRJJASA-N 1 1 401.482 4.227 20 5 HIBDMO Cc1ccc(CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]2CCCO2)cc1 ZINC000464777735 878021493 /nfs/dbraw/zinc/02/14/93/878021493.db2.gz PBRPUTTUHYOURY-NRFANRHFSA-N 1 1 422.485 4.177 20 5 HIBDMO Cc1ccc(CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]2CCCO2)cc1 ZINC000464777735 878021514 /nfs/dbraw/zinc/02/15/14/878021514.db2.gz PBRPUTTUHYOURY-NRFANRHFSA-N 1 1 422.485 4.177 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000464824837 878078962 /nfs/dbraw/zinc/07/89/62/878078962.db2.gz BLRGHXFKHFTSGT-OAQYLSRUSA-N 1 1 409.486 4.086 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503376671 912360362 /nfs/dbraw/zinc/36/03/62/912360362.db2.gz OBNRYPGFJRICHN-MRXNPFEDSA-N 1 1 419.485 4.233 20 5 HIBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000503455871 912479071 /nfs/dbraw/zinc/47/90/71/912479071.db2.gz AKBZTKGHNMZTEO-LJQANCHMSA-N 1 1 423.469 4.173 20 5 HIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000466151488 879858226 /nfs/dbraw/zinc/85/82/26/879858226.db2.gz ZPFSZEFBUSWFQJ-UHFFFAOYSA-N 1 1 407.474 4.327 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466285652 880028160 /nfs/dbraw/zinc/02/81/60/880028160.db2.gz GUKIFYVIJQWEQN-KRWDZBQOSA-N 1 1 405.857 4.172 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466285652 880028178 /nfs/dbraw/zinc/02/81/78/880028178.db2.gz GUKIFYVIJQWEQN-KRWDZBQOSA-N 1 1 405.857 4.172 20 5 HIBDMO CCNc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1[N+](=O)[O-] ZINC000467026048 880825598 /nfs/dbraw/zinc/82/55/98/880825598.db2.gz WKIJVXRLYLSZCX-UHFFFAOYSA-N 1 1 421.295 4.103 20 5 HIBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1Br ZINC000467079378 880852643 /nfs/dbraw/zinc/85/26/43/880852643.db2.gz OEHDIWVSDZAMBM-UHFFFAOYSA-N 1 1 417.263 4.153 20 5 HIBDMO C[N@H+](CC[C@@H]1CCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467153355 880889465 /nfs/dbraw/zinc/88/94/65/880889465.db2.gz AYQSFVLCBFJEQZ-PXNSSMCTSA-N 1 1 417.893 4.429 20 5 HIBDMO C[N@@H+](CC[C@@H]1CCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467153355 880889469 /nfs/dbraw/zinc/88/94/69/880889469.db2.gz AYQSFVLCBFJEQZ-PXNSSMCTSA-N 1 1 417.893 4.429 20 5 HIBDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469304818 883404208 /nfs/dbraw/zinc/40/42/08/883404208.db2.gz ZXJACRHJMMKOLC-RYUDHWBXSA-N 1 1 422.279 4.044 20 5 HIBDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469304820 883404234 /nfs/dbraw/zinc/40/42/34/883404234.db2.gz ZXJACRHJMMKOLC-VXGBXAGGSA-N 1 1 422.279 4.044 20 5 HIBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000470122461 884383525 /nfs/dbraw/zinc/38/35/25/884383525.db2.gz MJZPCAUTUDYUFF-DYESRHJHSA-N 1 1 412.465 4.252 20 5 HIBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470171141 884450191 /nfs/dbraw/zinc/45/01/91/884450191.db2.gz GBJOFKIDVYMCNF-OBHPCNEJSA-N 1 1 413.440 4.121 20 5 HIBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000470173816 884456392 /nfs/dbraw/zinc/45/63/92/884456392.db2.gz GBTGQJLULTYMDL-FOWTUZBSSA-N 1 1 412.486 4.125 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470665966 885093970 /nfs/dbraw/zinc/09/39/70/885093970.db2.gz GYBVOSAGQRLPEL-PXNSSMCTSA-N 1 1 413.543 4.198 20 5 HIBDMO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470815033 885304047 /nfs/dbraw/zinc/30/40/47/885304047.db2.gz XOPRQJLIDHNTQG-KRWDZBQOSA-N 1 1 421.419 4.350 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000470868756 885357297 /nfs/dbraw/zinc/35/72/97/885357297.db2.gz RGLXNXBYUUBSNP-IBGZPJMESA-N 1 1 422.529 4.324 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000470979576 885481335 /nfs/dbraw/zinc/48/13/35/885481335.db2.gz LOJPGVILMOBLKS-IEBWSBKVSA-N 1 1 411.502 4.119 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471390450 886038831 /nfs/dbraw/zinc/03/88/31/886038831.db2.gz ZCXPXCMHZUWIJQ-HDICACEKSA-N 1 1 407.495 4.014 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC[N@H+]2C2CC2)c1 ZINC000471952393 886760148 /nfs/dbraw/zinc/76/01/48/886760148.db2.gz GQWACNSYRZZEGU-FPOVZHCZSA-N 1 1 410.474 4.011 20 5 HIBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000472234855 887041622 /nfs/dbraw/zinc/04/16/22/887041622.db2.gz UAAVOGVDFGUHNC-OAHLLOKOSA-N 1 1 411.325 4.113 20 5 HIBDMO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473790448 888604684 /nfs/dbraw/zinc/60/46/84/888604684.db2.gz UXNUXWIBEJWBGM-SIKLNZKXSA-N 1 1 408.502 4.422 20 5 HIBDMO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473945101 888821800 /nfs/dbraw/zinc/82/18/00/888821800.db2.gz MJMIISFKIKAFIZ-XMSQKQJNSA-N 1 1 410.518 4.004 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)c(Cl)c1 ZINC000504560337 913333100 /nfs/dbraw/zinc/33/31/00/913333100.db2.gz GUFNKORDMJLHOY-INIZCTEOSA-N 1 1 419.909 4.052 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC[N@H+]2C2CC2)c1 ZINC000475564630 890494425 /nfs/dbraw/zinc/49/44/25/890494425.db2.gz NBIWFSYPHQVXEJ-KNQAVFIVSA-N 1 1 424.501 4.320 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000477589673 892663254 /nfs/dbraw/zinc/66/32/54/892663254.db2.gz JYOUWDDMQFSTQH-GOSISDBHSA-N 1 1 401.551 4.376 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1)CC(F)(F)F ZINC000477759750 892850022 /nfs/dbraw/zinc/85/00/22/892850022.db2.gz NFGOIDJSLMLWMX-HNNXBMFYSA-N 1 1 403.445 4.088 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053976 893204872 /nfs/dbraw/zinc/20/48/72/893204872.db2.gz NWNQVNOGZZVEFC-PKOBYXMFSA-N 1 1 416.566 4.207 20 5 HIBDMO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000478563251 893850620 /nfs/dbraw/zinc/85/06/20/893850620.db2.gz QNRSGNAJBQLEGB-IFMALSPDSA-N 1 1 421.541 4.386 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478626745 893883567 /nfs/dbraw/zinc/88/35/67/893883567.db2.gz YJDJFDYVZZTLHT-IBGZPJMESA-N 1 1 416.566 4.290 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478633516 893886888 /nfs/dbraw/zinc/88/68/88/893886888.db2.gz SNEXHGPCNYFTAI-QGZVFWFLSA-N 1 1 405.564 4.190 20 5 HIBDMO C[C@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479442755 894758707 /nfs/dbraw/zinc/75/87/07/894758707.db2.gz YFTDBNBGIAJOID-ROUUACIJSA-N 1 1 402.539 4.342 20 5 HIBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000480055192 895402450 /nfs/dbraw/zinc/40/24/50/895402450.db2.gz FGVRSMNDLIFJNX-WIYYLYMNSA-N 1 1 410.518 4.270 20 5 HIBDMO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000480471088 895853010 /nfs/dbraw/zinc/85/30/10/895853010.db2.gz RZBISAYIEKTDHR-HXUWFJFHSA-N 1 1 405.454 4.054 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000480604119 895969336 /nfs/dbraw/zinc/96/93/36/895969336.db2.gz FUNHFNYVXWUUAB-UHFFFAOYSA-N 1 1 405.539 4.132 20 5 HIBDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481209489 896562109 /nfs/dbraw/zinc/56/21/09/896562109.db2.gz ZBUJAXDWMKJBJY-WWMYMODYSA-N 1 1 421.501 4.206 20 5 HIBDMO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481377625 896773904 /nfs/dbraw/zinc/77/39/04/896773904.db2.gz KPSHBLCCKKMXIF-KPZWWZAWSA-N 1 1 402.838 4.164 20 5 HIBDMO Cn1c2ccccc2nc1[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000481424626 896826192 /nfs/dbraw/zinc/82/61/92/896826192.db2.gz YJFDOFWKYKVLNI-JOCHJYFZSA-N 1 1 402.454 4.240 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000505471655 914144171 /nfs/dbraw/zinc/14/41/71/914144171.db2.gz LYXCQRYHXGIPKR-GOSISDBHSA-N 1 1 417.531 4.138 20 5 HIBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)C1 ZINC000505573787 914280003 /nfs/dbraw/zinc/28/00/03/914280003.db2.gz DSUNMYPQGQDJOV-JOCHJYFZSA-N 1 1 411.527 4.304 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000484950592 900318391 /nfs/dbraw/zinc/31/83/91/900318391.db2.gz XKNBGLQNCLKQOS-RTWAWAEBSA-N 1 1 407.514 4.114 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](C4CC4)C3)o2)c(Br)c1 ZINC000485691519 900942740 /nfs/dbraw/zinc/94/27/40/900942740.db2.gz COQHQYLUFVQKMF-GOSISDBHSA-N 1 1 407.264 4.228 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](C4CC4)C3)o2)c(Br)c1 ZINC000485691519 900942748 /nfs/dbraw/zinc/94/27/48/900942748.db2.gz COQHQYLUFVQKMF-GOSISDBHSA-N 1 1 407.264 4.228 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505841488 914493411 /nfs/dbraw/zinc/49/34/11/914493411.db2.gz WARJWKKSJOXOJV-OAHLLOKOSA-N 1 1 422.428 4.148 20 5 HIBDMO CCOc1cc(C[N@@H+](C)C(C)C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000505848677 914496209 /nfs/dbraw/zinc/49/62/09/914496209.db2.gz XQHCBOYLMSJYCA-UHFFFAOYSA-N 1 1 416.474 4.279 20 5 HIBDMO COC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000505899723 914540883 /nfs/dbraw/zinc/54/08/83/914540883.db2.gz ZWZMRMJXXCUNFO-UHFFFAOYSA-N 1 1 404.850 4.426 20 5 HIBDMO CSc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000486406374 901567545 /nfs/dbraw/zinc/56/75/45/901567545.db2.gz KFMMMTBXTQXALR-AEFFLSMTSA-N 1 1 413.543 4.442 20 5 HIBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486829868 901881698 /nfs/dbraw/zinc/88/16/98/901881698.db2.gz WTRTWQLJZGJKSC-WZONZLPQSA-N 1 1 420.469 4.077 20 5 HIBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486835849 901886990 /nfs/dbraw/zinc/88/69/90/901886990.db2.gz VTYLNUMNAVOBNH-ZDPZECHZSA-N 1 1 405.458 4.155 20 5 HIBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000486850148 901896839 /nfs/dbraw/zinc/89/68/39/901896839.db2.gz MMGWHIJUVQTSPR-AUSIDOKSSA-N 1 1 404.470 4.241 20 5 HIBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486888594 901934769 /nfs/dbraw/zinc/93/47/69/901934769.db2.gz SHCJUJPOKBXGDF-GDBMZVCRSA-N 1 1 402.882 4.280 20 5 HIBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000487007450 902011757 /nfs/dbraw/zinc/01/17/57/902011757.db2.gz BJQZTJFNLARSTH-KRWDZBQOSA-N 1 1 409.511 4.104 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000488055884 902569918 /nfs/dbraw/zinc/56/99/18/902569918.db2.gz JJESYYRJJZHKAP-KURKYZTESA-N 1 1 411.502 4.003 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000489572718 903471401 /nfs/dbraw/zinc/47/14/01/903471401.db2.gz RTRRUHCIBLMUIS-LBPRGKRZSA-N 1 1 416.384 4.181 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1Cl ZINC000489871558 903643640 /nfs/dbraw/zinc/64/36/40/903643640.db2.gz JTQYPFBFTRGQJN-FQEVSTJZSA-N 1 1 416.909 4.225 20 5 HIBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490014873 903724399 /nfs/dbraw/zinc/72/43/99/903724399.db2.gz RFARZFZFUUPOGM-HUUCEWRRSA-N 1 1 401.429 4.087 20 5 HIBDMO CO[C@@H](C)c1nc(CN2CCC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013325 903724613 /nfs/dbraw/zinc/72/46/13/903724613.db2.gz LTKBDVDEQJISOQ-IRXDYDNUSA-N 1 1 418.563 4.336 20 5 HIBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490164659 903805289 /nfs/dbraw/zinc/80/52/89/903805289.db2.gz NHRNPKSEIADWTP-NRFANRHFSA-N 1 1 421.501 4.439 20 5 HIBDMO COc1cc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000490168610 903806706 /nfs/dbraw/zinc/80/67/06/903806706.db2.gz XWHOFBZYZTUBTO-XDHUDOTRSA-N 1 1 422.481 4.415 20 5 HIBDMO COc1cc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000490168607 903806854 /nfs/dbraw/zinc/80/68/54/903806854.db2.gz XWHOFBZYZTUBTO-BXKMTCNYSA-N 1 1 422.481 4.415 20 5 HIBDMO C[C@@H]1CN(c2ccc(C[NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000490172233 903809455 /nfs/dbraw/zinc/80/94/55/903809455.db2.gz MEOWRFFYFUMVQP-HOYKHHGWSA-N 1 1 418.497 4.094 20 5 HIBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000490372570 903964988 /nfs/dbraw/zinc/96/49/88/903964988.db2.gz VUNGMACKHRFJBZ-KRWDZBQOSA-N 1 1 413.543 4.454 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490797050 904243446 /nfs/dbraw/zinc/24/34/46/904243446.db2.gz NNFINDGSVWLDCN-WMZOPIPTSA-N 1 1 413.543 4.347 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000491052525 904396648 /nfs/dbraw/zinc/39/66/48/904396648.db2.gz RDFCTGJPTZZNNG-FQEVSTJZSA-N 1 1 409.530 4.243 20 5 HIBDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1[N+](=O)[O-] ZINC000506123901 914812621 /nfs/dbraw/zinc/81/26/21/914812621.db2.gz DIZLVPQKYWECBI-OAHLLOKOSA-N 1 1 419.407 4.344 20 5 HIBDMO Cn1nc(CCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1-c1ccc(F)cc1 ZINC000491167989 904465886 /nfs/dbraw/zinc/46/58/86/904465886.db2.gz OJTUVHDKGLNWFC-UHFFFAOYSA-N 1 1 400.429 4.338 20 5 HIBDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491227741 904490026 /nfs/dbraw/zinc/49/00/26/904490026.db2.gz ICILZSQCXJBQHC-HNNXBMFYSA-N 1 1 402.438 4.028 20 5 HIBDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491227742 904490337 /nfs/dbraw/zinc/49/03/37/904490337.db2.gz ICILZSQCXJBQHC-OAHLLOKOSA-N 1 1 402.438 4.028 20 5 HIBDMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F ZINC000491357079 904554853 /nfs/dbraw/zinc/55/48/53/904554853.db2.gz VNZLSPMUJXYXAN-NRFANRHFSA-N 1 1 415.371 4.330 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000491423157 904588592 /nfs/dbraw/zinc/58/85/92/904588592.db2.gz LEDMVNOFPWLZPE-WIYYLYMNSA-N 1 1 422.529 4.322 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960264 904968546 /nfs/dbraw/zinc/96/85/46/904968546.db2.gz LUYQVWKJJAEBDR-MOPGFXCFSA-N 1 1 410.518 4.270 20 5 HIBDMO Cc1c(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cccc1[N+](=O)[O-] ZINC000493819294 905227419 /nfs/dbraw/zinc/22/74/19/905227419.db2.gz MNMQYIXJEMDNPQ-HNNXBMFYSA-N 1 1 419.407 4.344 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000494164755 905501770 /nfs/dbraw/zinc/50/17/70/905501770.db2.gz RKZMAYQHWVJJAT-AZUAARDMSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000494164755 905501786 /nfs/dbraw/zinc/50/17/86/905501786.db2.gz RKZMAYQHWVJJAT-AZUAARDMSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000494275071 905598220 /nfs/dbraw/zinc/59/82/20/905598220.db2.gz WEEZJRUEKZAZCJ-UHFFFAOYSA-N 1 1 424.270 4.265 20 5 HIBDMO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000512444510 921166550 /nfs/dbraw/zinc/16/65/50/921166550.db2.gz PQNQNVWBXFFBJG-KRWDZBQOSA-N 1 1 400.454 4.076 20 5 HIBDMO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494499438 905787715 /nfs/dbraw/zinc/78/77/15/905787715.db2.gz ZQFRQYUTFXIUBQ-UYHISHBKSA-N 1 1 414.849 4.479 20 5 HIBDMO C[C@@H]1C[C@@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@H+]1Cc1ccccc1 ZINC000512551201 921231323 /nfs/dbraw/zinc/23/13/23/921231323.db2.gz RWCBPOMMJZWKAO-SJLPKXTDSA-N 1 1 406.486 4.107 20 5 HIBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000512557766 921234652 /nfs/dbraw/zinc/23/46/52/921234652.db2.gz XQAAQOFIBGYKBB-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000512557766 921234657 /nfs/dbraw/zinc/23/46/57/921234657.db2.gz XQAAQOFIBGYKBB-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000512679648 921285300 /nfs/dbraw/zinc/28/53/00/921285300.db2.gz YQQDWTVYSAVTDM-HNNXBMFYSA-N 1 1 401.438 4.004 20 5 HIBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000512679649 921285535 /nfs/dbraw/zinc/28/55/35/921285535.db2.gz YQQDWTVYSAVTDM-OAHLLOKOSA-N 1 1 401.438 4.004 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498463969 907929640 /nfs/dbraw/zinc/92/96/40/907929640.db2.gz KSQVBCHQAFOHHW-OAHLLOKOSA-N 1 1 402.520 4.103 20 5 HIBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000498472560 907942206 /nfs/dbraw/zinc/94/22/06/907942206.db2.gz LCWRKPIWTNRSGS-DLBZAZTESA-N 1 1 422.957 4.087 20 5 HIBDMO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498689345 908116758 /nfs/dbraw/zinc/11/67/58/908116758.db2.gz LLYHSNBYKUXYHZ-WIYYLYMNSA-N 1 1 422.529 4.179 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000499301236 908671654 /nfs/dbraw/zinc/67/16/54/908671654.db2.gz QOQSTFPHQPTBTM-MRXNPFEDSA-N 1 1 407.474 4.034 20 5 HIBDMO COc1cccc(C2(F)CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000500156717 909638752 /nfs/dbraw/zinc/63/87/52/909638752.db2.gz RHZCJUSIGYGHHM-MRXNPFEDSA-N 1 1 415.465 4.200 20 5 HIBDMO CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000500400299 909836423 /nfs/dbraw/zinc/83/64/23/909836423.db2.gz HBLYZXDMFUGLPU-UHFFFAOYSA-N 1 1 420.487 4.156 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000500626640 909976643 /nfs/dbraw/zinc/97/66/43/909976643.db2.gz UBLJZEOVUAWCCP-CTNGQTDRSA-N 1 1 424.545 4.079 20 5 HIBDMO CCCn1nccc1C1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000501535191 910644375 /nfs/dbraw/zinc/64/43/75/910644375.db2.gz VRXGTHDMUMTALE-OAHLLOKOSA-N 1 1 410.478 4.192 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513259580 921663949 /nfs/dbraw/zinc/66/39/49/921663949.db2.gz CNDCGQWECQAOOY-LJQANCHMSA-N 1 1 422.510 4.113 20 5 HIBDMO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506443190 915044772 /nfs/dbraw/zinc/04/47/72/915044772.db2.gz KGWMVWZRWFNYAY-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506443190 915044796 /nfs/dbraw/zinc/04/47/96/915044796.db2.gz KGWMVWZRWFNYAY-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO Cc1nc(CN2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)oc1C ZINC000513382645 921755800 /nfs/dbraw/zinc/75/58/00/921755800.db2.gz YKWXJKRKFONYPQ-UHFFFAOYSA-N 1 1 412.515 4.246 20 5 HIBDMO CN(c1ccccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC[NH+](C)CC1 ZINC000507155599 915896004 /nfs/dbraw/zinc/89/60/04/915896004.db2.gz PCMRIWIIJLMYNI-UHFFFAOYSA-N 1 1 408.546 4.290 20 5 HIBDMO CN(c1ccccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC[NH+](C)CC1 ZINC000507167150 915907683 /nfs/dbraw/zinc/90/76/83/915907683.db2.gz IUVPUAQDKBNTBR-UHFFFAOYSA-N 1 1 408.546 4.290 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507250370 916012001 /nfs/dbraw/zinc/01/20/01/916012001.db2.gz DNHFFKXKTJIOQC-CQSZACIVSA-N 1 1 411.437 4.421 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000507305304 916068191 /nfs/dbraw/zinc/06/81/91/916068191.db2.gz UPVPZZXXPZJXJT-DNVCBOLYSA-N 1 1 403.548 4.186 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000509375749 918040512 /nfs/dbraw/zinc/04/05/12/918040512.db2.gz YQMOQBWZTMZONJ-IBGZPJMESA-N 1 1 400.454 4.156 20 5 HIBDMO CCOc1ccc(C2=CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000509431285 918089281 /nfs/dbraw/zinc/08/92/81/918089281.db2.gz MVTUSMOZSLDRQZ-UHFFFAOYSA-N 1 1 409.486 4.420 20 5 HIBDMO COc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OC(C)C ZINC000509601131 918250405 /nfs/dbraw/zinc/25/04/05/918250405.db2.gz KXYBXKJYTDAXRT-AWEZNQCLSA-N 1 1 402.447 4.108 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000510239405 918777251 /nfs/dbraw/zinc/77/72/51/918777251.db2.gz BOTIXIDBRLOGQB-AEFFLSMTSA-N 1 1 406.486 4.107 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000510895984 919393285 /nfs/dbraw/zinc/39/32/85/919393285.db2.gz SJCZGVBXVFMFHG-LJQANCHMSA-N 1 1 424.545 4.353 20 5 HIBDMO C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511104030 919709923 /nfs/dbraw/zinc/70/99/23/919709923.db2.gz FEXQUZQRLNTMIG-HSZRJFAPSA-N 1 1 423.538 4.427 20 5 HIBDMO Cc1ccc([C@H](NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000511120080 919731972 /nfs/dbraw/zinc/73/19/72/919731972.db2.gz HAQIVDYYRZDHDB-QHCPKHFHSA-N 1 1 423.538 4.345 20 5 HIBDMO Cc1ccc([C@H](NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000511120080 919731986 /nfs/dbraw/zinc/73/19/86/919731986.db2.gz HAQIVDYYRZDHDB-QHCPKHFHSA-N 1 1 423.538 4.345 20 5 HIBDMO O=C(C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000511375968 919975194 /nfs/dbraw/zinc/97/51/94/919975194.db2.gz DYDNNFJQGUKXDR-LJQANCHMSA-N 1 1 410.861 4.155 20 5 HIBDMO CC[N@H+](Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)C[C@@H]1CCCO1 ZINC000511495156 920106599 /nfs/dbraw/zinc/10/65/99/920106599.db2.gz NAUNYUZFPIEFPA-FQEVSTJZSA-N 1 1 400.475 4.183 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511739038 920409563 /nfs/dbraw/zinc/40/95/63/920409563.db2.gz BJTHVOSIDYEYCX-FCHUYYIVSA-N 1 1 415.493 4.301 20 5 HIBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511772071 920460828 /nfs/dbraw/zinc/46/08/28/920460828.db2.gz SBYTZZCYQBELEB-OAQYLSRUSA-N 1 1 411.502 4.024 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000511784880 920477795 /nfs/dbraw/zinc/47/77/95/920477795.db2.gz MHVJYPWYQVHTRU-FQEVSTJZSA-N 1 1 413.543 4.104 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000512086554 920850464 /nfs/dbraw/zinc/85/04/64/920850464.db2.gz AKPRMOIACXLPGQ-MRXNPFEDSA-N 1 1 406.486 4.238 20 5 HIBDMO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000513824737 922149936 /nfs/dbraw/zinc/14/99/36/922149936.db2.gz PTNGGPPOXCFZOX-BLKABHOGSA-N 1 1 403.567 4.033 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000513912955 922236140 /nfs/dbraw/zinc/23/61/40/922236140.db2.gz JYPIRUKTGDXQPA-OAQYLSRUSA-N 1 1 406.486 4.107 20 5 HIBDMO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000518275441 927132731 /nfs/dbraw/zinc/13/27/31/927132731.db2.gz FFEPHJFANLOXBN-ZDUSSCGKSA-N 1 1 410.312 4.437 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000518401999 927242349 /nfs/dbraw/zinc/24/23/49/927242349.db2.gz NBWQDPHTZKBWBO-SFHVURJKSA-N 1 1 410.518 4.011 20 5 HIBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000519777113 928072892 /nfs/dbraw/zinc/07/28/92/928072892.db2.gz RHRCRGLTWGAQII-ZDUSSCGKSA-N 1 1 401.429 4.244 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC[N@H+]4CCCC[C@H]34)o2)c(Br)c1 ZINC000520949716 928885460 /nfs/dbraw/zinc/88/54/60/928885460.db2.gz NIEDXKVNRWPGMS-ZWKOTPCHSA-N 1 1 420.307 4.334 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCN4CCCC[C@H]34)o2)c(Br)c1 ZINC000520949716 928885463 /nfs/dbraw/zinc/88/54/63/928885463.db2.gz NIEDXKVNRWPGMS-ZWKOTPCHSA-N 1 1 420.307 4.334 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000522002140 929616418 /nfs/dbraw/zinc/61/64/18/929616418.db2.gz UQRWDYYOAVOTEU-OAHLLOKOSA-N 1 1 419.909 4.172 20 5 HIBDMO C[C@H]1CC[N@H+](CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000524771264 929825285 /nfs/dbraw/zinc/82/52/85/929825285.db2.gz MUDSRBRGXHUZJQ-ZDUSSCGKSA-N 1 1 408.296 4.049 20 5 HIBDMO C[C@H]1CC[N@@H+](CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000524771264 929825287 /nfs/dbraw/zinc/82/52/87/929825287.db2.gz MUDSRBRGXHUZJQ-ZDUSSCGKSA-N 1 1 408.296 4.049 20 5 HIBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000524892773 929875820 /nfs/dbraw/zinc/87/58/20/929875820.db2.gz MQYAEHCNPGRRFD-UXHICEINSA-N 1 1 404.507 4.411 20 5 HIBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000525555008 930323070 /nfs/dbraw/zinc/32/30/70/930323070.db2.gz ZXLARKHYQSMNCV-QMTMVMCOSA-N 1 1 419.572 4.336 20 5 HIBDMO COc1cc(C[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000526115989 930537727 /nfs/dbraw/zinc/53/77/27/930537727.db2.gz WUANFPYQOXQBKN-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO COc1cc(C[N@@H+](C)CCc2ccccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000526115989 930537730 /nfs/dbraw/zinc/53/77/30/930537730.db2.gz WUANFPYQOXQBKN-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO C[NH+](C)[C@@]1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCSC1 ZINC000530883293 930848510 /nfs/dbraw/zinc/84/85/10/930848510.db2.gz IFJUBQYRNGIYHP-HXUWFJFHSA-N 1 1 405.495 4.053 20 5 HIBDMO O=C(C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000531388179 931041098 /nfs/dbraw/zinc/04/10/98/931041098.db2.gz LPNAKZZSOVQINH-UHFFFAOYSA-N 1 1 423.419 4.141 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c2c(c1)COCO2 ZINC000532275694 931380450 /nfs/dbraw/zinc/38/04/50/931380450.db2.gz MWWBUKJPHSISIN-AWEZNQCLSA-N 1 1 415.515 4.176 20 5 HIBDMO CC1CC[NH+](C[C@H]2CCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)CC1 ZINC000532511846 931468879 /nfs/dbraw/zinc/46/88/79/931468879.db2.gz VIYKLIRHTIRSIO-IBGZPJMESA-N 1 1 412.534 4.236 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000532580748 931539102 /nfs/dbraw/zinc/53/91/02/931539102.db2.gz RODNXRRTJZOXHD-UKRRQHHQSA-N 1 1 403.866 4.073 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000532580748 931539110 /nfs/dbraw/zinc/53/91/10/931539110.db2.gz RODNXRRTJZOXHD-UKRRQHHQSA-N 1 1 403.866 4.073 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c2c(c1)COCO2 ZINC000532780110 931629425 /nfs/dbraw/zinc/62/94/25/931629425.db2.gz WMUMHTNKPLVLIA-ZDUSSCGKSA-N 1 1 413.405 4.121 20 5 HIBDMO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000533046190 931751031 /nfs/dbraw/zinc/75/10/31/931751031.db2.gz HERKOMKSQKUJSM-KRWDZBQOSA-N 1 1 407.392 4.440 20 5 HIBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000533046190 931751039 /nfs/dbraw/zinc/75/10/39/931751039.db2.gz HERKOMKSQKUJSM-KRWDZBQOSA-N 1 1 407.392 4.440 20 5 HIBDMO CN(C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000533147243 931785671 /nfs/dbraw/zinc/78/56/71/931785671.db2.gz FWIPZHSPELAIRP-LJQANCHMSA-N 1 1 407.392 4.012 20 5 HIBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000533250687 931819173 /nfs/dbraw/zinc/81/91/73/931819173.db2.gz HVOGCLMKPDCBAR-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000533250687 931819174 /nfs/dbraw/zinc/81/91/74/931819174.db2.gz HVOGCLMKPDCBAR-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000533407163 931860306 /nfs/dbraw/zinc/86/03/06/931860306.db2.gz MNVVJZITEABFPZ-LAUBAEHRSA-N 1 1 421.501 4.302 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000533434631 931868040 /nfs/dbraw/zinc/86/80/40/931868040.db2.gz ZFNLNGCAKMFNNO-KRWDZBQOSA-N 1 1 422.485 4.430 20 5 HIBDMO Cc1c(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000533508425 931888743 /nfs/dbraw/zinc/88/87/43/931888743.db2.gz PXIVNFWNUHBFCZ-INIZCTEOSA-N 1 1 400.454 4.076 20 5 HIBDMO Cn1cc([C@H](CO)[NH2+]Cc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cn1 ZINC000533854523 932063049 /nfs/dbraw/zinc/06/30/49/932063049.db2.gz ZHXITWDXZAVTHX-FQEVSTJZSA-N 1 1 424.501 4.241 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000534123594 932289966 /nfs/dbraw/zinc/28/99/66/932289966.db2.gz JFLKASVSWNBIMB-RTBURBONSA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000534123594 932289974 /nfs/dbraw/zinc/28/99/74/932289974.db2.gz JFLKASVSWNBIMB-RTBURBONSA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534227479 932346854 /nfs/dbraw/zinc/34/68/54/932346854.db2.gz XRESXTGYCRBASJ-HRAATJIYSA-N 1 1 419.884 4.129 20 5 HIBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000534959414 932859968 /nfs/dbraw/zinc/85/99/68/932859968.db2.gz GZXBLSPGCLDZNT-RXVVDRJESA-N 1 1 418.497 4.203 20 5 HIBDMO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000535367929 933096240 /nfs/dbraw/zinc/09/62/40/933096240.db2.gz GEFXRQPUGMQNHB-DYESRHJHSA-N 1 1 420.513 4.303 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799060 933396001 /nfs/dbraw/zinc/39/60/01/933396001.db2.gz AKTCJCPOCCBKPP-ICSRJNTNSA-N 1 1 412.486 4.183 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)ccc1Oc1ccc(F)cc1 ZINC000535822652 933416863 /nfs/dbraw/zinc/41/68/63/933416863.db2.gz NUWOIHUBENODSW-PXNSSMCTSA-N 1 1 404.463 4.233 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)ccc1Oc1ccc(F)cc1 ZINC000535822652 933416870 /nfs/dbraw/zinc/41/68/70/933416870.db2.gz NUWOIHUBENODSW-PXNSSMCTSA-N 1 1 404.463 4.233 20 5 HIBDMO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000535967445 933529458 /nfs/dbraw/zinc/52/94/58/933529458.db2.gz RCYPWIGOKBXBNZ-AWEZNQCLSA-N 1 1 406.442 4.009 20 5 HIBDMO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000535967445 933529466 /nfs/dbraw/zinc/52/94/66/933529466.db2.gz RCYPWIGOKBXBNZ-AWEZNQCLSA-N 1 1 406.442 4.009 20 5 HIBDMO Cc1ccc(NC/C=C/c2ccccc2[N+](=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000536099300 933651286 /nfs/dbraw/zinc/65/12/86/933651286.db2.gz QUMQZUNSUOZRJI-VQHVLOKHSA-N 1 1 408.502 4.453 20 5 HIBDMO Cc1ccc(NC/C=C\c2ccccc2[N+](=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000536099298 933651903 /nfs/dbraw/zinc/65/19/03/933651903.db2.gz QUMQZUNSUOZRJI-CLFYSBASSA-N 1 1 408.502 4.453 20 5 HIBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537375465 933743754 /nfs/dbraw/zinc/74/37/54/933743754.db2.gz SKYQHBUPEMJGMK-QZTJIDSGSA-N 1 1 421.419 4.481 20 5 HIBDMO CCOc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537620720 938336012 /nfs/dbraw/zinc/33/60/12/938336012.db2.gz WTSSMAFRZJUNSS-DLBZAZTESA-N 1 1 416.522 4.198 20 5 HIBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)cn1 ZINC000537626240 938338569 /nfs/dbraw/zinc/33/85/69/938338569.db2.gz KVNAOONJXQRMKS-CQSZACIVSA-N 1 1 400.866 4.306 20 5 HIBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000537629712 938340575 /nfs/dbraw/zinc/34/05/75/938340575.db2.gz XXJKUISSYFNMSZ-OAHLLOKOSA-N 1 1 416.547 4.093 20 5 HIBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000537629712 938340578 /nfs/dbraw/zinc/34/05/78/938340578.db2.gz XXJKUISSYFNMSZ-OAHLLOKOSA-N 1 1 416.547 4.093 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1)CC(C)C ZINC000538035976 938476111 /nfs/dbraw/zinc/47/61/11/938476111.db2.gz UKGWVSUBICKADF-UHFFFAOYSA-N 1 1 412.534 4.363 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000538096874 938501271 /nfs/dbraw/zinc/50/12/71/938501271.db2.gz YEYQNBRMMHLYBX-YLJYHZDGSA-N 1 1 408.502 4.078 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000538141799 938519056 /nfs/dbraw/zinc/51/90/56/938519056.db2.gz QIMYPJSIRWXTLX-SNVBAGLBSA-N 1 1 400.237 4.354 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000538688761 938684356 /nfs/dbraw/zinc/68/43/56/938684356.db2.gz LCJUZKPGRVUIDD-UHFFFAOYSA-N 1 1 413.543 4.443 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000538749863 938700625 /nfs/dbraw/zinc/70/06/25/938700625.db2.gz KNMONQLRTMEKLZ-PMACEKPBSA-N 1 1 418.497 4.306 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@@H]1CCC[C@@H]1O ZINC000538811692 938719066 /nfs/dbraw/zinc/71/90/66/938719066.db2.gz BNMLMBHFUXYJOL-SJCJKPOMSA-N 1 1 409.280 4.210 20 5 HIBDMO C[N@@H+](CCc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000539332155 938843317 /nfs/dbraw/zinc/84/33/17/938843317.db2.gz NFCNIBDLYODXLR-UHFFFAOYSA-N 1 1 408.502 4.084 20 5 HIBDMO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000539708271 938907948 /nfs/dbraw/zinc/90/79/48/938907948.db2.gz KWNADUZOJHYHDS-AWEZNQCLSA-N 1 1 420.498 4.365 20 5 HIBDMO COc1cc(C[NH2+]Cc2cnc3ccccc3c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539711063 938908575 /nfs/dbraw/zinc/90/85/75/938908575.db2.gz BUPINQCQRYKJCB-UHFFFAOYSA-N 1 1 421.375 4.383 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+](C)Cc3ccc([S@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000539821079 938943955 /nfs/dbraw/zinc/94/39/55/938943955.db2.gz XIWJJGPTRWXDHW-LJAQVGFWSA-N 1 1 414.483 4.233 20 5 HIBDMO COc1ccc(-c2ccc(C[N@@H+](C)Cc3ccc([S@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000539821079 938943960 /nfs/dbraw/zinc/94/39/60/938943960.db2.gz XIWJJGPTRWXDHW-LJAQVGFWSA-N 1 1 414.483 4.233 20 5 HIBDMO COc1cc(C[N@@H+](C)CCC2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539821868 938944956 /nfs/dbraw/zinc/94/49/56/938944956.db2.gz DNGHKXZDZCVZJL-UHFFFAOYSA-N 1 1 414.502 4.431 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)c2)CCO1 ZINC000539969825 938982521 /nfs/dbraw/zinc/98/25/21/938982521.db2.gz APVYBIOGWJHCPD-CQSZACIVSA-N 1 1 407.417 4.029 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)c2)CCO1 ZINC000539969825 938982523 /nfs/dbraw/zinc/98/25/23/938982523.db2.gz APVYBIOGWJHCPD-CQSZACIVSA-N 1 1 407.417 4.029 20 5 HIBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000540117816 939079331 /nfs/dbraw/zinc/07/93/31/939079331.db2.gz NMSBVCXPSNJFEP-HNNXBMFYSA-N 1 1 424.238 4.203 20 5 HIBDMO COc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc(OC)c1OC ZINC000540325480 939195342 /nfs/dbraw/zinc/19/53/42/939195342.db2.gz UMFCZTVSOFIWTK-AWEZNQCLSA-N 1 1 404.463 4.259 20 5 HIBDMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000540376679 939217456 /nfs/dbraw/zinc/21/74/56/939217456.db2.gz QPAOJQKUZZZAKU-RDTXWAMCSA-N 1 1 424.482 4.278 20 5 HIBDMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)C[C@@H]1CCCCO1 ZINC000540421496 939242552 /nfs/dbraw/zinc/24/25/52/939242552.db2.gz MCLUNLROYKHDNN-SFHVURJKSA-N 1 1 401.463 4.220 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1ccccc1Br ZINC000540423741 939243307 /nfs/dbraw/zinc/24/33/07/939243307.db2.gz ZRUUVJHIBJSWQJ-UHFFFAOYSA-N 1 1 406.280 4.129 20 5 HIBDMO CC(=O)N1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000540628325 939323180 /nfs/dbraw/zinc/32/31/80/939323180.db2.gz WZUKIOYUAUNVHG-LJQANCHMSA-N 1 1 408.483 4.306 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)nc2c1 ZINC000540863377 939401270 /nfs/dbraw/zinc/40/12/70/939401270.db2.gz OYCJAWLEQVPMAH-HNNXBMFYSA-N 1 1 410.478 4.281 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)nc2c1 ZINC000540863377 939401274 /nfs/dbraw/zinc/40/12/74/939401274.db2.gz OYCJAWLEQVPMAH-HNNXBMFYSA-N 1 1 410.478 4.281 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129657 939471737 /nfs/dbraw/zinc/47/17/37/939471737.db2.gz OPUANUSQNBSVAB-INIZCTEOSA-N 1 1 412.412 4.434 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129657 939471739 /nfs/dbraw/zinc/47/17/39/939471739.db2.gz OPUANUSQNBSVAB-INIZCTEOSA-N 1 1 412.412 4.434 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]CC(C)(C)N2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545561 939550333 /nfs/dbraw/zinc/55/03/33/939550333.db2.gz JSHOHVHWAVOKOU-QFIPXVFZSA-N 1 1 415.534 4.319 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000541568109 939556834 /nfs/dbraw/zinc/55/68/34/939556834.db2.gz CNRLIQZZGPKYIJ-OAHLLOKOSA-N 1 1 418.515 4.171 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000542055042 939700726 /nfs/dbraw/zinc/70/07/26/939700726.db2.gz JYPGNADVSRWQSU-QFIPXVFZSA-N 1 1 411.502 4.068 20 5 HIBDMO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000542590707 939846941 /nfs/dbraw/zinc/84/69/41/939846941.db2.gz SRMRWVYPHWSJMW-KSSFIOAISA-N 1 1 408.483 4.174 20 5 HIBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000542623141 939849799 /nfs/dbraw/zinc/84/97/99/939849799.db2.gz PRDPIOAELNMACL-OAHLLOKOSA-N 1 1 423.473 4.195 20 5 HIBDMO Cc1cc2cc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)oc2cc1C ZINC000542665130 939852654 /nfs/dbraw/zinc/85/26/54/939852654.db2.gz DHINOOHFBKUDKK-OAHLLOKOSA-N 1 1 402.472 4.082 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)co2)cc1 ZINC000542986031 939891639 /nfs/dbraw/zinc/89/16/39/939891639.db2.gz HVVITOCRRHTSGY-INIZCTEOSA-N 1 1 421.379 4.302 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)co2)cc1 ZINC000542986031 939891640 /nfs/dbraw/zinc/89/16/40/939891640.db2.gz HVVITOCRRHTSGY-INIZCTEOSA-N 1 1 421.379 4.302 20 5 HIBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c(Cl)c1 ZINC000543406008 940054934 /nfs/dbraw/zinc/05/49/34/940054934.db2.gz FJOGZISYPHAQGP-UHFFFAOYSA-N 1 1 413.655 4.072 20 5 HIBDMO CCc1ccc([C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543411698 940057567 /nfs/dbraw/zinc/05/75/67/940057567.db2.gz ZZRZMPIIKKGKCQ-XMMPIXPASA-N 1 1 420.513 4.489 20 5 HIBDMO C[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543522322 940095490 /nfs/dbraw/zinc/09/54/90/940095490.db2.gz GLPMMYIRGXPTHV-SFHVURJKSA-N 1 1 413.493 4.005 20 5 HIBDMO C[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543524505 940095840 /nfs/dbraw/zinc/09/58/40/940095840.db2.gz VBEBSLROUMJEDE-KRWDZBQOSA-N 1 1 413.493 4.208 20 5 HIBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543558715 940108314 /nfs/dbraw/zinc/10/83/14/940108314.db2.gz HWZFCOLGJFNNAD-RTBURBONSA-N 1 1 412.421 4.136 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000543641588 940146244 /nfs/dbraw/zinc/14/62/44/940146244.db2.gz JLKYZHRMUQLSAL-CQSZACIVSA-N 1 1 402.426 4.099 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543642626 940146846 /nfs/dbraw/zinc/14/68/46/940146846.db2.gz XHMXQMVMKMGLPB-QGZVFWFLSA-N 1 1 400.454 4.110 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000543783824 940185784 /nfs/dbraw/zinc/18/57/84/940185784.db2.gz PCJFMOCHTKMFNF-LBPRGKRZSA-N 1 1 416.384 4.181 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000544030595 940304969 /nfs/dbraw/zinc/30/49/69/940304969.db2.gz JRZSFDUBYDWUNT-UHFFFAOYSA-N 1 1 404.470 4.060 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCOCC3(CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000544347838 940396620 /nfs/dbraw/zinc/39/66/20/940396620.db2.gz VFAZOPCZYCEJPD-UHFFFAOYSA-N 1 1 416.449 4.155 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+]2CCOCC3(CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000544347838 940396624 /nfs/dbraw/zinc/39/66/24/940396624.db2.gz VFAZOPCZYCEJPD-UHFFFAOYSA-N 1 1 416.449 4.155 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000544564445 940480532 /nfs/dbraw/zinc/48/05/32/940480532.db2.gz GIXFKHLHPTWNET-IAGOWNOFSA-N 1 1 406.523 4.419 20 5 HIBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000544590391 940485598 /nfs/dbraw/zinc/48/55/98/940485598.db2.gz LQPQRYIDVUDUBI-QGZVFWFLSA-N 1 1 400.498 4.035 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626250 940493647 /nfs/dbraw/zinc/49/36/47/940493647.db2.gz OEWGPVLEWLFTKT-IEBWSBKVSA-N 1 1 404.438 4.103 20 5 HIBDMO CC[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000544760543 940511452 /nfs/dbraw/zinc/51/14/52/940511452.db2.gz AHGXZAVHFDYQHC-FXAWDEMLSA-N 1 1 421.501 4.302 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000545142444 940549346 /nfs/dbraw/zinc/54/93/46/940549346.db2.gz RMNTWKLUFRFGGG-MOPGFXCFSA-N 1 1 419.884 4.227 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000545142444 940549353 /nfs/dbraw/zinc/54/93/53/940549353.db2.gz RMNTWKLUFRFGGG-MOPGFXCFSA-N 1 1 419.884 4.227 20 5 HIBDMO C[C@H](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000546535501 940846405 /nfs/dbraw/zinc/84/64/05/940846405.db2.gz HMGVLWHBTUDLON-MRXNPFEDSA-N 1 1 401.482 4.038 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000546534542 940846494 /nfs/dbraw/zinc/84/64/94/940846494.db2.gz VTBCNTYQUFLBLU-AEFFLSMTSA-N 1 1 413.493 4.181 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000549161331 941167287 /nfs/dbraw/zinc/16/72/87/941167287.db2.gz BVIDWPDKIXHCFK-HXUWFJFHSA-N 1 1 421.501 4.035 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000549174081 941168469 /nfs/dbraw/zinc/16/84/69/941168469.db2.gz YIWXRXZQKMPRNS-UHFFFAOYSA-N 1 1 404.492 4.078 20 5 HIBDMO CSc1cccc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1[N+](=O)[O-] ZINC000552872807 941794882 /nfs/dbraw/zinc/79/48/82/941794882.db2.gz JDLOWNWVPNVTED-QGZVFWFLSA-N 1 1 411.483 4.171 20 5 HIBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000553528009 941903238 /nfs/dbraw/zinc/90/32/38/941903238.db2.gz HTMODPZRIKQOBO-GOSISDBHSA-N 1 1 422.529 4.153 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553807367 941973888 /nfs/dbraw/zinc/97/38/88/941973888.db2.gz LJWNDUPBVOAQIX-LJQANCHMSA-N 1 1 424.545 4.211 20 5 HIBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000553909431 941996589 /nfs/dbraw/zinc/99/65/89/941996589.db2.gz KWBREEPOPGZZGG-CJNGLKHVSA-N 1 1 407.417 4.225 20 5 HIBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000553909431 941996591 /nfs/dbraw/zinc/99/65/91/941996591.db2.gz KWBREEPOPGZZGG-CJNGLKHVSA-N 1 1 407.417 4.225 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cccc1[N+](=O)[O-] ZINC000553925625 942000663 /nfs/dbraw/zinc/00/06/63/942000663.db2.gz UHIUFKRAHPEQLD-SFHVURJKSA-N 1 1 413.478 4.110 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cccc1[N+](=O)[O-] ZINC000553925625 942000670 /nfs/dbraw/zinc/00/06/70/942000670.db2.gz UHIUFKRAHPEQLD-SFHVURJKSA-N 1 1 413.478 4.110 20 5 HIBDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000555106246 942386674 /nfs/dbraw/zinc/38/66/74/942386674.db2.gz QGNAEWPCRWAKCQ-CQSZACIVSA-N 1 1 402.838 4.160 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000555106246 942386678 /nfs/dbraw/zinc/38/66/78/942386678.db2.gz QGNAEWPCRWAKCQ-CQSZACIVSA-N 1 1 402.838 4.160 20 5 HIBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000556408944 942859047 /nfs/dbraw/zinc/85/90/47/942859047.db2.gz LABVPBHFEGXAME-HNNXBMFYSA-N 1 1 414.483 4.499 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000556615398 942917177 /nfs/dbraw/zinc/91/71/77/942917177.db2.gz WOTMBYNSFSUPKW-UKRRQHHQSA-N 1 1 407.392 4.006 20 5 HIBDMO Cc1cccc(C)c1OC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000557577608 943216594 /nfs/dbraw/zinc/21/65/94/943216594.db2.gz UTRPPTCBQVUZBX-NRFANRHFSA-N 1 1 419.481 4.220 20 5 HIBDMO COc1ccc(NC(=O)CC[N@H+](C)Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 ZINC000558062386 943369630 /nfs/dbraw/zinc/36/96/30/943369630.db2.gz KOAQCBGITJZUIJ-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 ZINC000558062386 943369637 /nfs/dbraw/zinc/36/96/37/943369637.db2.gz KOAQCBGITJZUIJ-UHFFFAOYSA-N 1 1 412.273 4.371 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000558471188 943568434 /nfs/dbraw/zinc/56/84/34/943568434.db2.gz XIMCMOKSKCMKET-NSHDSACASA-N 1 1 410.243 4.094 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558736215 943634999 /nfs/dbraw/zinc/63/49/99/943634999.db2.gz OQIUZLQXWXHJID-KANFNMMFSA-N 1 1 409.486 4.341 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000559248271 943885659 /nfs/dbraw/zinc/88/56/59/943885659.db2.gz QSBNNHVOLGFDLU-LJQANCHMSA-N 1 1 412.383 4.180 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000559248271 943885662 /nfs/dbraw/zinc/88/56/62/943885662.db2.gz QSBNNHVOLGFDLU-LJQANCHMSA-N 1 1 412.383 4.180 20 5 HIBDMO COc1cc(C[N@@H+]2CCOC3(CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560558514 944254978 /nfs/dbraw/zinc/25/49/78/944254978.db2.gz QPHMHSCFAOIARQ-UHFFFAOYSA-N 1 1 412.486 4.327 20 5 HIBDMO COc1cc(C[N@H+]2CCOC3(CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560558514 944254988 /nfs/dbraw/zinc/25/49/88/944254988.db2.gz QPHMHSCFAOIARQ-UHFFFAOYSA-N 1 1 412.486 4.327 20 5 HIBDMO C[N@@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561282842 944539231 /nfs/dbraw/zinc/53/92/31/944539231.db2.gz JYGTUUYHWLSQHJ-DZGCQCFKSA-N 1 1 407.858 4.249 20 5 HIBDMO C[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561282842 944539240 /nfs/dbraw/zinc/53/92/40/944539240.db2.gz JYGTUUYHWLSQHJ-DZGCQCFKSA-N 1 1 407.858 4.249 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000564422470 945574030 /nfs/dbraw/zinc/57/40/30/945574030.db2.gz AUKDMWFCFOIJRO-UXHICEINSA-N 1 1 408.502 4.197 20 5 HIBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000570135515 947113674 /nfs/dbraw/zinc/11/36/74/947113674.db2.gz RXRVRIJXNBEOQM-KRWDZBQOSA-N 1 1 400.454 4.158 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288549 948146766 /nfs/dbraw/zinc/14/67/66/948146766.db2.gz UOHHFPXSMNWBKX-DYVFJYSZSA-N 1 1 400.422 4.459 20 5 HIBDMO CC[C@@](C)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1nccs1 ZINC000574083837 948361301 /nfs/dbraw/zinc/36/13/01/948361301.db2.gz JGSBXVAMINXXOJ-CQSZACIVSA-N 1 1 417.272 4.071 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC001164626144 719103240 /nfs/dbraw/zinc/10/32/40/719103240.db2.gz IGNMGVUPKKSGDD-XXBNENTESA-N 1 1 415.497 4.153 20 5 HIBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164635840 719255398 /nfs/dbraw/zinc/25/53/98/719255398.db2.gz QRZQFPUQEZCMLE-IAGOWNOFSA-N 1 1 406.486 4.251 20 5 HIBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164634601 719257794 /nfs/dbraw/zinc/25/77/94/719257794.db2.gz NGRNHEQUVPNOMA-STQMWFEESA-N 1 1 410.852 4.384 20 5 HIBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164634601 719257796 /nfs/dbraw/zinc/25/77/96/719257796.db2.gz NGRNHEQUVPNOMA-STQMWFEESA-N 1 1 410.852 4.384 20 5 HIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164792841 721494663 /nfs/dbraw/zinc/49/46/63/721494663.db2.gz TXOSGKCJASCXHP-UHFFFAOYSA-N 1 1 417.513 4.419 20 5 HIBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436157895 861457768 /nfs/dbraw/zinc/45/77/68/861457768.db2.gz XLBZGCQYAWXGKX-HNNXBMFYSA-N 1 1 409.505 4.061 20 5 HIBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436295546 861599961 /nfs/dbraw/zinc/59/99/61/861599961.db2.gz RLPJXLOJSVTCJL-MRXNPFEDSA-N 1 1 409.505 4.205 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022994973 846646676 /nfs/dbraw/zinc/64/66/76/846646676.db2.gz XKRWQQCPWVVPNE-UHFFFAOYSA-N 1 1 423.435 4.330 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000026214294 847103703 /nfs/dbraw/zinc/10/37/03/847103703.db2.gz SZPMPPAXABBDSX-CYBMUJFWSA-N 1 1 406.280 4.125 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000026214294 847103709 /nfs/dbraw/zinc/10/37/09/847103709.db2.gz SZPMPPAXABBDSX-CYBMUJFWSA-N 1 1 406.280 4.125 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2cccc(Br)c2)C2CC2)c2c(c1)COCO2 ZINC000026446343 847146114 /nfs/dbraw/zinc/14/61/14/847146114.db2.gz MJWIFDYMRJJUTF-UHFFFAOYSA-N 1 1 419.275 4.388 20 5 HIBDMO O=[N+]([O-])c1cc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)c2c(c1)COCO2 ZINC000026446343 847146119 /nfs/dbraw/zinc/14/61/19/847146119.db2.gz MJWIFDYMRJJUTF-UHFFFAOYSA-N 1 1 419.275 4.388 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000027498350 847313530 /nfs/dbraw/zinc/31/35/30/847313530.db2.gz JDRJPOTXRVORKV-QAPCUYQASA-N 1 1 403.504 4.012 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)NCc2ccccc2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000029694523 847601049 /nfs/dbraw/zinc/60/10/49/847601049.db2.gz OXOOCELPNFMJAK-SFHVURJKSA-N 1 1 410.518 4.006 20 5 HIBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000041400532 848212632 /nfs/dbraw/zinc/21/26/32/848212632.db2.gz JKMWMRCQLJDPBU-SFHVURJKSA-N 1 1 408.285 4.469 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043149532 848390705 /nfs/dbraw/zinc/39/07/05/848390705.db2.gz KNBCLKMVVKKRGW-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043149532 848390709 /nfs/dbraw/zinc/39/07/09/848390709.db2.gz KNBCLKMVVKKRGW-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043342255 848411216 /nfs/dbraw/zinc/41/12/16/848411216.db2.gz GNIJKXSKHITMDG-UHFFFAOYSA-N 1 1 402.882 4.296 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000045780072 848726510 /nfs/dbraw/zinc/72/65/10/848726510.db2.gz QAVHFDFBLDQNLL-SFHVURJKSA-N 1 1 410.518 4.311 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000045787972 848729044 /nfs/dbraw/zinc/72/90/44/848729044.db2.gz KGQZUHLYOLTYGO-SFHVURJKSA-N 1 1 410.518 4.168 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133710 849436068 /nfs/dbraw/zinc/43/60/68/849436068.db2.gz OJLDCAINXQPFOU-AUSIDOKSSA-N 1 1 411.502 4.332 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053111159 849667047 /nfs/dbraw/zinc/66/70/47/849667047.db2.gz ISELTMFWFNSSRE-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053111159 849667060 /nfs/dbraw/zinc/66/70/60/849667060.db2.gz ISELTMFWFNSSRE-GFCCVEGCSA-N 1 1 411.380 4.081 20 5 HIBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000054396515 849860790 /nfs/dbraw/zinc/86/07/90/849860790.db2.gz SUBAXRKVBSQKSZ-GFCCVEGCSA-N 1 1 407.392 4.438 20 5 HIBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000054396515 849860791 /nfs/dbraw/zinc/86/07/91/849860791.db2.gz SUBAXRKVBSQKSZ-GFCCVEGCSA-N 1 1 407.392 4.438 20 5 HIBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]Cc2nnc3ccccn32)cc1 ZINC000061029234 851278106 /nfs/dbraw/zinc/27/81/06/851278106.db2.gz MTGZNFYJJZFZDH-UHFFFAOYSA-N 1 1 409.833 4.373 20 5 HIBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000063726303 851749312 /nfs/dbraw/zinc/74/93/12/851749312.db2.gz QIYDWLOKIIZIAY-HDICACEKSA-N 1 1 416.566 4.024 20 5 HIBDMO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000063756348 851756467 /nfs/dbraw/zinc/75/64/67/851756467.db2.gz ARTKBDNMVIGBRM-ZWKOTPCHSA-N 1 1 410.518 4.057 20 5 HIBDMO COc1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(OC)cc1Cl ZINC000064350144 851876803 /nfs/dbraw/zinc/87/68/03/851876803.db2.gz RVCVXAOVMCWKNR-UHFFFAOYSA-N 1 1 421.881 4.115 20 5 HIBDMO COc1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(OC)cc1Cl ZINC000064350144 851876806 /nfs/dbraw/zinc/87/68/06/851876806.db2.gz RVCVXAOVMCWKNR-UHFFFAOYSA-N 1 1 421.881 4.115 20 5 HIBDMO CC(C)[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350487 851877862 /nfs/dbraw/zinc/87/78/62/851877862.db2.gz KXOLXNDQGGMLNL-UHFFFAOYSA-N 1 1 406.280 4.206 20 5 HIBDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350487 851877868 /nfs/dbraw/zinc/87/78/68/851877868.db2.gz KXOLXNDQGGMLNL-UHFFFAOYSA-N 1 1 406.280 4.206 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000068711891 852367801 /nfs/dbraw/zinc/36/78/01/852367801.db2.gz WZXWVSQWXRXBBV-KRWDZBQOSA-N 1 1 416.909 4.074 20 5 HIBDMO CC[N@@H+](CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000078454527 852515954 /nfs/dbraw/zinc/51/59/54/852515954.db2.gz OQQNSYGIWYTMEC-UHFFFAOYSA-N 1 1 403.866 4.255 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C2CC2)cc1 ZINC000096981768 852568019 /nfs/dbraw/zinc/56/80/19/852568019.db2.gz PAQFBOVEUWPULP-OAHLLOKOSA-N 1 1 408.458 4.454 20 5 HIBDMO CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000107584785 852779109 /nfs/dbraw/zinc/77/91/09/852779109.db2.gz XGDGICLWAWLOBS-KRWDZBQOSA-N 1 1 411.502 4.155 20 5 HIBDMO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000107699064 852787344 /nfs/dbraw/zinc/78/73/44/852787344.db2.gz BDMQWSLTEFNPCL-UHFFFAOYSA-N 1 1 416.481 4.169 20 5 HIBDMO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000108529147 852856748 /nfs/dbraw/zinc/85/67/48/852856748.db2.gz UZROEGGBBKUUAJ-UHFFFAOYSA-N 1 1 421.419 4.316 20 5 HIBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc(Br)cc3[N+](=O)[O-])c2)CCO1 ZINC000110459666 853102505 /nfs/dbraw/zinc/10/25/05/853102505.db2.gz YLSXCJFNMBLESG-AWEZNQCLSA-N 1 1 420.307 4.190 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc(Br)cc3[N+](=O)[O-])c2)CCO1 ZINC000110459666 853102508 /nfs/dbraw/zinc/10/25/08/853102508.db2.gz YLSXCJFNMBLESG-AWEZNQCLSA-N 1 1 420.307 4.190 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CC[N@H+](C4CC4)C3)o2)c(Br)c1 ZINC000236569219 853899846 /nfs/dbraw/zinc/89/98/46/853899846.db2.gz LJVPTTXDEUADKN-ZDUSSCGKSA-N 1 1 420.307 4.191 20 5 HIBDMO CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 ZINC000236895744 853934265 /nfs/dbraw/zinc/93/42/65/853934265.db2.gz GKLDALVVBNIASO-UHFFFAOYSA-N 1 1 423.469 4.293 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000237202617 853981223 /nfs/dbraw/zinc/98/12/23/853981223.db2.gz PYRQCTUDUPCOFU-UHFFFAOYSA-N 1 1 415.453 4.141 20 5 HIBDMO COc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237321565 854006138 /nfs/dbraw/zinc/00/61/38/854006138.db2.gz LAIDOPRNIADLMO-UHFFFAOYSA-N 1 1 413.518 4.145 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+][C@H](c3nnc4ccccn43)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000237422962 854030053 /nfs/dbraw/zinc/03/00/53/854030053.db2.gz IQDLQMBVILSOOI-NRFANRHFSA-N 1 1 421.457 4.393 20 5 HIBDMO C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000237598076 854060708 /nfs/dbraw/zinc/06/07/08/854060708.db2.gz SHSDKORPJOTAEY-MRXNPFEDSA-N 1 1 408.527 4.255 20 5 HIBDMO C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1CCc2ccccc2C1 ZINC000237598076 854060710 /nfs/dbraw/zinc/06/07/10/854060710.db2.gz SHSDKORPJOTAEY-MRXNPFEDSA-N 1 1 408.527 4.255 20 5 HIBDMO Cc1ccc([C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237643900 854066654 /nfs/dbraw/zinc/06/66/54/854066654.db2.gz FWRKQBHHPWCZCY-QHCPKHFHSA-N 1 1 424.522 4.494 20 5 HIBDMO Cc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237895193 854115652 /nfs/dbraw/zinc/11/56/52/854115652.db2.gz ABNFVRTWBABQJD-QHCPKHFHSA-N 1 1 424.522 4.494 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccc(Cn4cccn4)c3)cs2)c1 ZINC000238009262 854132560 /nfs/dbraw/zinc/13/25/60/854132560.db2.gz KOSQBCAQDVEGLD-UHFFFAOYSA-N 1 1 405.483 4.253 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CNCCC[N@H+]3CCc4ccccc4C3)cs2)c1 ZINC000238006237 854133028 /nfs/dbraw/zinc/13/30/28/854133028.db2.gz QBPCYVKGQAUHPU-UHFFFAOYSA-N 1 1 408.527 4.256 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000238011560 854133862 /nfs/dbraw/zinc/13/38/62/854133862.db2.gz VMPDVWSCHFVMAM-UHFFFAOYSA-N 1 1 424.464 4.385 20 5 HIBDMO O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)Nc1ccccc1 ZINC000301102082 854296817 /nfs/dbraw/zinc/29/68/17/854296817.db2.gz YWWMKVAENINTDK-UHFFFAOYSA-N 1 1 422.407 4.129 20 5 HIBDMO Cc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000301294382 854350687 /nfs/dbraw/zinc/35/06/87/854350687.db2.gz QVEAQZGRULPKGA-WMLDXEAASA-N 1 1 411.428 4.151 20 5 HIBDMO O=[N+]([O-])c1ccc(NCCc2[nH+]ccn2Cc2ccccc2)c(Br)c1 ZINC000301350514 854368292 /nfs/dbraw/zinc/36/82/92/854368292.db2.gz MKOJNEHGPBAOOJ-UHFFFAOYSA-N 1 1 401.264 4.257 20 5 HIBDMO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)[NH+]1CCCC1 ZINC000301534767 854415262 /nfs/dbraw/zinc/41/52/62/854415262.db2.gz MHBDXIRMGKRCTK-MRXNPFEDSA-N 1 1 421.295 4.010 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000301551007 854419193 /nfs/dbraw/zinc/41/91/93/854419193.db2.gz GWKATICPVYWHQG-NSHDSACASA-N 1 1 402.252 4.420 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301687142 854445337 /nfs/dbraw/zinc/44/53/37/854445337.db2.gz VYIPKZWHZBFZCP-AWEZNQCLSA-N 1 1 411.344 4.233 20 5 HIBDMO Cn1c2ccc(Nc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000301889728 854486162 /nfs/dbraw/zinc/48/61/62/854486162.db2.gz SVGGBYFWSLPYNT-UHFFFAOYSA-N 1 1 422.413 4.099 20 5 HIBDMO Cc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)[nH+]c1 ZINC000302162531 854539564 /nfs/dbraw/zinc/53/95/64/854539564.db2.gz HVLHBPVIYBDPCY-UHFFFAOYSA-N 1 1 419.485 4.353 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000303418720 854920847 /nfs/dbraw/zinc/92/08/47/854920847.db2.gz CCSAPNFPLSFZIV-AYHJJNSGSA-N 1 1 411.527 4.242 20 5 HIBDMO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000303788751 855198770 /nfs/dbraw/zinc/19/87/70/855198770.db2.gz UPHQNUJRUCUYJK-YLJYHZDGSA-N 1 1 411.502 4.119 20 5 HIBDMO CC(C)(CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000425989592 856033657 /nfs/dbraw/zinc/03/36/57/856033657.db2.gz TWNQSDNLKCDSPZ-UHFFFAOYSA-N 1 1 422.529 4.106 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000437465980 862827972 /nfs/dbraw/zinc/82/79/72/862827972.db2.gz HRNURRAGCWIWSL-ZWKOTPCHSA-N 1 1 413.543 4.198 20 5 HIBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])C[C@H]2C1 ZINC000427785851 856952842 /nfs/dbraw/zinc/95/28/42/856952842.db2.gz XFDXUPPIWROURU-OKILXGFUSA-N 1 1 417.918 4.033 20 5 HIBDMO CSC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286582 857591932 /nfs/dbraw/zinc/59/19/32/857591932.db2.gz SDKRPYJRCNWXIY-KBPBESRZSA-N 1 1 420.560 4.120 20 5 HIBDMO CSC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286582 857591943 /nfs/dbraw/zinc/59/19/43/857591943.db2.gz SDKRPYJRCNWXIY-KBPBESRZSA-N 1 1 420.560 4.120 20 5 HIBDMO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(OCC)c3)CC2)n1 ZINC000429555635 857747121 /nfs/dbraw/zinc/74/71/21/857747121.db2.gz BAHHOMUMRLAUAL-UHFFFAOYSA-N 1 1 419.503 4.006 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000430213284 858084411 /nfs/dbraw/zinc/08/44/11/858084411.db2.gz SSCURAAXTFCFDQ-FQEVSTJZSA-N 1 1 415.877 4.205 20 5 HIBDMO C[C@H](c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000431174321 858487066 /nfs/dbraw/zinc/48/70/66/858487066.db2.gz BCGRMDMOIDCTTF-MRXNPFEDSA-N 1 1 412.490 4.045 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000431671304 858729087 /nfs/dbraw/zinc/72/90/87/858729087.db2.gz SWGFQQBPDZHWQK-XLIONFOSSA-N 1 1 410.518 4.182 20 5 HIBDMO CCc1nc(C[NH+]2CCC(CNc3ccnc4c3cccc4[N+](=O)[O-])CC2)cs1 ZINC000432307563 859096345 /nfs/dbraw/zinc/09/63/45/859096345.db2.gz NKMJMHKOPULVMI-UHFFFAOYSA-N 1 1 411.531 4.486 20 5 HIBDMO C[C@H]1C[N@@H+](CCCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432347425 859113785 /nfs/dbraw/zinc/11/37/85/859113785.db2.gz NHEUBZPLPOBONM-KRWDZBQOSA-N 1 1 417.481 4.117 20 5 HIBDMO C[C@H]1CN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432347425 859113790 /nfs/dbraw/zinc/11/37/90/859113790.db2.gz NHEUBZPLPOBONM-KRWDZBQOSA-N 1 1 417.481 4.117 20 5 HIBDMO CCOc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000433047282 859498783 /nfs/dbraw/zinc/49/87/83/859498783.db2.gz WSEZDLDWOJKQDD-QFBILLFUSA-N 1 1 416.522 4.198 20 5 HIBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000434317331 860278108 /nfs/dbraw/zinc/27/81/08/860278108.db2.gz PSRRUEVVZFCCQF-IBGZPJMESA-N 1 1 419.485 4.107 20 5 HIBDMO C[N@H+](CCOc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434835816 860513673 /nfs/dbraw/zinc/51/36/73/860513673.db2.gz GUGRHKICGHPJGW-UHFFFAOYSA-N 1 1 406.236 4.009 20 5 HIBDMO C[N@@H+](CCOc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434835816 860513680 /nfs/dbraw/zinc/51/36/80/860513680.db2.gz GUGRHKICGHPJGW-UHFFFAOYSA-N 1 1 406.236 4.009 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)nc2c1 ZINC000435028450 860605899 /nfs/dbraw/zinc/60/58/99/860605899.db2.gz UYOBPPSLGRZGKH-QHCPKHFHSA-N 1 1 406.486 4.224 20 5 HIBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000435326463 860737433 /nfs/dbraw/zinc/73/74/33/860737433.db2.gz DAFRZTKHTGJLBR-SMDDNHRTSA-N 1 1 413.316 4.002 20 5 HIBDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000435541415 860856355 /nfs/dbraw/zinc/85/63/55/860856355.db2.gz YFAZWRDVCUAFKC-QGZVFWFLSA-N 1 1 420.513 4.193 20 5 HIBDMO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437835931 863188828 /nfs/dbraw/zinc/18/88/28/863188828.db2.gz BROXYVCBUVTQRV-HXUWFJFHSA-N 1 1 417.553 4.068 20 5 HIBDMO C[C@@H](CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000437973315 863341637 /nfs/dbraw/zinc/34/16/37/863341637.db2.gz YVCWUXIFPBSCAP-SFHVURJKSA-N 1 1 410.518 4.179 20 5 HIBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000439419429 864825741 /nfs/dbraw/zinc/82/57/41/864825741.db2.gz KVAVYDOVJCZWQP-UHFFFAOYSA-N 1 1 411.502 4.075 20 5 HIBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000439419429 864825742 /nfs/dbraw/zinc/82/57/42/864825742.db2.gz KVAVYDOVJCZWQP-UHFFFAOYSA-N 1 1 411.502 4.075 20 5 HIBDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000439471756 864843534 /nfs/dbraw/zinc/84/35/34/864843534.db2.gz QHQDSYHEDKFDHN-KSFYIVLOSA-N 1 1 413.474 4.194 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000439519241 864861046 /nfs/dbraw/zinc/86/10/46/864861046.db2.gz HQSPNCIJDBKZEI-HNNXBMFYSA-N 1 1 401.772 4.470 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000439883903 865194895 /nfs/dbraw/zinc/19/48/95/865194895.db2.gz VGKFJGSHJGETTK-KUHUBIRLSA-N 1 1 418.519 4.260 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000440431332 865733331 /nfs/dbraw/zinc/73/33/31/865733331.db2.gz WMHJECKLYAVVTD-QGZVFWFLSA-N 1 1 411.483 4.372 20 5 HIBDMO C[C@H](OC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441257021 866330901 /nfs/dbraw/zinc/33/09/01/866330901.db2.gz ANMSANZZOVISGC-MGPUTAFESA-N 1 1 404.894 4.351 20 5 HIBDMO COc1ccc(OCC[N@H+](C)Cc2cc(Br)ccc2F)c([N+](=O)[O-])c1 ZINC000441276682 866351283 /nfs/dbraw/zinc/35/12/83/866351283.db2.gz IKJQPCSVLXHTJX-UHFFFAOYSA-N 1 1 413.243 4.016 20 5 HIBDMO COc1ccc(OCC[N@@H+](C)Cc2cc(Br)ccc2F)c([N+](=O)[O-])c1 ZINC000441276682 866351299 /nfs/dbraw/zinc/35/12/99/866351299.db2.gz IKJQPCSVLXHTJX-UHFFFAOYSA-N 1 1 413.243 4.016 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000444175544 868650744 /nfs/dbraw/zinc/65/07/44/868650744.db2.gz KRIGBKZGVAEEIO-LIRRHRJNSA-N 1 1 401.438 4.154 20 5 HIBDMO Cc1ccc(C)c([C@@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[C@H](C)CO2)c1 ZINC000444199778 868661870 /nfs/dbraw/zinc/66/18/70/868661870.db2.gz SAGKRHIJXQMVLK-VGSWGCGISA-N 1 1 411.502 4.311 20 5 HIBDMO Cc1ccc(C)c([C@@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[C@H](C)CO2)c1 ZINC000444199778 868661880 /nfs/dbraw/zinc/66/18/80/868661880.db2.gz SAGKRHIJXQMVLK-VGSWGCGISA-N 1 1 411.502 4.311 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444597735 868897181 /nfs/dbraw/zinc/89/71/81/868897181.db2.gz ORIWWFAIKJCRNQ-UHFFFAOYSA-N 1 1 408.437 4.065 20 5 HIBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000444929433 869113479 /nfs/dbraw/zinc/11/34/79/869113479.db2.gz YDGYZYOUQVOVBK-QFBILLFUSA-N 1 1 412.490 4.293 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[N@H+]1Cc1ccccc1 ZINC000444990853 869148128 /nfs/dbraw/zinc/14/81/28/869148128.db2.gz JQJBOVLBLYISRC-PKOBYXMFSA-N 1 1 411.505 4.074 20 5 HIBDMO C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000445165168 869253697 /nfs/dbraw/zinc/25/36/97/869253697.db2.gz YQXQWDAYVFSJIN-IAGOWNOFSA-N 1 1 403.526 4.064 20 5 HIBDMO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccco1 ZINC000445191497 869267703 /nfs/dbraw/zinc/26/77/03/869267703.db2.gz XMQAYYNIELWKHU-FQEVSTJZSA-N 1 1 403.482 4.087 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445489635 869559774 /nfs/dbraw/zinc/55/97/74/869559774.db2.gz FAQLTMZHMJUQHG-SFHVURJKSA-N 1 1 422.529 4.237 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000445493533 869562214 /nfs/dbraw/zinc/56/22/14/869562214.db2.gz PMKKPJUGYBBOQJ-SFHVURJKSA-N 1 1 422.529 4.095 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000446487792 870401035 /nfs/dbraw/zinc/40/10/35/870401035.db2.gz FUKJVFFPWITKEX-DENIHFKCSA-N 1 1 408.502 4.422 20 5 HIBDMO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833885 870749350 /nfs/dbraw/zinc/74/93/50/870749350.db2.gz IEEQKFKOCOXQLX-UHFFFAOYSA-N 1 1 404.474 4.244 20 5 HIBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc4ccccc4nc3N3CCCCC3)nc2c1 ZINC000446838347 870756310 /nfs/dbraw/zinc/75/63/10/870756310.db2.gz HMOITZYKSNQLKF-UHFFFAOYSA-N 1 1 416.485 4.299 20 5 HIBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)n1 ZINC000446975190 870873719 /nfs/dbraw/zinc/87/37/19/870873719.db2.gz PUYWSUFRDHJLEK-OAHLLOKOSA-N 1 1 413.503 4.152 20 5 HIBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000447343107 871241492 /nfs/dbraw/zinc/24/14/92/871241492.db2.gz XSEBNPGQGDFNJH-QHCPKHFHSA-N 1 1 423.444 4.450 20 5 HIBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000447421613 871326193 /nfs/dbraw/zinc/32/61/93/871326193.db2.gz HOFFBPSPCVMTGU-UHFFFAOYSA-N 1 1 415.409 4.007 20 5 HIBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000448424170 872375317 /nfs/dbraw/zinc/37/53/17/872375317.db2.gz DVGZFYARVITTKP-UHFFFAOYSA-N 1 1 420.469 4.216 20 5 HIBDMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448450635 872396548 /nfs/dbraw/zinc/39/65/48/872396548.db2.gz VKUCVRAISDJMCE-VGOFRKELSA-N 1 1 421.497 4.476 20 5 HIBDMO CC[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000460497091 873183339 /nfs/dbraw/zinc/18/33/39/873183339.db2.gz RXJFIXLOTQFTNI-FUDKSRODSA-N 1 1 422.529 4.209 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462621720 875733259 /nfs/dbraw/zinc/73/32/59/875733259.db2.gz RZDKCRBPAVSZKU-UGKGYDQZSA-N 1 1 409.530 4.287 20 5 HIBDMO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000463056938 876085062 /nfs/dbraw/zinc/08/50/62/876085062.db2.gz NYZVZNPHHLFMOV-GOSISDBHSA-N 1 1 416.524 4.199 20 5 HIBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463093668 876126245 /nfs/dbraw/zinc/12/62/45/876126245.db2.gz NFYUQXZPUIADSR-MRXNPFEDSA-N 1 1 407.392 4.008 20 5 HIBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000463473880 876533890 /nfs/dbraw/zinc/53/38/90/876533890.db2.gz YPPWKJPHIRKACU-INIZCTEOSA-N 1 1 415.799 4.300 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463980442 877111087 /nfs/dbraw/zinc/11/10/87/877111087.db2.gz ZCUVFGDTJWIQAK-IBGZPJMESA-N 1 1 411.506 4.125 20 5 HIBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000464340846 877530616 /nfs/dbraw/zinc/53/06/16/877530616.db2.gz LFEGLSIIXITFMV-NRFANRHFSA-N 1 1 422.529 4.201 20 5 HIBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000464340858 877530760 /nfs/dbraw/zinc/53/07/60/877530760.db2.gz LFEGLSIIXITFMV-OAQYLSRUSA-N 1 1 422.529 4.201 20 5 HIBDMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1)C1CC1 ZINC000464637286 877855173 /nfs/dbraw/zinc/85/51/73/877855173.db2.gz ZDWJFUNYLKYBDF-UHFFFAOYSA-N 1 1 423.513 4.263 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000464733595 877969891 /nfs/dbraw/zinc/96/98/91/877969891.db2.gz JWLSPUXNVSHIPC-AUUYWEPGSA-N 1 1 401.438 4.154 20 5 HIBDMO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464769953 878013070 /nfs/dbraw/zinc/01/30/70/878013070.db2.gz ANYCRLDYDDPZMH-OAHLLOKOSA-N 1 1 415.515 4.187 20 5 HIBDMO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464770457 878013452 /nfs/dbraw/zinc/01/34/52/878013452.db2.gz BFRZQJKLDRZAIE-JOCHJYFZSA-N 1 1 411.502 4.048 20 5 HIBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000466589621 880362189 /nfs/dbraw/zinc/36/21/89/880362189.db2.gz ZPJXUCOYEIHSAQ-CQSZACIVSA-N 1 1 422.938 4.021 20 5 HIBDMO CCc1ccc([C@@H]([NH2+]CCN2CCc3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000467430309 881225303 /nfs/dbraw/zinc/22/53/03/881225303.db2.gz UAFZVRIJCNHJAJ-QHCPKHFHSA-N 1 1 419.481 4.128 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000467451360 881255100 /nfs/dbraw/zinc/25/51/00/881255100.db2.gz UDTYZXFKWOWNHQ-YJBOKZPZSA-N 1 1 416.909 4.101 20 5 HIBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000469931794 884125316 /nfs/dbraw/zinc/12/53/16/884125316.db2.gz YRNVRLZQYHPCQP-HNNXBMFYSA-N 1 1 422.407 4.257 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470117067 884378254 /nfs/dbraw/zinc/37/82/54/884378254.db2.gz JFQJZJGASSSAQK-KRWDZBQOSA-N 1 1 400.454 4.110 20 5 HIBDMO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000470610681 885037217 /nfs/dbraw/zinc/03/72/17/885037217.db2.gz FILCPJXYLHFKAD-NQIIRXRSSA-N 1 1 410.518 4.004 20 5 HIBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471288183 885872684 /nfs/dbraw/zinc/87/26/84/885872684.db2.gz QUSPGLHOVPCOAK-GOSISDBHSA-N 1 1 413.543 4.349 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474220090 889058221 /nfs/dbraw/zinc/05/82/21/889058221.db2.gz SGZHKCOZOHNGJH-SFHVURJKSA-N 1 1 424.457 4.300 20 5 HIBDMO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270344 890167085 /nfs/dbraw/zinc/16/70/85/890167085.db2.gz RXRXFZNFWHMKPH-MWTRTKDXSA-N 1 1 412.486 4.182 20 5 HIBDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270344 890167107 /nfs/dbraw/zinc/16/71/07/890167107.db2.gz RXRXFZNFWHMKPH-MWTRTKDXSA-N 1 1 412.486 4.182 20 5 HIBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475374715 890304721 /nfs/dbraw/zinc/30/47/21/890304721.db2.gz QSYXIEFVBDYXSI-KBXCAEBGSA-N 1 1 402.422 4.157 20 5 HIBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475374715 890304737 /nfs/dbraw/zinc/30/47/37/890304737.db2.gz QSYXIEFVBDYXSI-KBXCAEBGSA-N 1 1 402.422 4.157 20 5 HIBDMO CCOc1cc(N2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)ccc1[N+](=O)[O-] ZINC000475483753 890390910 /nfs/dbraw/zinc/39/09/10/890390910.db2.gz AQGIQWDVMMBDHV-UHFFFAOYSA-N 1 1 410.449 4.003 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccoc2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000475705732 890643780 /nfs/dbraw/zinc/64/37/80/890643780.db2.gz WCPCONPFTPUMBE-UHFFFAOYSA-N 1 1 402.447 4.075 20 5 HIBDMO CCOc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000478341506 893585335 /nfs/dbraw/zinc/58/53/35/893585335.db2.gz LXHGMQCNVDWFFK-QGZVFWFLSA-N 1 1 403.523 4.110 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478626746 893883783 /nfs/dbraw/zinc/88/37/83/893883783.db2.gz YJDJFDYVZZTLHT-LJQANCHMSA-N 1 1 416.566 4.290 20 5 HIBDMO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000480461747 895846252 /nfs/dbraw/zinc/84/62/52/895846252.db2.gz AJRXPYGULJEKRG-OAQYLSRUSA-N 1 1 405.454 4.054 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000481516983 896884443 /nfs/dbraw/zinc/88/44/43/896884443.db2.gz OIXQVUGXDRCVCY-COPCDDAFSA-N 1 1 411.502 4.066 20 5 HIBDMO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000481545919 896907286 /nfs/dbraw/zinc/90/72/86/896907286.db2.gz RUSJYFXKQLAYJM-XIKOKIGWSA-N 1 1 402.838 4.164 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000481626681 897011344 /nfs/dbraw/zinc/01/13/44/897011344.db2.gz OBYFXEBDYCLLGA-INIZCTEOSA-N 1 1 406.486 4.381 20 5 HIBDMO CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481874352 897247468 /nfs/dbraw/zinc/24/74/68/897247468.db2.gz LTBCTRLHGNNWAQ-LEWJYISDSA-N 1 1 423.513 4.120 20 5 HIBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481893022 897269907 /nfs/dbraw/zinc/26/99/07/897269907.db2.gz SHPGTWRCIYFYSB-JTHBVZDNSA-N 1 1 407.514 4.041 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000481983364 897377684 /nfs/dbraw/zinc/37/76/84/897377684.db2.gz KTUJQHXOSGIZJS-AZUAARDMSA-N 1 1 408.502 4.076 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000482018190 897420637 /nfs/dbraw/zinc/42/06/37/897420637.db2.gz UOZDEKGAGHFGDU-UHFFFAOYSA-N 1 1 417.506 4.194 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000482018190 897420645 /nfs/dbraw/zinc/42/06/45/897420645.db2.gz UOZDEKGAGHFGDU-UHFFFAOYSA-N 1 1 417.506 4.194 20 5 HIBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496668 898077037 /nfs/dbraw/zinc/07/70/37/898077037.db2.gz RWYKYFOTBCFLJZ-GOEBONIOSA-N 1 1 422.865 4.051 20 5 HIBDMO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709883 898309994 /nfs/dbraw/zinc/30/99/94/898309994.db2.gz UOFSKMJVGTZUHO-DLBZAZTESA-N 1 1 403.548 4.067 20 5 HIBDMO Cc1cccc(CC2(O)CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000482953412 898581816 /nfs/dbraw/zinc/58/18/16/898581816.db2.gz YQTATTHTWNIAQQ-UHFFFAOYSA-N 1 1 407.470 4.128 20 5 HIBDMO O=[N+]([O-])c1cccc(F)c1CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505590010 914296665 /nfs/dbraw/zinc/29/66/65/914296665.db2.gz JNEAKNSAHKKKAY-UHFFFAOYSA-N 1 1 411.399 4.461 20 5 HIBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483591028 899241222 /nfs/dbraw/zinc/24/12/22/899241222.db2.gz XQZZNHIBVQSQQQ-WZONZLPQSA-N 1 1 418.497 4.203 20 5 HIBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483591025 899241335 /nfs/dbraw/zinc/24/13/35/899241335.db2.gz XQZZNHIBVQSQQQ-MBSDFSHPSA-N 1 1 418.497 4.203 20 5 HIBDMO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000483648300 899304928 /nfs/dbraw/zinc/30/49/28/899304928.db2.gz VAYRADCKUHQBNF-HUUCEWRRSA-N 1 1 423.473 4.275 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000484012081 899646928 /nfs/dbraw/zinc/64/69/28/899646928.db2.gz IFQJYFAYLWQDQV-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000484012081 899646935 /nfs/dbraw/zinc/64/69/35/899646935.db2.gz IFQJYFAYLWQDQV-UHFFFAOYSA-N 1 1 418.291 4.053 20 5 HIBDMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000484791049 900197597 /nfs/dbraw/zinc/19/75/97/900197597.db2.gz MOBKTVGKVVBBPO-FQEVSTJZSA-N 1 1 407.495 4.186 20 5 HIBDMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000484791049 900197600 /nfs/dbraw/zinc/19/76/00/900197600.db2.gz MOBKTVGKVVBBPO-FQEVSTJZSA-N 1 1 407.495 4.186 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000485162877 900461917 /nfs/dbraw/zinc/46/19/17/900461917.db2.gz SGVIZEYNHIHGRK-FXAWDEMLSA-N 1 1 410.518 4.056 20 5 HIBDMO CC(C)(CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000485280833 900559193 /nfs/dbraw/zinc/55/91/93/900559193.db2.gz COPIOXWYLOZRGG-UHFFFAOYSA-N 1 1 422.529 4.106 20 5 HIBDMO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497910 900786964 /nfs/dbraw/zinc/78/69/64/900786964.db2.gz VUKZJANHOFIVRA-DOTOQJQBSA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497910 900786972 /nfs/dbraw/zinc/78/69/72/900786972.db2.gz VUKZJANHOFIVRA-DOTOQJQBSA-N 1 1 405.907 4.145 20 5 HIBDMO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000485881666 901117834 /nfs/dbraw/zinc/11/78/34/901117834.db2.gz GHPLNCHEGDUZGH-DOTOQJQBSA-N 1 1 417.456 4.100 20 5 HIBDMO CSc1cccc(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000486237146 901419153 /nfs/dbraw/zinc/41/91/53/901419153.db2.gz WVZLTEMUFNRLPU-HUUCEWRRSA-N 1 1 415.515 4.178 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1SC ZINC000505906927 914548904 /nfs/dbraw/zinc/54/89/04/914548904.db2.gz QHXGOSZKCRGLTC-JKSUJKDBSA-N 1 1 421.563 4.052 20 5 HIBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(Cl)c1 ZINC000486446589 901605004 /nfs/dbraw/zinc/60/50/04/901605004.db2.gz OEQMPVDZIXNVDO-FOIQADDNSA-N 1 1 402.882 4.137 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000486615749 901750206 /nfs/dbraw/zinc/75/02/06/901750206.db2.gz PXQBSTXDMNRBAI-HNNXBMFYSA-N 1 1 419.572 4.410 20 5 HIBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486888597 901934426 /nfs/dbraw/zinc/93/44/26/901934426.db2.gz SHCJUJPOKBXGDF-ZBFHGGJFSA-N 1 1 402.882 4.280 20 5 HIBDMO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487185566 902090841 /nfs/dbraw/zinc/09/08/41/902090841.db2.gz MGFGXHMEEWMVJP-KNQAVFIVSA-N 1 1 424.545 4.127 20 5 HIBDMO COc1ccc(-c2noc([C@H](C)[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 ZINC000489869173 903642225 /nfs/dbraw/zinc/64/22/25/903642225.db2.gz GKKVARZOCNOZIO-HNNXBMFYSA-N 1 1 424.457 4.258 20 5 HIBDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490072267 903759102 /nfs/dbraw/zinc/75/91/02/903759102.db2.gz ARJVVVKLMWRDLP-LJQANCHMSA-N 1 1 405.882 4.205 20 5 HIBDMO COc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491067378 904409136 /nfs/dbraw/zinc/40/91/36/904409136.db2.gz PXGBATRPHYZFDR-UHFFFAOYSA-N 1 1 402.438 4.027 20 5 HIBDMO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491093562 904425275 /nfs/dbraw/zinc/42/52/75/904425275.db2.gz VGCCMLSOICHCLP-IBGZPJMESA-N 1 1 403.841 4.335 20 5 HIBDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000491150033 904458678 /nfs/dbraw/zinc/45/86/78/904458678.db2.gz UMNFXPJDZUXVBF-HNNXBMFYSA-N 1 1 422.428 4.245 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4nnc5ccccn54)C3)cs2)c1 ZINC000506127335 914814198 /nfs/dbraw/zinc/81/41/98/914814198.db2.gz ZFEGDCIGWAKFRT-MRXNPFEDSA-N 1 1 420.498 4.141 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000492265260 904825669 /nfs/dbraw/zinc/82/56/69/904825669.db2.gz DGIWKEQIACLOOV-MJGOQNOKSA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000492265260 904825671 /nfs/dbraw/zinc/82/56/71/904825671.db2.gz DGIWKEQIACLOOV-MJGOQNOKSA-N 1 1 401.894 4.087 20 5 HIBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@H]2C1 ZINC000493560478 905163781 /nfs/dbraw/zinc/16/37/81/905163781.db2.gz XCTFUEFPRNWACT-KUHUBIRLSA-N 1 1 415.877 4.207 20 5 HIBDMO COc1cc(C[NH2+]Cc2cc(F)ccc2SC)c([N+](=O)[O-])cc1OCC(F)F ZINC000493767346 905213511 /nfs/dbraw/zinc/21/35/11/905213511.db2.gz SCVPZLRDSCTABP-UHFFFAOYSA-N 1 1 416.421 4.398 20 5 HIBDMO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494129136 905474035 /nfs/dbraw/zinc/47/40/35/905474035.db2.gz WJDRGRPLQVOAOW-ICSRJNTNSA-N 1 1 403.429 4.135 20 5 HIBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494129136 905474045 /nfs/dbraw/zinc/47/40/45/905474045.db2.gz WJDRGRPLQVOAOW-ICSRJNTNSA-N 1 1 403.429 4.135 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494170049 905506235 /nfs/dbraw/zinc/50/62/35/905506235.db2.gz ITPWXENDTXREPT-IEBWSBKVSA-N 1 1 423.847 4.480 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494170049 905506252 /nfs/dbraw/zinc/50/62/52/905506252.db2.gz ITPWXENDTXREPT-IEBWSBKVSA-N 1 1 423.847 4.480 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000494495742 905784580 /nfs/dbraw/zinc/78/45/80/905784580.db2.gz OGSOBPCVDZGYDI-SJLPKXTDSA-N 1 1 418.812 4.057 20 5 HIBDMO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494517335 905807457 /nfs/dbraw/zinc/80/74/57/905807457.db2.gz YIIDGYFHTLBXTA-LLVKDONJSA-N 1 1 411.380 4.431 20 5 HIBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512522684 921213903 /nfs/dbraw/zinc/21/39/03/921213903.db2.gz XUYQJPXSQUSFEB-RDJZCZTQSA-N 1 1 416.547 4.235 20 5 HIBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512522684 921213907 /nfs/dbraw/zinc/21/39/07/921213907.db2.gz XUYQJPXSQUSFEB-RDJZCZTQSA-N 1 1 416.547 4.235 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]C3(C(=O)Nc4ccccc4)CC3)o2)c([N+](=O)[O-])c1 ZINC000495154992 906274905 /nfs/dbraw/zinc/27/49/05/906274905.db2.gz DNKRWJRYTLKDFK-UHFFFAOYSA-N 1 1 407.426 4.124 20 5 HIBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000495267148 906349649 /nfs/dbraw/zinc/34/96/49/906349649.db2.gz ZJBSXGNBVIFDHR-UHFFFAOYSA-N 1 1 410.499 4.413 20 5 HIBDMO C[C@@H]1C[C@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@H+]1Cc1ccccc1 ZINC000512551199 921230763 /nfs/dbraw/zinc/23/07/63/921230763.db2.gz RWCBPOMMJZWKAO-AEFFLSMTSA-N 1 1 406.486 4.107 20 5 HIBDMO CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952372 907421724 /nfs/dbraw/zinc/42/17/24/907421724.db2.gz OLCQVCKCLUPNPN-FXAWDEMLSA-N 1 1 411.502 4.291 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)C[C@H](C)O1 ZINC000498137679 907658744 /nfs/dbraw/zinc/65/87/44/907658744.db2.gz BXOALIZGRZQWRD-IYBDPMFKSA-N 1 1 420.469 4.005 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)C[C@H](C)O1 ZINC000498137679 907658754 /nfs/dbraw/zinc/65/87/54/907658754.db2.gz BXOALIZGRZQWRD-IYBDPMFKSA-N 1 1 420.469 4.005 20 5 HIBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498279837 907815115 /nfs/dbraw/zinc/81/51/15/907815115.db2.gz SQGJQSUTWQNIPH-UHFFFAOYSA-N 1 1 418.497 4.127 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000500626643 909976441 /nfs/dbraw/zinc/97/64/41/909976441.db2.gz UBLJZEOVUAWCCP-FPOVZHCZSA-N 1 1 424.545 4.079 20 5 HIBDMO COc1cc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513111665 921559061 /nfs/dbraw/zinc/55/90/61/921559061.db2.gz JPAUOEDQMUBQMB-HXUWFJFHSA-N 1 1 422.485 4.216 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513111665 921559072 /nfs/dbraw/zinc/55/90/72/921559072.db2.gz JPAUOEDQMUBQMB-HXUWFJFHSA-N 1 1 422.485 4.216 20 5 HIBDMO O=C(CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1)Nc1ccccc1[N+](=O)[O-] ZINC000501114159 910300969 /nfs/dbraw/zinc/30/09/69/910300969.db2.gz CATUZICESPHIHS-IBGZPJMESA-N 1 1 421.457 4.201 20 5 HIBDMO O=C(CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1)Nc1ccccc1[N+](=O)[O-] ZINC000501114159 910300978 /nfs/dbraw/zinc/30/09/78/910300978.db2.gz CATUZICESPHIHS-IBGZPJMESA-N 1 1 421.457 4.201 20 5 HIBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(I)cc2Cl)c1 ZINC000501427362 910560947 /nfs/dbraw/zinc/56/09/47/910560947.db2.gz XGUGJPSUFMCBGQ-UHFFFAOYSA-N 1 1 402.619 4.143 20 5 HIBDMO COc1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)c([N+](=O)[O-])cc1F ZINC000501520491 910629736 /nfs/dbraw/zinc/62/97/36/910629736.db2.gz FHVQAHSSUHSKKF-AWEZNQCLSA-N 1 1 411.227 4.118 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC=Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000501717318 910784873 /nfs/dbraw/zinc/78/48/73/910784873.db2.gz UHFFTQNFYMZLFZ-GSXXRBPTSA-N 1 1 423.517 4.339 20 5 HIBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506402253 915017768 /nfs/dbraw/zinc/01/77/68/915017768.db2.gz IRHVNTHLXWNEHI-IBGZPJMESA-N 1 1 411.483 4.197 20 5 HIBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506402253 915017780 /nfs/dbraw/zinc/01/77/80/915017780.db2.gz IRHVNTHLXWNEHI-IBGZPJMESA-N 1 1 411.483 4.197 20 5 HIBDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000513395869 921765237 /nfs/dbraw/zinc/76/52/37/921765237.db2.gz AYMSDTJDSLRNKR-LJQANCHMSA-N 1 1 423.469 4.344 20 5 HIBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000506706809 915383019 /nfs/dbraw/zinc/38/30/19/915383019.db2.gz IBYHVAKWDKPIMX-NRFANRHFSA-N 1 1 422.485 4.350 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(c4nnc5ccccn54)CC3)cs2)c1 ZINC000506725320 915407770 /nfs/dbraw/zinc/40/77/70/915407770.db2.gz GHHAPNOGZZPWOL-UHFFFAOYSA-N 1 1 420.498 4.141 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507182304 915929177 /nfs/dbraw/zinc/92/91/77/915929177.db2.gz UKDRKKHTRFODOV-MRXNPFEDSA-N 1 1 408.458 4.141 20 5 HIBDMO COc1cc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000507913968 916791278 /nfs/dbraw/zinc/79/12/78/916791278.db2.gz NARCREPLCJZJOQ-UHFFFAOYSA-N 1 1 416.474 4.232 20 5 HIBDMO COc1ccc(C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1O ZINC000508063375 916886101 /nfs/dbraw/zinc/88/61/01/916886101.db2.gz RLXVWAMESZEADW-UHFFFAOYSA-N 1 1 424.453 4.186 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000509414464 918075275 /nfs/dbraw/zinc/07/52/75/918075275.db2.gz CNBZHWSYQFUXPV-FQEVSTJZSA-N 1 1 418.925 4.471 20 5 HIBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OCc2ccccn2)c1 ZINC000509585459 918235418 /nfs/dbraw/zinc/23/54/18/918235418.db2.gz JRPFJFHUNFUQNU-MRXNPFEDSA-N 1 1 421.453 4.286 20 5 HIBDMO COc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OC(C)C ZINC000509601134 918251797 /nfs/dbraw/zinc/25/17/97/918251797.db2.gz KXYBXKJYTDAXRT-CQSZACIVSA-N 1 1 402.447 4.108 20 5 HIBDMO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000510446671 918902119 /nfs/dbraw/zinc/90/21/19/918902119.db2.gz IHZIPJHYNXAVET-UHFFFAOYSA-N 1 1 405.882 4.199 20 5 HIBDMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000510446671 918902136 /nfs/dbraw/zinc/90/21/36/918902136.db2.gz IHZIPJHYNXAVET-UHFFFAOYSA-N 1 1 405.882 4.199 20 5 HIBDMO C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510800369 919269858 /nfs/dbraw/zinc/26/98/58/919269858.db2.gz QEAYRMDUZUYWRU-GOEBONIOSA-N 1 1 414.531 4.101 20 5 HIBDMO C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510923341 919439323 /nfs/dbraw/zinc/43/93/23/919439323.db2.gz RRVRFQXHGLEOQD-GOEBONIOSA-N 1 1 414.531 4.101 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000511061300 919658444 /nfs/dbraw/zinc/65/84/44/919658444.db2.gz AABBKUJUZGINPU-JOCHJYFZSA-N 1 1 409.511 4.036 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000511061300 919658460 /nfs/dbraw/zinc/65/84/60/919658460.db2.gz AABBKUJUZGINPU-JOCHJYFZSA-N 1 1 409.511 4.036 20 5 HIBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000511103628 919709960 /nfs/dbraw/zinc/70/99/60/919709960.db2.gz CXGAEHNNKWURCF-OAHLLOKOSA-N 1 1 407.392 4.092 20 5 HIBDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000511108946 919717489 /nfs/dbraw/zinc/71/74/89/919717489.db2.gz SOLAQHVHXPKYFA-UHFFFAOYSA-N 1 1 412.364 4.034 20 5 HIBDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000511108946 919717504 /nfs/dbraw/zinc/71/75/04/919717504.db2.gz SOLAQHVHXPKYFA-UHFFFAOYSA-N 1 1 412.364 4.034 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511233760 919837841 /nfs/dbraw/zinc/83/78/41/919837841.db2.gz MYQPRZAJKYBAMC-HKUYNNGSSA-N 1 1 402.539 4.168 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(Cc4cscn4)CC3)s2)cc1 ZINC000511507653 920123758 /nfs/dbraw/zinc/12/37/58/920123758.db2.gz QMSCLRZABAMSPO-UHFFFAOYSA-N 1 1 400.529 4.098 20 5 HIBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511560173 920199275 /nfs/dbraw/zinc/19/92/75/920199275.db2.gz DQYBIDZGSWDMOI-LJQANCHMSA-N 1 1 423.307 4.142 20 5 HIBDMO CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000513472749 921831495 /nfs/dbraw/zinc/83/14/95/921831495.db2.gz LKYNCRMKCDBZQN-QHCPKHFHSA-N 1 1 417.513 4.116 20 5 HIBDMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000513472749 921831498 /nfs/dbraw/zinc/83/14/98/921831498.db2.gz LKYNCRMKCDBZQN-QHCPKHFHSA-N 1 1 417.513 4.116 20 5 HIBDMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000513472749 921831501 /nfs/dbraw/zinc/83/15/01/921831501.db2.gz LKYNCRMKCDBZQN-QHCPKHFHSA-N 1 1 417.513 4.116 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000513714161 922034427 /nfs/dbraw/zinc/03/44/27/922034427.db2.gz ZFQMLAZLJZBIGA-JOCHJYFZSA-N 1 1 417.469 4.025 20 5 HIBDMO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000513824740 922149964 /nfs/dbraw/zinc/14/99/64/922149964.db2.gz PTNGGPPOXCFZOX-YUVXSKOASA-N 1 1 403.567 4.033 20 5 HIBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000514635047 922737023 /nfs/dbraw/zinc/73/70/23/922737023.db2.gz QMLNUPYSLYCIOY-KRWDZBQOSA-N 1 1 415.465 4.264 20 5 HIBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000514817513 922812471 /nfs/dbraw/zinc/81/24/71/922812471.db2.gz HTRAONNQFRDIBY-IBGZPJMESA-N 1 1 420.460 4.078 20 5 HIBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000515391520 923078180 /nfs/dbraw/zinc/07/81/80/923078180.db2.gz QCLARVOJDUCJKU-UHFFFAOYSA-N 1 1 408.483 4.209 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000515565463 923183311 /nfs/dbraw/zinc/18/33/11/923183311.db2.gz LKLJGNLSPYTLRL-QFIPXVFZSA-N 1 1 423.513 4.476 20 5 HIBDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000518403246 927244371 /nfs/dbraw/zinc/24/43/71/927244371.db2.gz DBILYQSKSYHKHZ-UHFFFAOYSA-N 1 1 400.422 4.140 20 5 HIBDMO Cc1ccc([C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)[NH+]2CCCC2)cc1 ZINC000520203089 928386550 /nfs/dbraw/zinc/38/65/50/928386550.db2.gz GTPOXXBYLJLKED-IBGZPJMESA-N 1 1 405.445 4.431 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cc4c(cc3OC)C[C@@H](C)O4)o2)c([N+](=O)[O-])c1 ZINC000520952029 928887815 /nfs/dbraw/zinc/88/78/15/928887815.db2.gz BUPCOFPBEZBSAX-CQSZACIVSA-N 1 1 424.453 4.485 20 5 HIBDMO CC[N@@H+](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000520963698 928892181 /nfs/dbraw/zinc/89/21/81/928892181.db2.gz ZGRCYZFNODKSIZ-UHFFFAOYSA-N 1 1 408.296 4.191 20 5 HIBDMO CCN(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000520963698 928892184 /nfs/dbraw/zinc/89/21/84/928892184.db2.gz ZGRCYZFNODKSIZ-UHFFFAOYSA-N 1 1 408.296 4.191 20 5 HIBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000520968817 928895166 /nfs/dbraw/zinc/89/51/66/928895166.db2.gz NYJJHOJQFZCLMJ-OAHLLOKOSA-N 1 1 404.536 4.304 20 5 HIBDMO COC1CC[NH+](C2(CNCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCCC2)CC1 ZINC000520973012 928897100 /nfs/dbraw/zinc/89/71/00/928897100.db2.gz AFMRTJSHBKFUTF-UHFFFAOYSA-N 1 1 413.518 4.368 20 5 HIBDMO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000521675459 929358821 /nfs/dbraw/zinc/35/88/21/929358821.db2.gz IVONOEXMEKHGGN-FYYLOGMGSA-N 1 1 411.502 4.068 20 5 HIBDMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000521675459 929358833 /nfs/dbraw/zinc/35/88/33/929358833.db2.gz IVONOEXMEKHGGN-FYYLOGMGSA-N 1 1 411.502 4.068 20 5 HIBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000525292826 930136681 /nfs/dbraw/zinc/13/66/81/930136681.db2.gz IGIJBQIAWHQUHP-AWEZNQCLSA-N 1 1 419.934 4.471 20 5 HIBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531065048 930903542 /nfs/dbraw/zinc/90/35/42/930903542.db2.gz AZNGDYAUOITIRK-QHCPKHFHSA-N 1 1 423.513 4.019 20 5 HIBDMO COc1cc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531153258 930947347 /nfs/dbraw/zinc/94/73/47/930947347.db2.gz UDSXZPOVQOAEAZ-CTNGQTDRSA-N 1 1 413.518 4.145 20 5 HIBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532238200 931366393 /nfs/dbraw/zinc/36/63/93/931366393.db2.gz UDXHCSORTAJOGV-JPYJTQIMSA-N 1 1 418.497 4.203 20 5 HIBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000532688882 931585325 /nfs/dbraw/zinc/58/53/25/931585325.db2.gz FKUXUKYCGYVPCB-MRXNPFEDSA-N 1 1 412.421 4.042 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CNc3ccc(C[NH+]4CCOCC4)cc3)cs2)c1 ZINC000532746398 931619935 /nfs/dbraw/zinc/61/99/35/931619935.db2.gz XZKVNUYQIUXEIS-UHFFFAOYSA-N 1 1 410.499 4.163 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000532904133 931686821 /nfs/dbraw/zinc/68/68/21/931686821.db2.gz FDFQYGUUKDCVTN-MRXNPFEDSA-N 1 1 424.482 4.340 20 5 HIBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccc(C(F)(F)F)c1 ZINC000533250952 931818986 /nfs/dbraw/zinc/81/89/86/931818986.db2.gz JJWJRBCKVGCWON-UHFFFAOYSA-N 1 1 409.364 4.044 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000533286931 931828157 /nfs/dbraw/zinc/82/81/57/931828157.db2.gz CWELJPVIFCZXHK-UHFFFAOYSA-N 1 1 410.449 4.342 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000533347544 931844336 /nfs/dbraw/zinc/84/43/36/931844336.db2.gz MXTQZVIDMLROLZ-PZJWPPBQSA-N 1 1 424.545 4.217 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000533421053 931863328 /nfs/dbraw/zinc/86/33/28/931863328.db2.gz KJQOBKANYYHQTB-QGZVFWFLSA-N 1 1 421.501 4.302 20 5 HIBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000533438370 931869562 /nfs/dbraw/zinc/86/95/62/931869562.db2.gz DXRRXAJLZPUDBZ-VFNWGFHPSA-N 1 1 411.433 4.393 20 5 HIBDMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000533514772 931891384 /nfs/dbraw/zinc/89/13/84/931891384.db2.gz LCUDLSDZVVUWCI-QHCPKHFHSA-N 1 1 423.444 4.369 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000533917935 932098061 /nfs/dbraw/zinc/09/80/61/932098061.db2.gz MLJITYMINWBMPT-QGZVFWFLSA-N 1 1 420.513 4.167 20 5 HIBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534812859 932786534 /nfs/dbraw/zinc/78/65/34/932786534.db2.gz AESDJOCTUAJGRZ-OAHLLOKOSA-N 1 1 404.430 4.024 20 5 HIBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534812859 932786541 /nfs/dbraw/zinc/78/65/41/932786541.db2.gz AESDJOCTUAJGRZ-OAHLLOKOSA-N 1 1 404.430 4.024 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](OCCCc4ccccc4)C3)co2)cc1 ZINC000534843094 932803224 /nfs/dbraw/zinc/80/32/24/932803224.db2.gz NOWCOZIANZIPGZ-QFIPXVFZSA-N 1 1 407.470 4.474 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](OCCCc4ccccc4)C3)co2)cc1 ZINC000534843094 932803228 /nfs/dbraw/zinc/80/32/28/932803228.db2.gz NOWCOZIANZIPGZ-QFIPXVFZSA-N 1 1 407.470 4.474 20 5 HIBDMO Cc1c(CC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962370 932862503 /nfs/dbraw/zinc/86/25/03/932862503.db2.gz CTYJOCOAZCGKKT-KKSFZXQISA-N 1 1 419.884 4.047 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@H+]1Cc1ccccc1 ZINC000534995801 932880724 /nfs/dbraw/zinc/88/07/24/932880724.db2.gz DGQOJPKQCKSIJD-WMZOPIPTSA-N 1 1 406.486 4.107 20 5 HIBDMO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000535432247 933131711 /nfs/dbraw/zinc/13/17/11/933131711.db2.gz OBYPSRFXBVZWTG-GCJKJVERSA-N 1 1 410.518 4.004 20 5 HIBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000535717385 933366873 /nfs/dbraw/zinc/36/68/73/933366873.db2.gz WBQKYINREZIUCD-UHFFFAOYSA-N 1 1 424.545 4.399 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)o2)c(Cl)c1 ZINC000535809126 933404492 /nfs/dbraw/zinc/40/44/92/933404492.db2.gz HQONBLRUHMZPNU-CQSZACIVSA-N 1 1 401.854 4.012 20 5 HIBDMO COc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1OC ZINC000537629967 938340596 /nfs/dbraw/zinc/34/05/96/938340596.db2.gz BPJAOUMJJLTLGP-UHFFFAOYSA-N 1 1 406.866 4.309 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000538741747 938698819 /nfs/dbraw/zinc/69/88/19/938698819.db2.gz DOYDVLUFDKRTBQ-SEJPIABJSA-N 1 1 407.514 4.445 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000538766293 938705446 /nfs/dbraw/zinc/70/54/46/938705446.db2.gz JUCCNRRDQXZEIL-XLIONFOSSA-N 1 1 401.894 4.349 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000538766293 938705449 /nfs/dbraw/zinc/70/54/49/938705449.db2.gz JUCCNRRDQXZEIL-XLIONFOSSA-N 1 1 401.894 4.349 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538791583 938712730 /nfs/dbraw/zinc/71/27/30/938712730.db2.gz FDYLUPSISYEXDO-FPOVZHCZSA-N 1 1 412.486 4.183 20 5 HIBDMO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539456974 938863547 /nfs/dbraw/zinc/86/35/47/938863547.db2.gz SAZYFXVYCDJEFT-UHFFFAOYSA-N 1 1 413.861 4.256 20 5 HIBDMO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000539816794 938940905 /nfs/dbraw/zinc/94/09/05/938940905.db2.gz CDAGGSXLFVQOFT-YCRPNKLZSA-N 1 1 410.449 4.096 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000539816794 938940913 /nfs/dbraw/zinc/94/09/13/938940913.db2.gz CDAGGSXLFVQOFT-YCRPNKLZSA-N 1 1 410.449 4.096 20 5 HIBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000539862372 938960288 /nfs/dbraw/zinc/96/02/88/938960288.db2.gz HXXROVVYVZLQDB-ZDUSSCGKSA-N 1 1 409.280 4.476 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1OC ZINC000539897196 938971263 /nfs/dbraw/zinc/97/12/63/938971263.db2.gz ZWXWOKATBFGTRT-CYBMUJFWSA-N 1 1 415.421 4.272 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000540014316 939039915 /nfs/dbraw/zinc/03/99/15/939039915.db2.gz WQCACAKUKOMYMR-QGZVFWFLSA-N 1 1 402.539 4.199 20 5 HIBDMO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540159655 939095514 /nfs/dbraw/zinc/09/55/14/939095514.db2.gz BXCKUPWHEGLPDT-CWFSZBLJSA-N 1 1 415.559 4.352 20 5 HIBDMO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540159655 939095520 /nfs/dbraw/zinc/09/55/20/939095520.db2.gz BXCKUPWHEGLPDT-CWFSZBLJSA-N 1 1 415.559 4.352 20 5 HIBDMO Cc1c([C@H](C)[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)cccc1[N+](=O)[O-] ZINC000540166649 939098641 /nfs/dbraw/zinc/09/86/41/939098641.db2.gz MEAXNODMRVYLOB-JTQLQIEISA-N 1 1 413.787 4.469 20 5 HIBDMO C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000540376977 939217032 /nfs/dbraw/zinc/21/70/32/939217032.db2.gz UYXXJAJYMGDGHL-NSHDSACASA-N 1 1 403.287 4.026 20 5 HIBDMO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000540644280 939328938 /nfs/dbraw/zinc/32/89/38/939328938.db2.gz IPRUKADHNLJRLP-UHFFFAOYSA-N 1 1 404.854 4.103 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540798949 939376356 /nfs/dbraw/zinc/37/63/56/939376356.db2.gz PZLYLPMYXUCBDW-WIYYLYMNSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540798949 939376361 /nfs/dbraw/zinc/37/63/61/939376361.db2.gz PZLYLPMYXUCBDW-WIYYLYMNSA-N 1 1 419.884 4.270 20 5 HIBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540961967 939421032 /nfs/dbraw/zinc/42/10/32/939421032.db2.gz LVNSLRTXDRDOIP-STQMWFEESA-N 1 1 409.280 4.210 20 5 HIBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540961964 939421083 /nfs/dbraw/zinc/42/10/83/939421083.db2.gz LVNSLRTXDRDOIP-CHWSQXEVSA-N 1 1 409.280 4.210 20 5 HIBDMO C[N@H+]1CC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541576027 939559204 /nfs/dbraw/zinc/55/92/04/939559204.db2.gz QPFZJMPHAFNFPL-YJYMSZOUSA-N 1 1 415.856 4.435 20 5 HIBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000541629769 939575779 /nfs/dbraw/zinc/57/57/79/939575779.db2.gz YUWZIBFNKDAIIS-CKFHNAJUSA-N 1 1 405.495 4.098 20 5 HIBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[N@H+]1C1CC1 ZINC000541724941 939614556 /nfs/dbraw/zinc/61/45/56/939614556.db2.gz NPPQTVGDOMZHTI-GDBMZVCRSA-N 1 1 403.548 4.232 20 5 HIBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541785247 939629579 /nfs/dbraw/zinc/62/95/79/939629579.db2.gz JXHCQJWTRUUAFR-KZULUSFZSA-N 1 1 424.835 4.341 20 5 HIBDMO COc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542031626 939693354 /nfs/dbraw/zinc/69/33/54/939693354.db2.gz FHFYQBSKEBIKAE-ICSRJNTNSA-N 1 1 424.501 4.122 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542633912 939850600 /nfs/dbraw/zinc/85/06/00/939850600.db2.gz ULLXFAPYZDLZNO-GHTZIAJQSA-N 1 1 415.465 4.223 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000542918025 939877445 /nfs/dbraw/zinc/87/74/45/939877445.db2.gz VBPVRRQOIXUOPO-FUHWJXTLSA-N 1 1 406.523 4.277 20 5 HIBDMO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(Cc2ccccc2)no1 ZINC000543537690 940098271 /nfs/dbraw/zinc/09/82/71/940098271.db2.gz GNGBLOLDDZFZCB-HNNXBMFYSA-N 1 1 419.441 4.117 20 5 HIBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560271 940108962 /nfs/dbraw/zinc/10/89/62/940108962.db2.gz ZRBRHENBKUAAMQ-IEBWSBKVSA-N 1 1 412.421 4.136 20 5 HIBDMO Cn1cc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000543636159 940144146 /nfs/dbraw/zinc/14/41/46/940144146.db2.gz WAWJAZXDCITIML-VXKWHMMOSA-N 1 1 424.476 4.487 20 5 HIBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543643369 940147154 /nfs/dbraw/zinc/14/71/54/940147154.db2.gz BRVFRUATAFJYFV-UHFFFAOYSA-N 1 1 412.421 4.281 20 5 HIBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543643369 940147157 /nfs/dbraw/zinc/14/71/57/940147157.db2.gz BRVFRUATAFJYFV-UHFFFAOYSA-N 1 1 412.421 4.281 20 5 HIBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000544560643 940479211 /nfs/dbraw/zinc/47/92/11/940479211.db2.gz IHJWVTCTPREOIB-SFHVURJKSA-N 1 1 403.548 4.186 20 5 HIBDMO Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc12 ZINC000545459513 940570934 /nfs/dbraw/zinc/57/09/34/940570934.db2.gz APMBGDZDBOZJEZ-ZDUSSCGKSA-N 1 1 403.280 4.473 20 5 HIBDMO CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545560065 940574671 /nfs/dbraw/zinc/57/46/71/940574671.db2.gz RCSVXVXGGSBKHE-HSZRJFAPSA-N 1 1 419.529 4.092 20 5 HIBDMO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545560065 940574672 /nfs/dbraw/zinc/57/46/72/940574672.db2.gz RCSVXVXGGSBKHE-HSZRJFAPSA-N 1 1 419.529 4.092 20 5 HIBDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545560065 940574673 /nfs/dbraw/zinc/57/46/73/940574673.db2.gz RCSVXVXGGSBKHE-HSZRJFAPSA-N 1 1 419.529 4.092 20 5 HIBDMO Cc1cc(Br)cn2cc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)nc12 ZINC000546873101 940899112 /nfs/dbraw/zinc/89/91/12/940899112.db2.gz PJGYPAPSZBRROB-CYBMUJFWSA-N 1 1 403.280 4.473 20 5 HIBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546930528 940916823 /nfs/dbraw/zinc/91/68/23/940916823.db2.gz JPIFPQHHNYFLAI-JOCHJYFZSA-N 1 1 420.513 4.389 20 5 HIBDMO CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546930528 940916826 /nfs/dbraw/zinc/91/68/26/940916826.db2.gz JPIFPQHHNYFLAI-JOCHJYFZSA-N 1 1 420.513 4.389 20 5 HIBDMO CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546930528 940916829 /nfs/dbraw/zinc/91/68/29/940916829.db2.gz JPIFPQHHNYFLAI-JOCHJYFZSA-N 1 1 420.513 4.389 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000548956723 941133826 /nfs/dbraw/zinc/13/38/26/941133826.db2.gz FRTYUFBIUDZTAK-QGZVFWFLSA-N 1 1 411.502 4.298 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000549298932 941178094 /nfs/dbraw/zinc/17/80/94/941178094.db2.gz DLROCKNTEKQFQS-HKUYNNGSSA-N 1 1 411.502 4.119 20 5 HIBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549364755 941182979 /nfs/dbraw/zinc/18/29/79/941182979.db2.gz PGRRQCBYZFXVAQ-INIZCTEOSA-N 1 1 411.380 4.164 20 5 HIBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000549544366 941198831 /nfs/dbraw/zinc/19/88/31/941198831.db2.gz MGJSQZXPQXEOQY-OAHLLOKOSA-N 1 1 408.298 4.456 20 5 HIBDMO COc1cc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c([N+](=O)[O-])cc1F ZINC000551721404 941533183 /nfs/dbraw/zinc/53/31/83/941533183.db2.gz SRVWRUXBHHHUFU-KRWDZBQOSA-N 1 1 410.243 4.141 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552085100 941581839 /nfs/dbraw/zinc/58/18/39/941581839.db2.gz PGTCFKWFCOPJNR-JOCHJYFZSA-N 1 1 412.486 4.062 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC000552134242 941591160 /nfs/dbraw/zinc/59/11/60/941591160.db2.gz BYTKFRRANUPIQN-AWEZNQCLSA-N 1 1 407.923 4.212 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000552248611 941613593 /nfs/dbraw/zinc/61/35/93/941613593.db2.gz MVBGPZINFOMBHQ-JOCHJYFZSA-N 1 1 407.518 4.048 20 5 HIBDMO CSc1cccc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1[N+](=O)[O-] ZINC000552872806 941795002 /nfs/dbraw/zinc/79/50/02/941795002.db2.gz JDLOWNWVPNVTED-KRWDZBQOSA-N 1 1 411.483 4.171 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cccc1[N+](=O)[O-] ZINC000553925624 942000825 /nfs/dbraw/zinc/00/08/25/942000825.db2.gz UHIUFKRAHPEQLD-GOSISDBHSA-N 1 1 413.478 4.110 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cccc1[N+](=O)[O-] ZINC000553925624 942000827 /nfs/dbraw/zinc/00/08/27/942000827.db2.gz UHIUFKRAHPEQLD-GOSISDBHSA-N 1 1 413.478 4.110 20 5 HIBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000554070265 942028949 /nfs/dbraw/zinc/02/89/49/942028949.db2.gz ODPVXLNLUJEVFO-QZTJIDSGSA-N 1 1 409.408 4.043 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000554104544 942037011 /nfs/dbraw/zinc/03/70/11/942037011.db2.gz IGWCOQHMXFEVEP-OAQYLSRUSA-N 1 1 421.501 4.346 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000555010405 942354413 /nfs/dbraw/zinc/35/44/13/942354413.db2.gz ARRZXOVRKNDNJR-KNQAVFIVSA-N 1 1 423.513 4.120 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)s1 ZINC000556827871 942936372 /nfs/dbraw/zinc/93/63/72/942936372.db2.gz OXFXAFXFDYJWIP-HNNXBMFYSA-N 1 1 412.515 4.040 20 5 HIBDMO COc1ccc(C2(C[NH2+][C@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)CCC2)cc1 ZINC000556889722 942951796 /nfs/dbraw/zinc/95/17/96/942951796.db2.gz FAKAMVNOUMXTTO-NRFANRHFSA-N 1 1 406.486 4.138 20 5 HIBDMO COc1ccc(C2(C[NH2+][C@@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)CCC2)cc1 ZINC000556889723 942953258 /nfs/dbraw/zinc/95/32/58/942953258.db2.gz FAKAMVNOUMXTTO-OAQYLSRUSA-N 1 1 406.486 4.138 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556891099 942954312 /nfs/dbraw/zinc/95/43/12/942954312.db2.gz AKDIWXFUVADWLQ-HLAWJBBLSA-N 1 1 410.449 4.067 20 5 HIBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995912 942990410 /nfs/dbraw/zinc/99/04/10/942990410.db2.gz YZLYROWNLVJBPD-KGLIPLIRSA-N 1 1 401.429 4.130 20 5 HIBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995912 942990413 /nfs/dbraw/zinc/99/04/13/942990413.db2.gz YZLYROWNLVJBPD-KGLIPLIRSA-N 1 1 401.429 4.130 20 5 HIBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000557482913 943158064 /nfs/dbraw/zinc/15/80/64/943158064.db2.gz CSTULMDKNJXXHL-UHFFFAOYSA-N 1 1 413.437 4.286 20 5 HIBDMO CC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCCO2 ZINC000557483781 943161084 /nfs/dbraw/zinc/16/10/84/943161084.db2.gz UVTROGVAYKKKSG-SUMWQHHRSA-N 1 1 410.430 4.218 20 5 HIBDMO C[N@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000557624002 943236128 /nfs/dbraw/zinc/23/61/28/943236128.db2.gz ALCPJCCAEZDMAL-BDJLRTHQSA-N 1 1 421.885 4.497 20 5 HIBDMO CC(=O)NCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C)s1 ZINC000559072353 943825701 /nfs/dbraw/zinc/82/57/01/943825701.db2.gz GBVNJAHHPYPTJR-UHFFFAOYSA-N 1 1 413.499 4.363 20 5 HIBDMO CC(=O)NCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C)s1 ZINC000559072353 943825705 /nfs/dbraw/zinc/82/57/05/943825705.db2.gz GBVNJAHHPYPTJR-UHFFFAOYSA-N 1 1 413.499 4.363 20 5 HIBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(OCc2cccnc2)c1 ZINC000559072545 943825922 /nfs/dbraw/zinc/82/59/22/943825922.db2.gz LFYKJEJEQSGGJX-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559157383 943854924 /nfs/dbraw/zinc/85/49/24/943854924.db2.gz GAKJMDMMVAYUER-BETUJISGSA-N 1 1 401.429 4.100 20 5 HIBDMO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000559984717 944111362 /nfs/dbraw/zinc/11/13/62/944111362.db2.gz VRGSCIKEMJLYJK-BEFAXECRSA-N 1 1 401.532 4.133 20 5 HIBDMO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000561497090 944636012 /nfs/dbraw/zinc/63/60/12/944636012.db2.gz FMZDQYFULUXMPT-GOSISDBHSA-N 1 1 402.834 4.340 20 5 HIBDMO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000561497091 944636529 /nfs/dbraw/zinc/63/65/29/944636529.db2.gz FMZDQYFULUXMPT-SFHVURJKSA-N 1 1 402.834 4.340 20 5 HIBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000567204883 946271164 /nfs/dbraw/zinc/27/11/64/946271164.db2.gz IZUACUOBQYYXPA-LJQANCHMSA-N 1 1 420.513 4.037 20 5 HIBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000567204882 946271534 /nfs/dbraw/zinc/27/15/34/946271534.db2.gz IZUACUOBQYYXPA-IBGZPJMESA-N 1 1 420.513 4.037 20 5 HIBDMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000568903975 946741646 /nfs/dbraw/zinc/74/16/46/946741646.db2.gz UYLZBAIRTWUFHY-UHFFFAOYSA-N 1 1 415.421 4.214 20 5 HIBDMO O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(CCCC[NH+]4CCOCC4)n3)cc2)c1 ZINC000569854636 947020042 /nfs/dbraw/zinc/02/00/42/947020042.db2.gz PIVJNBXUIZCOLL-UHFFFAOYSA-N 1 1 424.457 4.092 20 5 HIBDMO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570888444 947385038 /nfs/dbraw/zinc/38/50/38/947385038.db2.gz VHZIZZHIBZXIHO-NSHDSACASA-N 1 1 412.227 4.098 20 5 HIBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570888444 947385055 /nfs/dbraw/zinc/38/50/55/947385055.db2.gz VHZIZZHIBZXIHO-NSHDSACASA-N 1 1 412.227 4.098 20 5 HIBDMO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000570894269 947388079 /nfs/dbraw/zinc/38/80/79/947388079.db2.gz IVAKJJINYFEFNH-HXUWFJFHSA-N 1 1 409.530 4.291 20 5 HIBDMO COc1ccc(C(C)(C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000572229196 947868179 /nfs/dbraw/zinc/86/81/79/947868179.db2.gz NXDKALFMCLHUCM-OAQYLSRUSA-N 1 1 424.501 4.002 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC3)cs1 ZINC001164690896 719805271 /nfs/dbraw/zinc/80/52/71/719805271.db2.gz CCJLKEZWIOJCRO-UHFFFAOYSA-N 1 1 407.927 4.043 20 5 HIBDMO O=[N+]([O-])c1cccc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ccc21 ZINC001164694752 719891135 /nfs/dbraw/zinc/89/11/35/719891135.db2.gz FCUIYZPHUHLWTF-UHFFFAOYSA-N 1 1 424.526 4.076 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3ccc4cccnc4c3n1)[C@H]2C ZINC001164859324 720941195 /nfs/dbraw/zinc/94/11/95/720941195.db2.gz MQWXXKDBJKXQJZ-KRWDZBQOSA-N 1 1 400.530 4.401 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165023979 721808065 /nfs/dbraw/zinc/80/80/65/721808065.db2.gz KOJWWZAXXIRCPL-JQHSSLGASA-N 1 1 415.925 4.084 20 5 HIBDMO CC(C)Oc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164997255 722209642 /nfs/dbraw/zinc/20/96/42/722209642.db2.gz XQKABUAIQDRWSE-JOCHJYFZSA-N 1 1 414.481 4.161 20 5 HIBDMO CC(C)Oc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164997256 722209821 /nfs/dbraw/zinc/20/98/21/722209821.db2.gz XQKABUAIQDRWSE-QFIPXVFZSA-N 1 1 414.481 4.161 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000006977158 845229049 /nfs/dbraw/zinc/22/90/49/845229049.db2.gz MPDOFHKBEPNKCO-CYBMUJFWSA-N 1 1 402.838 4.370 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000006977158 845229057 /nfs/dbraw/zinc/22/90/57/845229057.db2.gz MPDOFHKBEPNKCO-CYBMUJFWSA-N 1 1 402.838 4.370 20 5 HIBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000436305235 861610157 /nfs/dbraw/zinc/61/01/57/861610157.db2.gz FUPMWFGOBXWTKL-GFCCVEGCSA-N 1 1 400.426 4.394 20 5 HIBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000018941762 846347800 /nfs/dbraw/zinc/34/78/00/846347800.db2.gz KFCVHUFYVALGPE-AWEZNQCLSA-N 1 1 410.499 4.411 20 5 HIBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000027498339 847313686 /nfs/dbraw/zinc/31/36/86/847313686.db2.gz JDRJPOTXRVORKV-CRAIPNDOSA-N 1 1 403.504 4.012 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000044877512 848611815 /nfs/dbraw/zinc/61/18/15/848611815.db2.gz RQQIGRNRSYOWPN-HNNXBMFYSA-N 1 1 401.894 4.410 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000050629627 849400193 /nfs/dbraw/zinc/40/01/93/849400193.db2.gz ICLXHFAYDFUUNZ-RVKKMQEKSA-N 1 1 414.531 4.196 20 5 HIBDMO C[N@H+](CCCOc1cccc(Cl)c1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000052458077 849583786 /nfs/dbraw/zinc/58/37/86/849583786.db2.gz BLSJGGMIOWEHMB-UHFFFAOYSA-N 1 1 402.838 4.199 20 5 HIBDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000052458077 849583791 /nfs/dbraw/zinc/58/37/91/849583791.db2.gz BLSJGGMIOWEHMB-UHFFFAOYSA-N 1 1 402.838 4.199 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000058519824 850844370 /nfs/dbraw/zinc/84/43/70/850844370.db2.gz JPJULGSTCDRBDO-MRXNPFEDSA-N 1 1 412.490 4.300 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000058948750 850965736 /nfs/dbraw/zinc/96/57/36/850965736.db2.gz ZFOQMWJUVVISNM-MRXNPFEDSA-N 1 1 413.543 4.479 20 5 HIBDMO CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000060475304 851112806 /nfs/dbraw/zinc/11/28/06/851112806.db2.gz CLKGZASCQYDIBI-QGZVFWFLSA-N 1 1 411.502 4.298 20 5 HIBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000437042819 862233801 /nfs/dbraw/zinc/23/38/01/862233801.db2.gz UCXIVYDQKLKWCN-MRXNPFEDSA-N 1 1 421.419 4.208 20 5 HIBDMO COc1ccc([C@@H](NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C(C)C)cc1 ZINC000064350157 851876755 /nfs/dbraw/zinc/87/67/55/851876755.db2.gz JLQGURURYWRQCV-QHCPKHFHSA-N 1 1 413.518 4.327 20 5 HIBDMO COc1ccc([C@@H](NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C(C)C)cc1 ZINC000064350157 851876763 /nfs/dbraw/zinc/87/67/63/851876763.db2.gz JLQGURURYWRQCV-QHCPKHFHSA-N 1 1 413.518 4.327 20 5 HIBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000065115502 852068587 /nfs/dbraw/zinc/06/85/87/852068587.db2.gz HUPTZYSLGSFTFG-UHFFFAOYSA-N 1 1 410.499 4.100 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000065128639 852075209 /nfs/dbraw/zinc/07/52/09/852075209.db2.gz ZWYXBPGTENTKHL-DAYGRLMNSA-N 1 1 414.531 4.196 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000065867451 852291627 /nfs/dbraw/zinc/29/16/27/852291627.db2.gz MNKMQRMOTZYYIK-GOSISDBHSA-N 1 1 420.513 4.240 20 5 HIBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000072009924 852464559 /nfs/dbraw/zinc/46/45/59/852464559.db2.gz HQDKRWWKXXXIQX-IBGZPJMESA-N 1 1 424.545 4.335 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000105812331 852730522 /nfs/dbraw/zinc/73/05/22/852730522.db2.gz IVKQNBFVOAAQAH-UHFFFAOYSA-N 1 1 411.380 4.262 20 5 HIBDMO COC(=O)c1cc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc([N+](=O)[O-])c1 ZINC000108208620 852829278 /nfs/dbraw/zinc/82/92/78/852829278.db2.gz GWPDASORMCXVMA-UHFFFAOYSA-N 1 1 422.441 4.002 20 5 HIBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC000108713481 852875468 /nfs/dbraw/zinc/87/54/68/852875468.db2.gz FIPPTCHZBHNILK-UHFFFAOYSA-N 1 1 409.408 4.335 20 5 HIBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000117271257 853350368 /nfs/dbraw/zinc/35/03/68/853350368.db2.gz DUCJKHSFUBXXQK-FQEVSTJZSA-N 1 1 415.921 4.451 20 5 HIBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140761285 853452795 /nfs/dbraw/zinc/45/27/95/853452795.db2.gz SSJGGJKFPGWEEH-FYYLOGMGSA-N 1 1 418.497 4.434 20 5 HIBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140761285 853452798 /nfs/dbraw/zinc/45/27/98/853452798.db2.gz SSJGGJKFPGWEEH-FYYLOGMGSA-N 1 1 418.497 4.434 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000237199571 853980947 /nfs/dbraw/zinc/98/09/47/853980947.db2.gz KYCXACADWLXBEQ-UHFFFAOYSA-N 1 1 400.866 4.349 20 5 HIBDMO COc1cc(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])ccc1C ZINC000237301129 854001357 /nfs/dbraw/zinc/00/13/57/854001357.db2.gz UJPWCHDCZDFUEM-UHFFFAOYSA-N 1 1 414.380 4.151 20 5 HIBDMO Cc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237646128 854067916 /nfs/dbraw/zinc/06/79/16/854067916.db2.gz ABNFVRTWBABQJD-HSZRJFAPSA-N 1 1 424.522 4.494 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437279816 862530136 /nfs/dbraw/zinc/53/01/36/862530136.db2.gz FOWXSMTUBZGDLL-CABCVRRESA-N 1 1 413.440 4.340 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccc(-n4ccnc4)c(F)c3)cs2)c1 ZINC000237860113 854109383 /nfs/dbraw/zinc/10/93/83/854109383.db2.gz HPRMVDUVZWQBCN-UHFFFAOYSA-N 1 1 409.446 4.333 20 5 HIBDMO O=[N+]([O-])c1cc(Br)ccc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000301077522 854289903 /nfs/dbraw/zinc/28/99/03/854289903.db2.gz MBJBHDLHFSJNHJ-UHFFFAOYSA-N 1 1 401.264 4.257 20 5 HIBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301433483 854393383 /nfs/dbraw/zinc/39/33/83/854393383.db2.gz RCPQYYRUILTVLW-JXFKEZNVSA-N 1 1 416.547 4.290 20 5 HIBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301534355 854415098 /nfs/dbraw/zinc/41/50/98/854415098.db2.gz LDWFVPFOELIBSY-FXAWDEMLSA-N 1 1 410.518 4.198 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000301603455 854427947 /nfs/dbraw/zinc/42/79/47/854427947.db2.gz XDPGXEJTCLLUHV-DYVFJYSZSA-N 1 1 405.296 4.075 20 5 HIBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301723679 854452714 /nfs/dbraw/zinc/45/27/14/854452714.db2.gz SJYOIZGGGMVVMS-KRWDZBQOSA-N 1 1 404.470 4.018 20 5 HIBDMO Cn1ccnc1C(=O)c1ccc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c([N+](=O)[O-])c1 ZINC000301840651 854473818 /nfs/dbraw/zinc/47/38/18/854473818.db2.gz AXIOUQSGFIHYTH-UHFFFAOYSA-N 1 1 416.441 4.067 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000301936910 854498436 /nfs/dbraw/zinc/49/84/36/854498436.db2.gz QOPHPWUYOMECBC-CQSZACIVSA-N 1 1 423.560 4.046 20 5 HIBDMO Cc1nc(C[NH+]2CCC(CNc3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)oc1C ZINC000302028427 854518609 /nfs/dbraw/zinc/51/86/09/854518609.db2.gz RETNSHHGBGIEHV-UHFFFAOYSA-N 1 1 409.490 4.380 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(C)c([N+](=O)[O-])cc2Br)cn1 ZINC000302648753 854597847 /nfs/dbraw/zinc/59/78/47/854597847.db2.gz GBIPGCOHISNSJQ-UHFFFAOYSA-N 1 1 402.252 4.167 20 5 HIBDMO Cc1ccc([C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437344742 862621031 /nfs/dbraw/zinc/62/10/31/862621031.db2.gz UBGGMXLKPHVDDV-IIBYNOLFSA-N 1 1 404.532 4.291 20 5 HIBDMO Cc1csc(Sc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000303844264 855240958 /nfs/dbraw/zinc/24/09/58/855240958.db2.gz IYERCLAQPNFNGR-DZGCQCFKSA-N 1 1 420.560 4.066 20 5 HIBDMO Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000409644271 855579695 /nfs/dbraw/zinc/57/96/95/855579695.db2.gz HWRMRBNHFFDYQX-SFHVURJKSA-N 1 1 418.501 4.277 20 5 HIBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000437517007 862863035 /nfs/dbraw/zinc/86/30/35/862863035.db2.gz JHLXJDZONDCMGU-UHFFFAOYSA-N 1 1 424.457 4.063 20 5 HIBDMO CCCNC(=O)C1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000428091705 857069438 /nfs/dbraw/zinc/06/94/38/857069438.db2.gz MRAFLTMHFHDTCC-UHFFFAOYSA-N 1 1 402.520 4.037 20 5 HIBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)c1 ZINC000428650481 857289574 /nfs/dbraw/zinc/28/95/74/857289574.db2.gz PFWDBKLOZXOAQS-HSZRJFAPSA-N 1 1 419.481 4.061 20 5 HIBDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000429227081 857564688 /nfs/dbraw/zinc/56/46/88/857564688.db2.gz CRVJWRIFFZSMFA-INIZCTEOSA-N 1 1 410.449 4.142 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)O[C@@]4(CCO[C@@H](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430765687 858296369 /nfs/dbraw/zinc/29/63/69/858296369.db2.gz GGEKLFBBSPZTOV-PONJGIIJSA-N 1 1 416.474 4.022 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000467562480 881386180 /nfs/dbraw/zinc/38/61/80/881386180.db2.gz MCBBMCVMHHUANS-QGZVFWFLSA-N 1 1 411.289 4.004 20 5 HIBDMO Cc1cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000432939113 859439132 /nfs/dbraw/zinc/43/91/32/859439132.db2.gz PZEFRYMVOWNQSC-UHFFFAOYSA-N 1 1 418.501 4.277 20 5 HIBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000434855930 860524482 /nfs/dbraw/zinc/52/44/82/860524482.db2.gz POUQUOCMWULLIV-CQSZACIVSA-N 1 1 423.404 4.305 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434905033 860548935 /nfs/dbraw/zinc/54/89/35/860548935.db2.gz PIZDAFIZAWQPOP-UHFFFAOYSA-N 1 1 415.877 4.375 20 5 HIBDMO Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435293569 860723484 /nfs/dbraw/zinc/72/34/84/860723484.db2.gz AFVUDUTXHIIQRE-FQEVSTJZSA-N 1 1 419.485 4.107 20 5 HIBDMO O=C(c1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000435600955 860905328 /nfs/dbraw/zinc/90/53/28/860905328.db2.gz HQMWUAAGGAHZNS-IBGZPJMESA-N 1 1 400.523 4.040 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000437875261 863236344 /nfs/dbraw/zinc/23/63/44/863236344.db2.gz SSMPMUNMOCLICM-KRWDZBQOSA-N 1 1 421.516 4.347 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438341244 863813451 /nfs/dbraw/zinc/81/34/51/863813451.db2.gz APZMWKDCKANZOI-OAQYLSRUSA-N 1 1 400.523 4.066 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000439111652 864548352 /nfs/dbraw/zinc/54/83/52/864548352.db2.gz XGHVKWHGIBXIMB-UHFFFAOYSA-N 1 1 423.941 4.100 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000439883901 865195240 /nfs/dbraw/zinc/19/52/40/865195240.db2.gz VGKFJGSHJGETTK-AUUYWEPGSA-N 1 1 418.519 4.260 20 5 HIBDMO O=C(c1cccc([N+](=O)[O-])c1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440426629 865725504 /nfs/dbraw/zinc/72/55/04/865725504.db2.gz QEIYHWCGEOXEKH-KRWDZBQOSA-N 1 1 421.419 4.121 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@H](C)O1 ZINC000440623284 865843966 /nfs/dbraw/zinc/84/39/66/865843966.db2.gz GOXYFZZMIIKRPB-IYBDPMFKSA-N 1 1 420.469 4.005 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@H](C)O1 ZINC000440623284 865843967 /nfs/dbraw/zinc/84/39/67/865843967.db2.gz GOXYFZZMIIKRPB-IYBDPMFKSA-N 1 1 420.469 4.005 20 5 HIBDMO CO[C@@H](C)c1nc(CN2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000468238933 882134315 /nfs/dbraw/zinc/13/43/15/882134315.db2.gz ZLYCCUSPIKPVRX-HOTGVXAUSA-N 1 1 404.536 4.028 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443641468 868223641 /nfs/dbraw/zinc/22/36/41/868223641.db2.gz PRDUEMQKZKTZGY-MRXNPFEDSA-N 1 1 403.866 4.039 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000443954556 868489367 /nfs/dbraw/zinc/48/93/67/868489367.db2.gz BNHKCQHUAQTDOA-MRXNPFEDSA-N 1 1 402.520 4.307 20 5 HIBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000443962951 868496652 /nfs/dbraw/zinc/49/66/52/868496652.db2.gz LUIVRXCLOABJOY-LJQANCHMSA-N 1 1 414.506 4.043 20 5 HIBDMO CCNc1ccc(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000444011830 868535146 /nfs/dbraw/zinc/53/51/46/868535146.db2.gz KLTCIWNEWXMFPK-LJQANCHMSA-N 1 1 410.518 4.011 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444020749 868546766 /nfs/dbraw/zinc/54/67/66/868546766.db2.gz GIINGSWFCJLETO-UHFFFAOYSA-N 1 1 423.532 4.405 20 5 HIBDMO C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000444307849 868739398 /nfs/dbraw/zinc/73/93/98/868739398.db2.gz MGKXBGFMBZBIGH-AEFFLSMTSA-N 1 1 403.526 4.064 20 5 HIBDMO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000444675183 868951783 /nfs/dbraw/zinc/95/17/83/868951783.db2.gz LTUHHZJVASTEAU-VXGBXAGGSA-N 1 1 403.389 4.017 20 5 HIBDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444846865 869051392 /nfs/dbraw/zinc/05/13/92/869051392.db2.gz ICBFNPQFKYFFBL-LJQANCHMSA-N 1 1 411.505 4.076 20 5 HIBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444846865 869051401 /nfs/dbraw/zinc/05/14/01/869051401.db2.gz ICBFNPQFKYFFBL-LJQANCHMSA-N 1 1 411.505 4.076 20 5 HIBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000444929434 869113383 /nfs/dbraw/zinc/11/33/83/869113383.db2.gz YDGYZYOUQVOVBK-VQIMIIECSA-N 1 1 412.490 4.293 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2noc([C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)s1 ZINC000445480453 869552795 /nfs/dbraw/zinc/55/27/95/869552795.db2.gz ZBAQBLGCYWGZMP-QGZVFWFLSA-N 1 1 424.404 4.412 20 5 HIBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 ZINC000446049451 870012457 /nfs/dbraw/zinc/01/24/57/870012457.db2.gz CDRNRJPOPIDWKB-UHFFFAOYSA-N 1 1 413.521 4.452 20 5 HIBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000446881341 870801869 /nfs/dbraw/zinc/80/18/69/870801869.db2.gz PMCLOLJJPBNTTJ-UHFFFAOYSA-N 1 1 407.474 4.187 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000446977771 870875562 /nfs/dbraw/zinc/87/55/62/870875562.db2.gz RIRYBXGMWBZFHV-YVEFUNNKSA-N 1 1 400.422 4.459 20 5 HIBDMO C[C@@H](NC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1)c1ccccc1 ZINC000447545206 871411995 /nfs/dbraw/zinc/41/19/95/871411995.db2.gz WOZFVVXQCHYNSB-WZONZLPQSA-N 1 1 409.530 4.462 20 5 HIBDMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448444072 872386526 /nfs/dbraw/zinc/38/65/26/872386526.db2.gz APCKJFQKXPPQRN-PGRDOPGGSA-N 1 1 420.513 4.427 20 5 HIBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461470881 874527592 /nfs/dbraw/zinc/52/75/92/874527592.db2.gz JJYXYSBHXMWKRL-LJQANCHMSA-N 1 1 413.543 4.105 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462477072 875583021 /nfs/dbraw/zinc/58/30/21/875583021.db2.gz VJMLONHFTHPSOK-LSDHHAIUSA-N 1 1 413.503 4.146 20 5 HIBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462489451 875600010 /nfs/dbraw/zinc/60/00/10/875600010.db2.gz NNYVIEILWODWLA-SFHVURJKSA-N 1 1 407.474 4.169 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551166 875675990 /nfs/dbraw/zinc/67/59/90/875675990.db2.gz MKLDRZZLRSQUFK-IIBYNOLFSA-N 1 1 408.527 4.328 20 5 HIBDMO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551166 875676005 /nfs/dbraw/zinc/67/60/05/875676005.db2.gz MKLDRZZLRSQUFK-IIBYNOLFSA-N 1 1 408.527 4.328 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462621716 875733082 /nfs/dbraw/zinc/73/30/82/875733082.db2.gz RZDKCRBPAVSZKU-DENIHFKCSA-N 1 1 409.530 4.287 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462641895 875752736 /nfs/dbraw/zinc/75/27/36/875752736.db2.gz OFHRLTOPBWMSRM-SMKKKYSBSA-N 1 1 423.557 4.436 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1C ZINC000462766567 875827248 /nfs/dbraw/zinc/82/72/48/875827248.db2.gz VEHHAKYQNKZEDT-CQSZACIVSA-N 1 1 414.849 4.457 20 5 HIBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cc2)c1C ZINC000462765864 875827613 /nfs/dbraw/zinc/82/76/13/875827613.db2.gz UXTXPQQTRXZUJA-UHFFFAOYSA-N 1 1 402.357 4.251 20 5 HIBDMO C[N@H+]1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1cccs1 ZINC000462882208 875910370 /nfs/dbraw/zinc/91/03/70/875910370.db2.gz SDQYKTBISBQXSO-VLIAUNLRSA-N 1 1 400.504 4.036 20 5 HIBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000462983983 875996612 /nfs/dbraw/zinc/99/66/12/875996612.db2.gz BFJCSJYPYOYHFM-JTHBVZDNSA-N 1 1 424.545 4.072 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000463964506 877089660 /nfs/dbraw/zinc/08/96/60/877089660.db2.gz OHBJAGPRFLWKPO-DNVCBOLYSA-N 1 1 402.520 4.478 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)o1 ZINC000503241491 912220006 /nfs/dbraw/zinc/22/00/06/912220006.db2.gz AZDBKGAVUNBVLJ-KRWDZBQOSA-N 1 1 417.259 4.441 20 5 HIBDMO COc1cc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000464571588 877793559 /nfs/dbraw/zinc/79/35/59/877793559.db2.gz DUSHWDSFWREFQJ-UHFFFAOYSA-N 1 1 418.465 4.193 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464760945 878003139 /nfs/dbraw/zinc/00/31/39/878003139.db2.gz KIRXFPMINGSRMT-HOTGVXAUSA-N 1 1 415.515 4.045 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464760945 878003157 /nfs/dbraw/zinc/00/31/57/878003157.db2.gz KIRXFPMINGSRMT-HOTGVXAUSA-N 1 1 415.515 4.045 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464760947 878005250 /nfs/dbraw/zinc/00/52/50/878005250.db2.gz KIRXFPMINGSRMT-JKSUJKDBSA-N 1 1 415.515 4.045 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464760947 878005270 /nfs/dbraw/zinc/00/52/70/878005270.db2.gz KIRXFPMINGSRMT-JKSUJKDBSA-N 1 1 415.515 4.045 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000465184723 878575918 /nfs/dbraw/zinc/57/59/18/878575918.db2.gz KVIPZFUKEUFTJV-QGZVFWFLSA-N 1 1 411.502 4.232 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2)C1 ZINC000465195883 878596261 /nfs/dbraw/zinc/59/62/61/878596261.db2.gz OHNFTJUSMAAWDF-AWEZNQCLSA-N 1 1 403.866 4.221 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)C1 ZINC000465196455 878598370 /nfs/dbraw/zinc/59/83/70/878598370.db2.gz STDDFDJRMKDGKP-INIZCTEOSA-N 1 1 424.501 4.142 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465573966 879048376 /nfs/dbraw/zinc/04/83/76/879048376.db2.gz ORGRIZKHTDUVJP-GOSISDBHSA-N 1 1 410.518 4.011 20 5 HIBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000465977715 879649187 /nfs/dbraw/zinc/64/91/87/879649187.db2.gz HUKZDDDWPKIVGP-JOCHJYFZSA-N 1 1 424.545 4.081 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466513080 880287088 /nfs/dbraw/zinc/28/70/88/880287088.db2.gz GYAMZCPYQAXBJD-NQIIRXRSSA-N 1 1 410.518 4.178 20 5 HIBDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000467451275 881254171 /nfs/dbraw/zinc/25/41/71/881254171.db2.gz UDTYZXFKWOWNHQ-CRAIPNDOSA-N 1 1 416.909 4.101 20 5 HIBDMO CCN1CCC[C@@H](C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216736 884544286 /nfs/dbraw/zinc/54/42/86/884544286.db2.gz BPTZZYSNNMUQRD-BZSCIHHFSA-N 1 1 411.550 4.137 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000470979577 885480770 /nfs/dbraw/zinc/48/07/70/885480770.db2.gz LOJPGVILMOBLKS-MJGOQNOKSA-N 1 1 411.502 4.119 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178972 885742401 /nfs/dbraw/zinc/74/24/01/885742401.db2.gz UQMKRHXMKWMGEA-RXVVDRJESA-N 1 1 419.485 4.186 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178972 885742419 /nfs/dbraw/zinc/74/24/19/885742419.db2.gz UQMKRHXMKWMGEA-RXVVDRJESA-N 1 1 419.485 4.186 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178970 885743184 /nfs/dbraw/zinc/74/31/84/885743184.db2.gz UQMKRHXMKWMGEA-GHTZIAJQSA-N 1 1 419.485 4.186 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178970 885743190 /nfs/dbraw/zinc/74/31/90/885743190.db2.gz UQMKRHXMKWMGEA-GHTZIAJQSA-N 1 1 419.485 4.186 20 5 HIBDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC[N@H+]2C2CC2)c1 ZINC000471937585 886734024 /nfs/dbraw/zinc/73/40/24/886734024.db2.gz SUFHXOLWVWXCIK-SIKLNZKXSA-N 1 1 424.501 4.320 20 5 HIBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1c1ccc(Cl)cc1Cl ZINC000474008257 888866146 /nfs/dbraw/zinc/86/61/46/888866146.db2.gz HZONIYFSZNBSJA-CYBMUJFWSA-N 1 1 400.287 4.248 20 5 HIBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000474561855 889439205 /nfs/dbraw/zinc/43/92/05/889439205.db2.gz FADOZWGUSMDVGV-UHFFFAOYSA-N 1 1 416.909 4.027 20 5 HIBDMO CC(C)c1ccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1[N+](=O)[O-] ZINC000475085808 889932509 /nfs/dbraw/zinc/93/25/09/889932509.db2.gz FVCUQCDHCPEPDX-IRXDYDNUSA-N 1 1 406.527 4.219 20 5 HIBDMO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475314157 890229994 /nfs/dbraw/zinc/22/99/94/890229994.db2.gz RVTHWOBNUSPKNK-LJQANCHMSA-N 1 1 422.510 4.065 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000475627345 890565126 /nfs/dbraw/zinc/56/51/26/890565126.db2.gz QVNXCLAKLQMCQL-YCRPNKLZSA-N 1 1 418.877 4.420 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000475645784 890588584 /nfs/dbraw/zinc/58/85/84/890588584.db2.gz OUQJTHXFBZVOMH-LPHOPBHVSA-N 1 1 402.882 4.432 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000475645784 890588586 /nfs/dbraw/zinc/58/85/86/890588586.db2.gz OUQJTHXFBZVOMH-LPHOPBHVSA-N 1 1 402.882 4.432 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477062665 891994558 /nfs/dbraw/zinc/99/45/58/891994558.db2.gz HNCCVWGPMLUZCT-UHFFFAOYSA-N 1 1 419.437 4.211 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000477375358 892336803 /nfs/dbraw/zinc/33/68/03/892336803.db2.gz RZOXMJJTHUADEI-YJBOKZPZSA-N 1 1 401.894 4.340 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000477375355 892336929 /nfs/dbraw/zinc/33/69/29/892336929.db2.gz RZOXMJJTHUADEI-QAPCUYQASA-N 1 1 401.894 4.340 20 5 HIBDMO NC(=O)c1ccc(C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000477997990 893099861 /nfs/dbraw/zinc/09/98/61/893099861.db2.gz HQURVMIRFTZRDF-UHFFFAOYSA-N 1 1 405.376 4.002 20 5 HIBDMO NC(=O)c1ccc(C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000477997990 893099880 /nfs/dbraw/zinc/09/98/80/893099880.db2.gz HQURVMIRFTZRDF-UHFFFAOYSA-N 1 1 405.376 4.002 20 5 HIBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000478036923 893168322 /nfs/dbraw/zinc/16/83/22/893168322.db2.gz WRSZWOUSFHLDPI-KRWDZBQOSA-N 1 1 402.520 4.260 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478235973 893398695 /nfs/dbraw/zinc/39/86/95/893398695.db2.gz LUCYWEVKXWFCSG-MRXNPFEDSA-N 1 1 404.511 4.112 20 5 HIBDMO CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000478387951 893661692 /nfs/dbraw/zinc/66/16/92/893661692.db2.gz SRUXJZTZIVUIQX-QFIPXVFZSA-N 1 1 407.445 4.098 20 5 HIBDMO C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000478616770 893878439 /nfs/dbraw/zinc/87/84/39/893878439.db2.gz BTFLDEPGCJQRSL-CHWSQXEVSA-N 1 1 419.469 4.085 20 5 HIBDMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000479416108 894726352 /nfs/dbraw/zinc/72/63/52/894726352.db2.gz HLUGRQRASVRRLJ-MRXNPFEDSA-N 1 1 414.483 4.115 20 5 HIBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505329632 913993472 /nfs/dbraw/zinc/99/34/72/913993472.db2.gz FBYVNRJAKBNPOL-IBGZPJMESA-N 1 1 416.522 4.342 20 5 HIBDMO C[N@@H+]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2C1 ZINC000505424326 914088145 /nfs/dbraw/zinc/08/81/45/914088145.db2.gz ZVNBICYPTJZCHW-UHFFFAOYSA-N 1 1 416.481 4.299 20 5 HIBDMO C[N@H+]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2C1 ZINC000505424326 914088164 /nfs/dbraw/zinc/08/81/64/914088164.db2.gz ZVNBICYPTJZCHW-UHFFFAOYSA-N 1 1 416.481 4.299 20 5 HIBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481283352 896630255 /nfs/dbraw/zinc/63/02/55/896630255.db2.gz LTWJIJCPSCKKJY-ZWKOTPCHSA-N 1 1 415.877 4.397 20 5 HIBDMO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481545263 896907435 /nfs/dbraw/zinc/90/74/35/896907435.db2.gz QZAOSBPJWGCRRX-SGTLLEGYSA-N 1 1 402.838 4.164 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000481691253 897077499 /nfs/dbraw/zinc/07/74/99/897077499.db2.gz WOUHBWPPGLICBF-KRWDZBQOSA-N 1 1 413.543 4.378 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481693546 897079138 /nfs/dbraw/zinc/07/91/38/897079138.db2.gz SVMMCJIEVSMWSK-OYHNWAKOSA-N 1 1 406.442 4.227 20 5 HIBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481693546 897079152 /nfs/dbraw/zinc/07/91/52/897079152.db2.gz SVMMCJIEVSMWSK-OYHNWAKOSA-N 1 1 406.442 4.227 20 5 HIBDMO CNC(=O)C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1 ZINC000481838528 897205365 /nfs/dbraw/zinc/20/53/65/897205365.db2.gz RRMSVAPQVHFLJQ-IBGZPJMESA-N 1 1 413.861 4.475 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000481842860 897208968 /nfs/dbraw/zinc/20/89/68/897208968.db2.gz QIFOJRQCWUSUIM-UHFFFAOYSA-N 1 1 403.866 4.075 20 5 HIBDMO CCc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481875679 897247776 /nfs/dbraw/zinc/24/77/76/897247776.db2.gz QGJPRVHTKZIRAT-VXKWHMMOSA-N 1 1 407.514 4.284 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000482084436 897524415 /nfs/dbraw/zinc/52/44/15/897524415.db2.gz OZRBFRQJOILIFI-KNQAVFIVSA-N 1 1 421.453 4.057 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[N@H+]2C2CC2)c1 ZINC000482084436 897524426 /nfs/dbraw/zinc/52/44/26/897524426.db2.gz OZRBFRQJOILIFI-KNQAVFIVSA-N 1 1 421.453 4.057 20 5 HIBDMO CC(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000482494067 898073647 /nfs/dbraw/zinc/07/36/47/898073647.db2.gz PRWNPMJMTGAMRC-UHFFFAOYSA-N 1 1 416.909 4.027 20 5 HIBDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000482664595 898266998 /nfs/dbraw/zinc/26/69/98/898266998.db2.gz PQYCANPATONHKF-HNNXBMFYSA-N 1 1 400.454 4.159 20 5 HIBDMO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482793292 898400446 /nfs/dbraw/zinc/40/04/46/898400446.db2.gz RIDUBTYREWYOIY-PZJWPPBQSA-N 1 1 408.502 4.422 20 5 HIBDMO CCc1ccc([C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[NH2+]2)cc1 ZINC000505564427 914268484 /nfs/dbraw/zinc/26/84/84/914268484.db2.gz DXRITQASOZLKPO-LJQANCHMSA-N 1 1 422.510 4.067 20 5 HIBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC[C@H]21 ZINC000483165488 898834406 /nfs/dbraw/zinc/83/44/06/898834406.db2.gz CGLPKYXEFVZCJM-HRAATJIYSA-N 1 1 410.474 4.335 20 5 HIBDMO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483593687 899244169 /nfs/dbraw/zinc/24/41/69/899244169.db2.gz ONFNTPJPEBBQAU-NZQKXSOJSA-N 1 1 421.541 4.386 20 5 HIBDMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000484793925 900198692 /nfs/dbraw/zinc/19/86/92/900198692.db2.gz QMZIPEPQLGCCDU-FQEVSTJZSA-N 1 1 407.495 4.186 20 5 HIBDMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000484793925 900198701 /nfs/dbraw/zinc/19/87/01/900198701.db2.gz QMZIPEPQLGCCDU-FQEVSTJZSA-N 1 1 407.495 4.186 20 5 HIBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[N@H+]1C ZINC000485385584 900682028 /nfs/dbraw/zinc/68/20/28/900682028.db2.gz RPKBNFRIRRDSOX-HOCLYGCPSA-N 1 1 416.909 4.073 20 5 HIBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486213337 901397613 /nfs/dbraw/zinc/39/76/13/901397613.db2.gz GSHZEKBBNNOIOD-UHFFFAOYSA-N 1 1 418.925 4.130 20 5 HIBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1SC ZINC000505906926 914549459 /nfs/dbraw/zinc/54/94/59/914549459.db2.gz QHXGOSZKCRGLTC-HZPDHXFCSA-N 1 1 421.563 4.052 20 5 HIBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000505917444 914560940 /nfs/dbraw/zinc/56/09/40/914560940.db2.gz QCEGSKIUWLEHJG-UHFFFAOYSA-N 1 1 409.255 4.292 20 5 HIBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000487258634 902122217 /nfs/dbraw/zinc/12/22/17/902122217.db2.gz SAEZMIZQVRVTAR-UHFFFAOYSA-N 1 1 409.364 4.001 20 5 HIBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@H]21 ZINC000488467206 902839981 /nfs/dbraw/zinc/83/99/81/902839981.db2.gz WWQUQOPGZOORRB-DYESRHJHSA-N 1 1 411.527 4.302 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000488773106 902989191 /nfs/dbraw/zinc/98/91/91/902989191.db2.gz YFVMQMLHNNMRRY-QFIPXVFZSA-N 1 1 419.485 4.117 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489486771 903415322 /nfs/dbraw/zinc/41/53/22/903415322.db2.gz SIGWVAXBTZMKKD-PXNSSMCTSA-N 1 1 410.518 4.040 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489509331 903429928 /nfs/dbraw/zinc/42/99/28/903429928.db2.gz GRQRSOPVFYBIHB-AUSIDOKSSA-N 1 1 424.545 4.425 20 5 HIBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342799 903935464 /nfs/dbraw/zinc/93/54/64/903935464.db2.gz VOPJFRRTFNDWFS-ZIAGYGMSSA-N 1 1 404.479 4.353 20 5 HIBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl ZINC000490788251 904233816 /nfs/dbraw/zinc/23/38/16/904233816.db2.gz BHQHLLDYCJAROS-UHFFFAOYSA-N 1 1 403.866 4.250 20 5 HIBDMO C[C@@H](OC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830267 904273407 /nfs/dbraw/zinc/27/34/07/904273407.db2.gz WNSNEIVCVFASNW-VFNWGFHPSA-N 1 1 404.894 4.351 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc5ccccn54)C3)o2)cc1 ZINC000506136482 914818531 /nfs/dbraw/zinc/81/85/31/914818531.db2.gz KSMDCRXMJZBCBE-QGZVFWFLSA-N 1 1 403.442 4.277 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)o1 ZINC000506146689 914823393 /nfs/dbraw/zinc/82/33/93/914823393.db2.gz FFEHOTZZFFRQFQ-INIZCTEOSA-N 1 1 403.442 4.277 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)o1 ZINC000506146690 914823449 /nfs/dbraw/zinc/82/34/49/914823449.db2.gz FFEHOTZZFFRQFQ-MRXNPFEDSA-N 1 1 403.442 4.277 20 5 HIBDMO COc1ccccc1-c1ncc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000491403056 904581364 /nfs/dbraw/zinc/58/13/64/904581364.db2.gz WKPIFLHXGMRGHA-UHFFFAOYSA-N 1 1 418.375 4.369 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493210872 905052492 /nfs/dbraw/zinc/05/24/92/905052492.db2.gz NOVKJEOJUGDYCV-LBPRGKRZSA-N 1 1 409.273 4.147 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493210872 905052514 /nfs/dbraw/zinc/05/25/14/905052514.db2.gz NOVKJEOJUGDYCV-LBPRGKRZSA-N 1 1 409.273 4.147 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c([N+](=O)[O-])c2)cc1 ZINC000493637051 905178321 /nfs/dbraw/zinc/17/83/21/905178321.db2.gz URSBYVKULOKETB-ICSRJNTNSA-N 1 1 408.502 4.076 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)co2)cc1 ZINC000493961607 905312077 /nfs/dbraw/zinc/31/20/77/905312077.db2.gz QOJKWMUZMXBLGU-RBUKOAKNSA-N 1 1 401.369 4.148 20 5 HIBDMO COC(=O)COc1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000494039789 905382616 /nfs/dbraw/zinc/38/26/16/905382616.db2.gz QECOGSQKHNMKAD-HSZRJFAPSA-N 1 1 406.438 4.026 20 5 HIBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000512416465 921144978 /nfs/dbraw/zinc/14/49/78/921144978.db2.gz UIPZGNRMJBHISU-MRXNPFEDSA-N 1 1 401.532 4.452 20 5 HIBDMO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cccc2[nH]ccc21 ZINC000494100640 905433450 /nfs/dbraw/zinc/43/34/50/905433450.db2.gz YFXOPBPTHQTRDZ-UHFFFAOYSA-N 1 1 421.482 4.270 20 5 HIBDMO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cccc2[nH]ccc21 ZINC000494100640 905433472 /nfs/dbraw/zinc/43/34/72/905433472.db2.gz YFXOPBPTHQTRDZ-UHFFFAOYSA-N 1 1 421.482 4.270 20 5 HIBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000512455843 921173365 /nfs/dbraw/zinc/17/33/65/921173365.db2.gz JAWCRXVELCOVPC-INIZCTEOSA-N 1 1 401.532 4.308 20 5 HIBDMO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000494512953 905804927 /nfs/dbraw/zinc/80/49/27/905804927.db2.gz KSVGNGRBOQREIH-AWEZNQCLSA-N 1 1 411.424 4.405 20 5 HIBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@H]2C1 ZINC000495092896 906233269 /nfs/dbraw/zinc/23/32/69/906233269.db2.gz YGAIHXQRSMCHSC-UGSOOPFHSA-N 1 1 420.307 4.143 20 5 HIBDMO CN1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@H]2C1 ZINC000495092896 906233282 /nfs/dbraw/zinc/23/32/82/906233282.db2.gz YGAIHXQRSMCHSC-UGSOOPFHSA-N 1 1 420.307 4.143 20 5 HIBDMO CN1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@H]2C1 ZINC000495092896 906233296 /nfs/dbraw/zinc/23/32/96/906233296.db2.gz YGAIHXQRSMCHSC-UGSOOPFHSA-N 1 1 420.307 4.143 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)CSc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000512570920 921243322 /nfs/dbraw/zinc/24/33/22/921243322.db2.gz XDORDNOUNANDOU-HKUYNNGSSA-N 1 1 413.543 4.104 20 5 HIBDMO COc1cc(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OC ZINC000512683665 921286576 /nfs/dbraw/zinc/28/65/76/921286576.db2.gz VSUQSABCRFPHLY-UHFFFAOYSA-N 1 1 411.458 4.332 20 5 HIBDMO CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952382 907421449 /nfs/dbraw/zinc/42/14/49/907421449.db2.gz OLCQVCKCLUPNPN-YLJYHZDGSA-N 1 1 411.502 4.291 20 5 HIBDMO CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952375 907421574 /nfs/dbraw/zinc/42/15/74/907421574.db2.gz OLCQVCKCLUPNPN-PXNSSMCTSA-N 1 1 411.502 4.291 20 5 HIBDMO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1Cc1ccccc1 ZINC000498416579 907891652 /nfs/dbraw/zinc/89/16/52/907891652.db2.gz CMNCXDFGCUHLPN-HKUYNNGSSA-N 1 1 418.497 4.174 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC000498559361 908020435 /nfs/dbraw/zinc/02/04/35/908020435.db2.gz IIMQDAQTGNBJAN-CTNGQTDRSA-N 1 1 410.474 4.011 20 5 HIBDMO CC[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000499125018 908481582 /nfs/dbraw/zinc/48/15/82/908481582.db2.gz YQDOFERDOIWZGX-LADGPHEKSA-N 1 1 422.529 4.354 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N3CC[NH+](C4CCC4)CC3)cc2[N+](=O)[O-])cc1 ZINC000499607371 908854483 /nfs/dbraw/zinc/85/44/83/908854483.db2.gz CNPHKTPLSBVOGR-UHFFFAOYSA-N 1 1 411.527 4.365 20 5 HIBDMO COc1ccc(OC)c(C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000500085744 909563956 /nfs/dbraw/zinc/56/39/56/909563956.db2.gz BAEGPRTZQCRJKY-UHFFFAOYSA-N 1 1 415.490 4.241 20 5 HIBDMO O=C(CC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501012699 910233952 /nfs/dbraw/zinc/23/39/52/910233952.db2.gz WNAYPINONCJQRM-HNNXBMFYSA-N 1 1 407.392 4.432 20 5 HIBDMO O=C(CC[N@@H+](Cc1csc(Br)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501021849 910238772 /nfs/dbraw/zinc/23/87/72/910238772.db2.gz ICCRRFBTIVYVAM-UHFFFAOYSA-N 1 1 424.320 4.412 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC=Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000501717316 910785400 /nfs/dbraw/zinc/78/54/00/910785400.db2.gz UHFFTQNFYMZLFZ-AJWDXOCTSA-N 1 1 423.517 4.339 20 5 HIBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506294827 914889977 /nfs/dbraw/zinc/88/99/77/914889977.db2.gz LHRWXYSQLIRCEY-DZGCQCFKSA-N 1 1 420.416 4.153 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)o1 ZINC000506322442 914923573 /nfs/dbraw/zinc/92/35/73/914923573.db2.gz BGKBWUYEISTDEQ-UHFFFAOYSA-N 1 1 421.482 4.182 20 5 HIBDMO CCOC[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000506487576 915095841 /nfs/dbraw/zinc/09/58/41/915095841.db2.gz PCRFZULGSQOASF-PGRDOPGGSA-N 1 1 411.502 4.332 20 5 HIBDMO CCOC[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000506487576 915095864 /nfs/dbraw/zinc/09/58/64/915095864.db2.gz PCRFZULGSQOASF-PGRDOPGGSA-N 1 1 411.502 4.332 20 5 HIBDMO COc1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000506560328 915205407 /nfs/dbraw/zinc/20/54/07/915205407.db2.gz IVCAALCPXWMDKP-GOSISDBHSA-N 1 1 412.486 4.183 20 5 HIBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000506617023 915272562 /nfs/dbraw/zinc/27/25/62/915272562.db2.gz HMBJUBZIXYDPSA-FQEVSTJZSA-N 1 1 422.485 4.350 20 5 HIBDMO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)c(F)c1F ZINC000506776795 915495196 /nfs/dbraw/zinc/49/51/96/915495196.db2.gz ZEPUPSUCBWEYHR-ALCCZGGFSA-N 1 1 407.392 4.376 20 5 HIBDMO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)c(F)c1F ZINC000506776795 915495216 /nfs/dbraw/zinc/49/52/16/915495216.db2.gz ZEPUPSUCBWEYHR-ALCCZGGFSA-N 1 1 407.392 4.376 20 5 HIBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507121671 915878569 /nfs/dbraw/zinc/87/85/69/915878569.db2.gz PWNLBYXSCDBRBF-UHFFFAOYSA-N 1 1 401.894 4.029 20 5 HIBDMO CC(C)[N@@H+](Cc1cnc2ccc(Br)cn12)Cc1ccc([N+](=O)[O-])cc1 ZINC000507151100 915892632 /nfs/dbraw/zinc/89/26/32/915892632.db2.gz ABEPGHCEFQJNFM-UHFFFAOYSA-N 1 1 403.280 4.416 20 5 HIBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000507602500 916358450 /nfs/dbraw/zinc/35/84/50/916358450.db2.gz QOCRSVVQUDNIPK-UHFFFAOYSA-N 1 1 418.457 4.100 20 5 HIBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508582824 917353049 /nfs/dbraw/zinc/35/30/49/917353049.db2.gz NYXCZPRVBLKCRE-UKRRQHHQSA-N 1 1 403.866 4.126 20 5 HIBDMO CC[N@H+]1CCC[C@@H](CN(C)c2cc(C)nc3c2cccc3[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000509615150 918263285 /nfs/dbraw/zinc/26/32/85/918263285.db2.gz DGEKWFDZSIZZBR-GAJHUEQPSA-N 1 1 422.533 4.094 20 5 HIBDMO COc1cc(CNCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509615207 918264128 /nfs/dbraw/zinc/26/41/28/918264128.db2.gz DBLZNWCKVZRCRB-SFHVURJKSA-N 1 1 413.518 4.146 20 5 HIBDMO COc1cc(C[NH2+]CCN2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509615207 918264133 /nfs/dbraw/zinc/26/41/33/918264133.db2.gz DBLZNWCKVZRCRB-SFHVURJKSA-N 1 1 413.518 4.146 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000510099614 918663144 /nfs/dbraw/zinc/66/31/44/918663144.db2.gz PFADXKOOIOZQLZ-WMZOPIPTSA-N 1 1 413.543 4.347 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000510114809 918676216 /nfs/dbraw/zinc/67/62/16/918676216.db2.gz AEHSJZVASXNYLK-FUHWJXTLSA-N 1 1 415.921 4.208 20 5 HIBDMO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000510117218 918678184 /nfs/dbraw/zinc/67/81/84/918678184.db2.gz HNUFYPTWGSCOLE-UHFFFAOYSA-N 1 1 421.457 4.036 20 5 HIBDMO CCCC[N@H+](C)CC1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510256211 918789588 /nfs/dbraw/zinc/78/95/88/918789588.db2.gz BJJBNOHQXYFNCY-MRXNPFEDSA-N 1 1 401.511 4.150 20 5 HIBDMO CCCC[N@@H+](C)CC1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510256211 918789594 /nfs/dbraw/zinc/78/95/94/918789594.db2.gz BJJBNOHQXYFNCY-MRXNPFEDSA-N 1 1 401.511 4.150 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510554527 918999358 /nfs/dbraw/zinc/99/93/58/918999358.db2.gz QYRJGFIYTUSDHQ-IBGZPJMESA-N 1 1 422.485 4.285 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000510827506 919308086 /nfs/dbraw/zinc/30/80/86/919308086.db2.gz VSNLTGHSRJKPGM-LJQANCHMSA-N 1 1 424.545 4.353 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000510827505 919308467 /nfs/dbraw/zinc/30/84/67/919308467.db2.gz VSNLTGHSRJKPGM-IBGZPJMESA-N 1 1 424.545 4.353 20 5 HIBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000511066561 919667726 /nfs/dbraw/zinc/66/77/26/919667726.db2.gz SDCGFFBWVVIQKH-UHFFFAOYSA-N 1 1 406.364 4.338 20 5 HIBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000511066561 919667738 /nfs/dbraw/zinc/66/77/38/919667738.db2.gz SDCGFFBWVVIQKH-UHFFFAOYSA-N 1 1 406.364 4.338 20 5 HIBDMO CN(C(=O)C[NH+]1CCC(C)(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000511121336 919732887 /nfs/dbraw/zinc/73/28/87/919732887.db2.gz DYXDCWHMNNHXOE-UHFFFAOYSA-N 1 1 424.526 4.221 20 5 HIBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511233766 919838490 /nfs/dbraw/zinc/83/84/90/919838490.db2.gz MYQPRZAJKYBAMC-IEBWSBKVSA-N 1 1 402.539 4.168 20 5 HIBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511279986 919875692 /nfs/dbraw/zinc/87/56/92/919875692.db2.gz XUIIIULMAJCMQQ-UHFFFAOYSA-N 1 1 403.482 4.499 20 5 HIBDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000512192249 920935173 /nfs/dbraw/zinc/93/51/73/920935173.db2.gz ATZCVRWIASIIQU-HNNXBMFYSA-N 1 1 403.866 4.270 20 5 HIBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512232734 920985953 /nfs/dbraw/zinc/98/59/53/920985953.db2.gz DWSITNBDPQGLAW-INIZCTEOSA-N 1 1 408.380 4.010 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@@H]1CCCOC1 ZINC000513457431 921822195 /nfs/dbraw/zinc/82/21/95/921822195.db2.gz XEAKZMKPUYSRGI-ZDUSSCGKSA-N 1 1 409.280 4.476 20 5 HIBDMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000515072683 922893933 /nfs/dbraw/zinc/89/39/33/922893933.db2.gz SQZXUJBZYRLUDZ-AWEZNQCLSA-N 1 1 400.866 4.458 20 5 HIBDMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000515072683 922893935 /nfs/dbraw/zinc/89/39/35/922893935.db2.gz SQZXUJBZYRLUDZ-AWEZNQCLSA-N 1 1 400.866 4.458 20 5 HIBDMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000515509250 923143540 /nfs/dbraw/zinc/14/35/40/923143540.db2.gz STCFSQWXSVEPMV-ZWKOTPCHSA-N 1 1 410.518 4.387 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@H](C)O1 ZINC000515546472 923167781 /nfs/dbraw/zinc/16/77/81/923167781.db2.gz WQKRYYVNRVBREJ-CALCHBBNSA-N 1 1 406.486 4.364 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000516273142 923639597 /nfs/dbraw/zinc/63/95/97/923639597.db2.gz VAIFTGLOHMSTRN-UHFFFAOYSA-N 1 1 406.845 4.127 20 5 HIBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000516273142 923639608 /nfs/dbraw/zinc/63/96/08/923639608.db2.gz VAIFTGLOHMSTRN-UHFFFAOYSA-N 1 1 406.845 4.127 20 5 HIBDMO O=[N+]([O-])c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(-c2cccs2)c1 ZINC000516320655 923661985 /nfs/dbraw/zinc/66/19/85/923661985.db2.gz WKHAGRWIVDKQCR-LJQANCHMSA-N 1 1 410.495 4.121 20 5 HIBDMO COc1ccccc1[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000517457271 924202679 /nfs/dbraw/zinc/20/26/79/924202679.db2.gz YSMIINOZAPTIFN-LJQANCHMSA-N 1 1 423.469 4.307 20 5 HIBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000518125064 927034556 /nfs/dbraw/zinc/03/45/56/927034556.db2.gz GFMMKILPNXWVDK-AWEZNQCLSA-N 1 1 403.866 4.112 20 5 HIBDMO C[N@@H+](CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000520960201 928890636 /nfs/dbraw/zinc/89/06/36/928890636.db2.gz QBBQULCCJJYJJR-UHFFFAOYSA-N 1 1 419.529 4.412 20 5 HIBDMO CN(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000520960201 928890640 /nfs/dbraw/zinc/89/06/40/928890640.db2.gz QBBQULCCJJYJJR-UHFFFAOYSA-N 1 1 419.529 4.412 20 5 HIBDMO CC1CCC(OC2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)CC1 ZINC000521255356 929085774 /nfs/dbraw/zinc/08/57/74/929085774.db2.gz BSFQTQCYRQMHKG-UHFFFAOYSA-N 1 1 400.479 4.205 20 5 HIBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000521319639 929131580 /nfs/dbraw/zinc/13/15/80/929131580.db2.gz FNANYGAPYZSVMS-AWEZNQCLSA-N 1 1 412.252 4.136 20 5 HIBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000525621280 930367861 /nfs/dbraw/zinc/36/78/61/930367861.db2.gz PZURWQDXPAQXCG-LAUBAEHRSA-N 1 1 410.518 4.009 20 5 HIBDMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000530671074 930793726 /nfs/dbraw/zinc/79/37/26/930793726.db2.gz GSMHLJBENLWSHC-OAQYLSRUSA-N 1 1 411.458 4.064 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000532691836 931587681 /nfs/dbraw/zinc/58/76/81/931587681.db2.gz YNSCOSHUCZDGTK-OAHLLOKOSA-N 1 1 412.421 4.172 20 5 HIBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532980283 931724595 /nfs/dbraw/zinc/72/45/95/931724595.db2.gz LZXXLSOCGRMHPD-CQSZACIVSA-N 1 1 403.866 4.109 20 5 HIBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000533047759 931753147 /nfs/dbraw/zinc/75/31/47/931753147.db2.gz NNULPAFQEYPGGT-MRXNPFEDSA-N 1 1 412.421 4.042 20 5 HIBDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533251120 931819231 /nfs/dbraw/zinc/81/92/31/931819231.db2.gz FBMGBQJLHYKEPW-CYBMUJFWSA-N 1 1 407.392 4.196 20 5 HIBDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533251120 931819234 /nfs/dbraw/zinc/81/92/34/931819234.db2.gz FBMGBQJLHYKEPW-CYBMUJFWSA-N 1 1 407.392 4.196 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000533427477 931865886 /nfs/dbraw/zinc/86/58/86/931865886.db2.gz SWHPWJFYPZKCGQ-QVKFZJNVSA-N 1 1 415.515 4.111 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000533471157 931877797 /nfs/dbraw/zinc/87/77/97/931877797.db2.gz XWESWZQGKUDAAJ-HUUCEWRRSA-N 1 1 410.499 4.411 20 5 HIBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000533471157 931877799 /nfs/dbraw/zinc/87/77/99/931877799.db2.gz XWESWZQGKUDAAJ-HUUCEWRRSA-N 1 1 410.499 4.411 20 5 HIBDMO C[N@@H+](C[C@@H]1CCC[C@@H]1O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000535115189 932931851 /nfs/dbraw/zinc/93/18/51/932931851.db2.gz DLLQEDFSEOQJAE-RYGJVYDSSA-N 1 1 417.893 4.021 20 5 HIBDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-n2ccnn2)cc1 ZINC000535185927 933001660 /nfs/dbraw/zinc/00/16/60/933001660.db2.gz PELBKUNHKMPBAZ-CQSZACIVSA-N 1 1 406.471 4.150 20 5 HIBDMO COc1cccc(NC2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000535556597 933241100 /nfs/dbraw/zinc/24/11/00/933241100.db2.gz HHSWSZSSXKXELO-UHFFFAOYSA-N 1 1 408.458 4.335 20 5 HIBDMO COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000535584867 933255807 /nfs/dbraw/zinc/25/58/07/933255807.db2.gz UTDSLBJXCCQLFF-KRWDZBQOSA-N 1 1 407.470 4.125 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535668488 933313577 /nfs/dbraw/zinc/31/35/77/933313577.db2.gz MEEYNUDIDYANCU-UHFFFAOYSA-N 1 1 419.481 4.469 20 5 HIBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682025 933334614 /nfs/dbraw/zinc/33/46/14/933334614.db2.gz UPUVLKLUDCSWSP-IFXJQAMLSA-N 1 1 405.857 4.119 20 5 HIBDMO CCOc1cc(C[N@H+]2CC[C@@H](C(C)C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535799329 933395299 /nfs/dbraw/zinc/39/52/99/933395299.db2.gz LAEWTUVXSMBDFH-LJQANCHMSA-N 1 1 416.522 4.055 20 5 HIBDMO COc1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799059 933395555 /nfs/dbraw/zinc/39/55/55/933395555.db2.gz AKTCJCPOCCBKPP-AZUAARDMSA-N 1 1 412.486 4.183 20 5 HIBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1c(C)noc1C ZINC000535997569 933557260 /nfs/dbraw/zinc/55/72/60/933557260.db2.gz AWTRBAPVJYWZQW-IINYFYTJSA-N 1 1 414.384 4.286 20 5 HIBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000537660867 938348982 /nfs/dbraw/zinc/34/89/82/938348982.db2.gz JYJRSEZZYIDPDD-IBGZPJMESA-N 1 1 400.475 4.041 20 5 HIBDMO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538187951 938543694 /nfs/dbraw/zinc/54/36/94/938543694.db2.gz KCZDTSGKMQOIMB-HUUCEWRRSA-N 1 1 404.430 4.242 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+]C(C)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538206043 938554560 /nfs/dbraw/zinc/55/45/60/938554560.db2.gz BUUXBIVMNQDWLN-UHFFFAOYSA-N 1 1 405.454 4.095 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000538749866 938700981 /nfs/dbraw/zinc/70/09/81/938700981.db2.gz KNMONQLRTMEKLZ-WOJBJXKFSA-N 1 1 418.497 4.306 20 5 HIBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H]1CCC[C@H]1O ZINC000538811693 938718966 /nfs/dbraw/zinc/71/89/66/938718966.db2.gz BNMLMBHFUXYJOL-SJKOYZFVSA-N 1 1 409.280 4.210 20 5 HIBDMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539326605 938842033 /nfs/dbraw/zinc/84/20/33/938842033.db2.gz PZSKZAJPSHHAMK-QWHCGFSZSA-N 1 1 419.503 4.073 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000539338432 938844753 /nfs/dbraw/zinc/84/47/53/938844753.db2.gz QPQMFLBIBRDHFR-UHFFFAOYSA-N 1 1 413.543 4.274 20 5 HIBDMO C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000539728446 938914515 /nfs/dbraw/zinc/91/45/15/938914515.db2.gz WBGSOINZRWSMBF-GFCCVEGCSA-N 1 1 407.264 4.369 20 5 HIBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000539827088 938947892 /nfs/dbraw/zinc/94/78/92/938947892.db2.gz YFEZEHXVTWALOM-HXUWFJFHSA-N 1 1 414.502 4.431 20 5 HIBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000539840149 938954248 /nfs/dbraw/zinc/95/42/48/938954248.db2.gz GTZYEUURWMRGGJ-KRWDZBQOSA-N 1 1 401.532 4.224 20 5 HIBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924222 938978081 /nfs/dbraw/zinc/97/80/81/938978081.db2.gz WLPGDNZDVYYHLT-VQIMIIECSA-N 1 1 413.449 4.017 20 5 HIBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000540117817 939079171 /nfs/dbraw/zinc/07/91/71/939079171.db2.gz NMSBVCXPSNJFEP-OAHLLOKOSA-N 1 1 424.238 4.203 20 5 HIBDMO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540159656 939095356 /nfs/dbraw/zinc/09/53/56/939095356.db2.gz BXCKUPWHEGLPDT-RYGJVYDSSA-N 1 1 415.559 4.352 20 5 HIBDMO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540159656 939095366 /nfs/dbraw/zinc/09/53/66/939095366.db2.gz BXCKUPWHEGLPDT-RYGJVYDSSA-N 1 1 415.559 4.352 20 5 HIBDMO Cc1c([C@@H](C)[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)cccc1[N+](=O)[O-] ZINC000540166650 939098715 /nfs/dbraw/zinc/09/87/15/939098715.db2.gz MEAXNODMRVYLOB-SNVBAGLBSA-N 1 1 413.787 4.469 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)cc1OC ZINC000541057541 939444260 /nfs/dbraw/zinc/44/42/60/939444260.db2.gz OUWYSTIWSXQXRM-ZBFHGGJFSA-N 1 1 418.494 4.099 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)cc1OC ZINC000541057541 939444261 /nfs/dbraw/zinc/44/42/61/939444261.db2.gz OUWYSTIWSXQXRM-ZBFHGGJFSA-N 1 1 418.494 4.099 20 5 HIBDMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000541070635 939450014 /nfs/dbraw/zinc/45/00/14/939450014.db2.gz SNEOUOPFAJHECG-UHFFFAOYSA-N 1 1 409.273 4.147 20 5 HIBDMO CC(C)(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000541325253 939490922 /nfs/dbraw/zinc/49/09/22/939490922.db2.gz FAFPSUUMSTVPDT-GOSISDBHSA-N 1 1 412.458 4.024 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@H+]1C ZINC000541584229 939560261 /nfs/dbraw/zinc/56/02/61/939560261.db2.gz ZWLREAZPRWPOMS-NVXWUHKLSA-N 1 1 405.564 4.432 20 5 HIBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541691730 939605812 /nfs/dbraw/zinc/60/58/12/939605812.db2.gz CQHBZGPGCRDGEH-OAHLLOKOSA-N 1 1 416.547 4.448 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541695725 939607329 /nfs/dbraw/zinc/60/73/29/939607329.db2.gz QFRIRMVRPONXDV-QGZVFWFLSA-N 1 1 405.564 4.337 20 5 HIBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC[C@@H]21 ZINC000541726242 939615127 /nfs/dbraw/zinc/61/51/27/939615127.db2.gz KHOKEPWPJPAJRC-PXNSSMCTSA-N 1 1 417.575 4.433 20 5 HIBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541785245 939629663 /nfs/dbraw/zinc/62/96/63/939629663.db2.gz JXHCQJWTRUUAFR-KPZWWZAWSA-N 1 1 424.835 4.341 20 5 HIBDMO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000542035499 939694581 /nfs/dbraw/zinc/69/45/81/939694581.db2.gz FUQOGVRBXDVKJV-LPHOPBHVSA-N 1 1 412.490 4.293 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000542499276 939833218 /nfs/dbraw/zinc/83/32/18/939833218.db2.gz OLCBVMNXBCIXGB-INIZCTEOSA-N 1 1 407.264 4.369 20 5 HIBDMO C[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542510349 939834811 /nfs/dbraw/zinc/83/48/11/939834811.db2.gz JMKHYVFGEMPHLV-OAGGEKHMSA-N 1 1 415.465 4.085 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542633914 939850654 /nfs/dbraw/zinc/85/06/54/939850654.db2.gz ULLXFAPYZDLZNO-NQIIRXRSSA-N 1 1 415.465 4.223 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000542704011 939855409 /nfs/dbraw/zinc/85/54/09/939855409.db2.gz LTMULEAGYNVRLS-JOCHJYFZSA-N 1 1 410.495 4.186 20 5 HIBDMO C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543537564 940098220 /nfs/dbraw/zinc/09/82/20/940098220.db2.gz AZGAEARMLFAUGM-DLBZAZTESA-N 1 1 413.493 4.386 20 5 HIBDMO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000543642581 940147180 /nfs/dbraw/zinc/14/71/80/940147180.db2.gz SIBVYYMVVRUZJO-DOTOQJQBSA-N 1 1 400.454 4.156 20 5 HIBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)Nc1cccc(F)c1 ZINC000543859255 940213118 /nfs/dbraw/zinc/21/31/18/940213118.db2.gz SAFHWADERFBYJD-CQSZACIVSA-N 1 1 420.872 4.421 20 5 HIBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)Nc1cccc(F)c1 ZINC000543859255 940213123 /nfs/dbraw/zinc/21/31/23/940213123.db2.gz SAFHWADERFBYJD-CQSZACIVSA-N 1 1 420.872 4.421 20 5 HIBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000544621764 940492493 /nfs/dbraw/zinc/49/24/93/940492493.db2.gz KCHITRZOPUIORJ-CRAIPNDOSA-N 1 1 400.454 4.423 20 5 HIBDMO Cc1cc(Cc2noc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)ccc1[N+](=O)[O-] ZINC000545146218 940550726 /nfs/dbraw/zinc/55/07/26/940550726.db2.gz XTWQNTWLMDSHLW-GOSISDBHSA-N 1 1 410.449 4.396 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000545828722 940618741 /nfs/dbraw/zinc/61/87/41/940618741.db2.gz CQOGNZKXYABNIX-IFXJQAMLSA-N 1 1 419.522 4.272 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000548974112 941136933 /nfs/dbraw/zinc/13/69/33/941136933.db2.gz OJYKFVKEVJWZIF-XMMPIXPASA-N 1 1 423.513 4.122 20 5 HIBDMO CCc1nc2cc(C[NH2+]Cc3cc(OC)c(OC)cc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000548978512 941137731 /nfs/dbraw/zinc/13/77/31/941137731.db2.gz AMTZTYRGGRQNPU-UHFFFAOYSA-N 1 1 410.474 4.149 20 5 HIBDMO C[NH+](C)C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 ZINC000549230278 941172591 /nfs/dbraw/zinc/17/25/91/941172591.db2.gz NYQPXHVQVQXYAR-JOCHJYFZSA-N 1 1 419.912 4.367 20 5 HIBDMO CC1(C)SC[C@@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000549555604 941199188 /nfs/dbraw/zinc/19/91/88/941199188.db2.gz FLIQSDGNVSZMHH-DLBZAZTESA-N 1 1 405.907 4.412 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000549814161 941208234 /nfs/dbraw/zinc/20/82/34/941208234.db2.gz XJGSZVRURDZOFR-CYBMUJFWSA-N 1 1 410.392 4.376 20 5 HIBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000550554694 941337987 /nfs/dbraw/zinc/33/79/87/941337987.db2.gz PPFOBVSHBXALAY-UHFFFAOYSA-N 1 1 406.486 4.060 20 5 HIBDMO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000550970523 941388517 /nfs/dbraw/zinc/38/85/17/941388517.db2.gz MPIUOFPRSVZEAP-UYAOXDASSA-N 1 1 409.530 4.384 20 5 HIBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000551211251 941428310 /nfs/dbraw/zinc/42/83/10/941428310.db2.gz GRCRFYXFASRUHY-WCQYABFASA-N 1 1 411.325 4.369 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000552040507 941572167 /nfs/dbraw/zinc/57/21/67/941572167.db2.gz UICCNAWACWQRDN-HXUWFJFHSA-N 1 1 419.510 4.374 20 5 HIBDMO Cc1c(CC(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cccc1[N+](=O)[O-] ZINC000553260157 941857710 /nfs/dbraw/zinc/85/77/10/941857710.db2.gz ACAZCDCGGCKEJU-UHFFFAOYSA-N 1 1 402.454 4.042 20 5 HIBDMO O=C(C[NH2+][C@@H](COCc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000553329265 941868426 /nfs/dbraw/zinc/86/84/26/941868426.db2.gz AFOKTYZKGDHEIQ-NRFANRHFSA-N 1 1 405.454 4.081 20 5 HIBDMO COc1cc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000554283126 942090305 /nfs/dbraw/zinc/09/03/05/942090305.db2.gz KJFNPDFLHPIQJZ-AWEZNQCLSA-N 1 1 416.808 4.072 20 5 HIBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000554843873 942282263 /nfs/dbraw/zinc/28/22/63/942282263.db2.gz PHGVRLGBNKUKPY-UHFFFAOYSA-N 1 1 415.799 4.380 20 5 HIBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000554843873 942282268 /nfs/dbraw/zinc/28/22/68/942282268.db2.gz PHGVRLGBNKUKPY-UHFFFAOYSA-N 1 1 415.799 4.380 20 5 HIBDMO COC(=O)c1cccc(-c2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000554846172 942284947 /nfs/dbraw/zinc/28/49/47/942284947.db2.gz MEXTUBIKHGUJGD-UHFFFAOYSA-N 1 1 411.483 4.179 20 5 HIBDMO COC(=O)c1cccc(-c2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000554846172 942284955 /nfs/dbraw/zinc/28/49/55/942284955.db2.gz MEXTUBIKHGUJGD-UHFFFAOYSA-N 1 1 411.483 4.179 20 5 HIBDMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000555152681 942407239 /nfs/dbraw/zinc/40/72/39/942407239.db2.gz OPRLDESFFNEETM-IEBWSBKVSA-N 1 1 411.502 4.194 20 5 HIBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555404163 942518221 /nfs/dbraw/zinc/51/82/21/942518221.db2.gz BRLYMNAOASCAND-UHFFFAOYSA-N 1 1 413.440 4.275 20 5 HIBDMO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556867884 942944849 /nfs/dbraw/zinc/94/48/49/942944849.db2.gz BLWKRLXHDOMTCE-VXKWHMMOSA-N 1 1 411.550 4.052 20 5 HIBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000556872507 942945491 /nfs/dbraw/zinc/94/54/91/942945491.db2.gz PAVXNPVJGVIXMF-KUHUBIRLSA-N 1 1 400.866 4.128 20 5 HIBDMO COc1ccc(C2(C[NH2+][C@@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000556889273 942952482 /nfs/dbraw/zinc/95/24/82/942952482.db2.gz BRYZHXAYBCVOFP-OAQYLSRUSA-N 1 1 406.486 4.138 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000557484604 943160437 /nfs/dbraw/zinc/16/04/37/943160437.db2.gz OBMYYHKMLZEQEO-UHFFFAOYSA-N 1 1 410.257 4.128 20 5 HIBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000557687516 943259307 /nfs/dbraw/zinc/25/93/07/943259307.db2.gz WNRZFVXBSKMIAR-ZDUSSCGKSA-N 1 1 405.808 4.019 20 5 HIBDMO CC(C)(NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000557967098 943342331 /nfs/dbraw/zinc/34/23/31/943342331.db2.gz JALNJYCUBXOQEK-KRWDZBQOSA-N 1 1 410.518 4.453 20 5 HIBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558027440 943360684 /nfs/dbraw/zinc/36/06/84/943360684.db2.gz XRKALXYKMQLZAI-SVMVAKDDSA-N 1 1 422.529 4.009 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412428 943552821 /nfs/dbraw/zinc/55/28/21/943552821.db2.gz ZHPKAAXOPXTYJI-SJLPKXTDSA-N 1 1 423.435 4.355 20 5 HIBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412428 943552825 /nfs/dbraw/zinc/55/28/25/943552825.db2.gz ZHPKAAXOPXTYJI-SJLPKXTDSA-N 1 1 423.435 4.355 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000558471257 943568457 /nfs/dbraw/zinc/56/84/57/943568457.db2.gz YQQUJLCRTOHTAG-NSHDSACASA-N 1 1 410.243 4.094 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558740244 943636782 /nfs/dbraw/zinc/63/67/82/943636782.db2.gz DMLAMJBQMPEKTC-REPLKXPHSA-N 1 1 407.470 4.303 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559824163 944061033 /nfs/dbraw/zinc/06/10/33/944061033.db2.gz HRNQFGRTRQMZSB-CABCVRRESA-N 1 1 413.440 4.340 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000559984720 944111262 /nfs/dbraw/zinc/11/12/62/944111262.db2.gz VRGSCIKEMJLYJK-HNAYVOBHSA-N 1 1 401.532 4.133 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000560548551 944250362 /nfs/dbraw/zinc/25/03/62/944250362.db2.gz IPBTWXAOZRLZSY-NRFANRHFSA-N 1 1 423.904 4.395 20 5 HIBDMO Cn1ccnc1[C@@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549896 944251248 /nfs/dbraw/zinc/25/12/48/944251248.db2.gz IOJXHSHDOMCYJH-LADGPHEKSA-N 1 1 419.529 4.062 20 5 HIBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000560567017 944256177 /nfs/dbraw/zinc/25/61/77/944256177.db2.gz PAHBZAJCBQRFJY-HXUWFJFHSA-N 1 1 416.449 4.296 20 5 HIBDMO C[N@H+](CCC(F)(F)F)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000561344882 944558052 /nfs/dbraw/zinc/55/80/52/944558052.db2.gz AXEPPZBLTGZNJY-CQSZACIVSA-N 1 1 403.792 4.076 20 5 HIBDMO C[N@@H+](CCC(F)(F)F)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000561344882 944558058 /nfs/dbraw/zinc/55/80/58/944558058.db2.gz AXEPPZBLTGZNJY-CQSZACIVSA-N 1 1 403.792 4.076 20 5 HIBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000565334392 945814466 /nfs/dbraw/zinc/81/44/66/945814466.db2.gz MAZOIJULIKUPPG-IRLDBZIGSA-N 1 1 424.501 4.265 20 5 HIBDMO COc1ccc(OCc2ccccn2)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000567428838 946336070 /nfs/dbraw/zinc/33/60/70/946336070.db2.gz TZNSPYSSLYISKT-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567541814 946367434 /nfs/dbraw/zinc/36/74/34/946367434.db2.gz QLXXVYVXHCQLPV-UTKZUKDTSA-N 1 1 424.501 4.102 20 5 HIBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567541814 946367445 /nfs/dbraw/zinc/36/74/45/946367445.db2.gz QLXXVYVXHCQLPV-UTKZUKDTSA-N 1 1 424.501 4.102 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000567762598 946403291 /nfs/dbraw/zinc/40/32/91/946403291.db2.gz SKQBCPDSCJHANQ-INIZCTEOSA-N 1 1 413.440 4.388 20 5 HIBDMO O=c1ccccn1C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000570532144 947276156 /nfs/dbraw/zinc/27/61/56/947276156.db2.gz UQRYOQQTGXCJEO-IBGZPJMESA-N 1 1 417.387 4.306 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)s1 ZINC000571715509 947758722 /nfs/dbraw/zinc/75/87/22/947758722.db2.gz NDOJWOYRIQNPQB-GOSISDBHSA-N 1 1 415.559 4.484 20 5 HIBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000573018458 948059678 /nfs/dbraw/zinc/05/96/78/948059678.db2.gz OZDIICSMEWMHHA-GUDVDZBRSA-N 1 1 404.413 4.201 20 5 HIBDMO CC(C)[N@@H+](C)CC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000573654018 948269687 /nfs/dbraw/zinc/26/96/87/948269687.db2.gz UWDBPBGKRZYNEY-UHFFFAOYSA-N 1 1 410.387 4.201 20 5 HIBDMO C[N@@H+](Cc1ccccc1NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000573751814 948288926 /nfs/dbraw/zinc/28/89/26/948288926.db2.gz JBSPGUUDFYFZKJ-NRFANRHFSA-N 1 1 413.518 4.211 20 5 HIBDMO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574438213 948442823 /nfs/dbraw/zinc/44/28/23/948442823.db2.gz GPMCJXCPMFGEBE-GDBMZVCRSA-N 1 1 421.419 4.254 20 5 HIBDMO COc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OCc1ccccc1 ZINC000574835951 948539660 /nfs/dbraw/zinc/53/96/60/948539660.db2.gz UUBXGXXFJHEHLF-UHFFFAOYSA-N 1 1 418.453 4.349 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])cc2Cl)CC3)cs1 ZINC001164693456 719804190 /nfs/dbraw/zinc/80/41/90/719804190.db2.gz SZNPICGURHBLGE-UHFFFAOYSA-N 1 1 407.927 4.043 20 5 HIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC3)cs1 ZINC001164692407 719804210 /nfs/dbraw/zinc/80/42/10/719804210.db2.gz NXXLBSGWTLGHDL-UHFFFAOYSA-N 1 1 407.927 4.043 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165023983 721807989 /nfs/dbraw/zinc/80/79/89/721807989.db2.gz KOJWWZAXXIRCPL-SZMVWBNQSA-N 1 1 415.925 4.084 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001165026949 721808262 /nfs/dbraw/zinc/80/82/62/721808262.db2.gz SWRJNTPGYWTZCZ-JMUQELJHSA-N 1 1 417.513 4.275 20 5 HIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC001165028283 721810709 /nfs/dbraw/zinc/81/07/09/721810709.db2.gz XDQJSHKZBIZYNJ-PIPMEXSNSA-N 1 1 417.513 4.275 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436110804 861395760 /nfs/dbraw/zinc/39/57/60/861395760.db2.gz NPDZIMCNPBRAQB-MRXNPFEDSA-N 1 1 409.505 4.205 20 5 HIBDMO COc1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000015358612 846039763 /nfs/dbraw/zinc/03/97/63/846039763.db2.gz YNQCYJYNPHWSDJ-FQEVSTJZSA-N 1 1 415.446 4.122 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436417619 861772070 /nfs/dbraw/zinc/77/20/70/861772070.db2.gz ZZGARWMMIBOZMM-CQSZACIVSA-N 1 1 400.445 4.490 20 5 HIBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000027344162 847285595 /nfs/dbraw/zinc/28/55/95/847285595.db2.gz XLEGTESNFHTHAN-SFHVURJKSA-N 1 1 408.285 4.469 20 5 HIBDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027557151 847320036 /nfs/dbraw/zinc/32/00/36/847320036.db2.gz YTCBHYKUBRNEIB-NSHDSACASA-N 1 1 410.243 4.128 20 5 HIBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027557151 847320041 /nfs/dbraw/zinc/32/00/41/847320041.db2.gz YTCBHYKUBRNEIB-NSHDSACASA-N 1 1 410.243 4.128 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000029828854 847626952 /nfs/dbraw/zinc/62/69/52/847626952.db2.gz JNONZBZILQYWIR-MRXNPFEDSA-N 1 1 408.458 4.253 20 5 HIBDMO COc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])cc1OC ZINC000046156264 848792145 /nfs/dbraw/zinc/79/21/45/848792145.db2.gz ZNRIJLLLBAAPOG-OAHLLOKOSA-N 1 1 413.474 4.096 20 5 HIBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050628101 849399764 /nfs/dbraw/zinc/39/97/64/849399764.db2.gz ZHQGKNQMXFZFND-UHFFFAOYSA-N 1 1 402.520 4.055 20 5 HIBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050628103 849400006 /nfs/dbraw/zinc/40/00/06/849400006.db2.gz FWKPBKLGSZLWKF-UHFFFAOYSA-N 1 1 402.520 4.055 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000051133724 849435819 /nfs/dbraw/zinc/43/58/19/849435819.db2.gz ZSAVHBUYKDXVKJ-AUSIDOKSSA-N 1 1 411.502 4.332 20 5 HIBDMO COc1ccc(C[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1[N+](=O)[O-] ZINC000051264785 849448840 /nfs/dbraw/zinc/44/88/40/849448840.db2.gz CYCZQXCHBVYADD-UHFFFAOYSA-N 1 1 408.401 4.378 20 5 HIBDMO COc1ccc(C[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1[N+](=O)[O-] ZINC000051264785 849448847 /nfs/dbraw/zinc/44/88/47/849448847.db2.gz CYCZQXCHBVYADD-UHFFFAOYSA-N 1 1 408.401 4.378 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000058262414 850789475 /nfs/dbraw/zinc/78/94/75/850789475.db2.gz CINCANUJBPUVMU-MRXNPFEDSA-N 1 1 406.486 4.381 20 5 HIBDMO CCOc1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000060425978 851095713 /nfs/dbraw/zinc/09/57/13/851095713.db2.gz HSEXKGHQQYBYTD-QGZVFWFLSA-N 1 1 411.502 4.298 20 5 HIBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000063758568 851755870 /nfs/dbraw/zinc/75/58/70/851755870.db2.gz BMEWXBQLLTWBSB-LJQANCHMSA-N 1 1 424.545 4.449 20 5 HIBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000065102264 852063755 /nfs/dbraw/zinc/06/37/55/852063755.db2.gz QORQQGPAMXADJT-IYBDPMFKSA-N 1 1 416.547 4.206 20 5 HIBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000065202170 852085641 /nfs/dbraw/zinc/08/56/41/852085641.db2.gz YNESAOLHUVUMPN-IBGZPJMESA-N 1 1 410.518 4.057 20 5 HIBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000072009923 852464642 /nfs/dbraw/zinc/46/46/42/852464642.db2.gz HQDKRWWKXXXIQX-LJQANCHMSA-N 1 1 424.545 4.335 20 5 HIBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032467 852474809 /nfs/dbraw/zinc/47/48/09/852474809.db2.gz IOIXGUQQEGATMY-BEFAXECRSA-N 1 1 400.866 4.396 20 5 HIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000107553964 852775755 /nfs/dbraw/zinc/77/57/55/852775755.db2.gz MQRJYVQJMOCAGQ-SFHVURJKSA-N 1 1 410.518 4.088 20 5 HIBDMO C[NH+](C)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 ZINC000237039311 853955631 /nfs/dbraw/zinc/95/56/31/853955631.db2.gz KQBSWQUCZMMUKG-LJQANCHMSA-N 1 1 400.479 4.250 20 5 HIBDMO C[NH+](C)C1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000237085717 853962216 /nfs/dbraw/zinc/96/22/16/853962216.db2.gz FWEMRVFMSODXFP-UHFFFAOYSA-N 1 1 419.909 4.241 20 5 HIBDMO COc1cc(C[NH2+]Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237112442 853966469 /nfs/dbraw/zinc/96/64/69/853966469.db2.gz HDZVZARALSYARD-UHFFFAOYSA-N 1 1 404.772 4.488 20 5 HIBDMO COCC[NH+]1CCC(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000237124908 853967885 /nfs/dbraw/zinc/96/78/85/853967885.db2.gz NVVOCCXAYRJOQV-UHFFFAOYSA-N 1 1 419.909 4.241 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000237199448 853981322 /nfs/dbraw/zinc/98/13/22/853981322.db2.gz YFJKYQAFWPHNDA-UHFFFAOYSA-N 1 1 414.893 4.408 20 5 HIBDMO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cnn(C)c1 ZINC000237569974 854056043 /nfs/dbraw/zinc/05/60/43/854056043.db2.gz YEDRGDLQMGKJNX-NSHDSACASA-N 1 1 405.252 4.202 20 5 HIBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Nc1ccc(F)cc1 ZINC000237845812 854107337 /nfs/dbraw/zinc/10/73/37/854107337.db2.gz ODIXKDAYPQCGFO-UHFFFAOYSA-N 1 1 403.797 4.376 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000238012146 854133716 /nfs/dbraw/zinc/13/37/16/854133716.db2.gz MOTLWDPFSUDSQP-GOTSBHOMSA-N 1 1 417.513 4.164 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000238012146 854133724 /nfs/dbraw/zinc/13/37/24/854133724.db2.gz MOTLWDPFSUDSQP-GOTSBHOMSA-N 1 1 417.513 4.164 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000301057989 854282532 /nfs/dbraw/zinc/28/25/32/854282532.db2.gz CMIGDGHSPCUJQT-UHFFFAOYSA-N 1 1 422.323 4.023 20 5 HIBDMO Cc1nn(C)c(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000301294381 854350824 /nfs/dbraw/zinc/35/08/24/854350824.db2.gz QVEAQZGRULPKGA-RHSMWYFYSA-N 1 1 411.428 4.151 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301412953 854387492 /nfs/dbraw/zinc/38/74/92/854387492.db2.gz KWJNDHWBEVIMFB-MGPUTAFESA-N 1 1 414.531 4.044 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1 ZINC000301737768 854455057 /nfs/dbraw/zinc/45/50/57/854455057.db2.gz IQEUFBWUMOUAAW-AWEZNQCLSA-N 1 1 405.458 4.154 20 5 HIBDMO O=C(c1ccccc1)c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301753789 854459889 /nfs/dbraw/zinc/45/98/89/854459889.db2.gz CAPZKXNJWAARRK-TZIWHRDSSA-N 1 1 405.498 4.279 20 5 HIBDMO CCc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301763385 854461180 /nfs/dbraw/zinc/46/11/80/854461180.db2.gz GNRJSVPWNVTYSC-UTKZUKDTSA-N 1 1 407.518 4.067 20 5 HIBDMO CCc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301763387 854461673 /nfs/dbraw/zinc/46/16/73/854461673.db2.gz GNRJSVPWNVTYSC-UWJYYQICSA-N 1 1 407.518 4.067 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301936094 854497523 /nfs/dbraw/zinc/49/75/23/854497523.db2.gz PUMGMASZINKYNQ-CQSZACIVSA-N 1 1 423.560 4.046 20 5 HIBDMO C[NH+]1CCN(CCC(C)(C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000302245393 854556062 /nfs/dbraw/zinc/55/60/62/854556062.db2.gz KLRPIDUYPQYWPF-UHFFFAOYSA-N 1 1 408.852 4.095 20 5 HIBDMO C[C@]1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCC[N@H+]1Cc1ccccc1 ZINC000302389615 854567248 /nfs/dbraw/zinc/56/72/48/854567248.db2.gz HZSBVAKNOJVXII-JOCHJYFZSA-N 1 1 410.474 4.018 20 5 HIBDMO COc1cc(C[NH+]2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000302914522 854677065 /nfs/dbraw/zinc/67/70/65/854677065.db2.gz WGLMZFRVOVTEQB-UHFFFAOYSA-N 1 1 422.428 4.386 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000428919162 857414816 /nfs/dbraw/zinc/41/48/16/857414816.db2.gz DSNKZUNKYVJFBB-WFXMLNOXSA-N 1 1 410.518 4.317 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250959 857574653 /nfs/dbraw/zinc/57/46/53/857574653.db2.gz AJLBRLVSRMZBTG-NZQKXSOJSA-N 1 1 423.513 4.332 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250959 857574660 /nfs/dbraw/zinc/57/46/60/857574660.db2.gz AJLBRLVSRMZBTG-NZQKXSOJSA-N 1 1 423.513 4.332 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250962 857575571 /nfs/dbraw/zinc/57/55/71/857575571.db2.gz AJLBRLVSRMZBTG-OFNKIYASSA-N 1 1 423.513 4.332 20 5 HIBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250962 857575578 /nfs/dbraw/zinc/57/55/78/857575578.db2.gz AJLBRLVSRMZBTG-OFNKIYASSA-N 1 1 423.513 4.332 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000430211361 858083547 /nfs/dbraw/zinc/08/35/47/858083547.db2.gz IOSYAJLICWJSBK-GFCCVEGCSA-N 1 1 401.410 4.458 20 5 HIBDMO COc1ccc(C[N@H+](CCc2ccccn2)Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430236765 858092332 /nfs/dbraw/zinc/09/23/32/858092332.db2.gz IAMUZTYISCPLFX-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430236765 858092344 /nfs/dbraw/zinc/09/23/44/858092344.db2.gz IAMUZTYISCPLFX-UHFFFAOYSA-N 1 1 407.470 4.252 20 5 HIBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000430864287 858342948 /nfs/dbraw/zinc/34/29/48/858342948.db2.gz JYDFNOPJSXXPRE-JXFKEZNVSA-N 1 1 411.527 4.302 20 5 HIBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000431000876 858399957 /nfs/dbraw/zinc/39/99/57/858399957.db2.gz SFYFDXAUVWOKCM-HNNXBMFYSA-N 1 1 401.488 4.031 20 5 HIBDMO CC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000431692906 858743378 /nfs/dbraw/zinc/74/33/78/858743378.db2.gz QUYIMEANFUOTLL-XJABCFGWSA-N 1 1 410.518 4.398 20 5 HIBDMO C[NH+](C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000431866009 858845801 /nfs/dbraw/zinc/84/58/01/858845801.db2.gz DIMABBVGFQZSBG-GOSISDBHSA-N 1 1 404.898 4.085 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000432029159 858938204 /nfs/dbraw/zinc/93/82/04/858938204.db2.gz BCFPAAANSFHKAS-INIZCTEOSA-N 1 1 419.485 4.180 20 5 HIBDMO COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000433022227 859483075 /nfs/dbraw/zinc/48/30/75/859483075.db2.gz UHCRJYPKMPUVDX-UHFFFAOYSA-N 1 1 412.421 4.172 20 5 HIBDMO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435271610 860711701 /nfs/dbraw/zinc/71/17/01/860711701.db2.gz XXXCTKSRCLDGNW-FQEVSTJZSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435293570 860723422 /nfs/dbraw/zinc/72/34/22/860723422.db2.gz AFVUDUTXHIIQRE-HXUWFJFHSA-N 1 1 419.485 4.107 20 5 HIBDMO Cc1c(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435330166 860741438 /nfs/dbraw/zinc/74/14/38/860741438.db2.gz RYRNDGRQAIVGKW-CQSZACIVSA-N 1 1 413.316 4.004 20 5 HIBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435770920 861045497 /nfs/dbraw/zinc/04/54/97/861045497.db2.gz IRSKZCWZHFVWBI-OAHLLOKOSA-N 1 1 420.498 4.492 20 5 HIBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435770920 861045512 /nfs/dbraw/zinc/04/55/12/861045512.db2.gz IRSKZCWZHFVWBI-OAHLLOKOSA-N 1 1 420.498 4.492 20 5 HIBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435770919 861046194 /nfs/dbraw/zinc/04/61/94/861046194.db2.gz IRSKZCWZHFVWBI-HNNXBMFYSA-N 1 1 420.498 4.492 20 5 HIBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435770919 861046211 /nfs/dbraw/zinc/04/62/11/861046211.db2.gz IRSKZCWZHFVWBI-HNNXBMFYSA-N 1 1 420.498 4.492 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC000438353438 863820604 /nfs/dbraw/zinc/82/06/04/863820604.db2.gz BLFQPQCHGCFYNH-UHFFFAOYSA-N 1 1 406.442 4.073 20 5 HIBDMO COc1ccc(C[N@H+](C)[C@@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438482351 863898480 /nfs/dbraw/zinc/89/84/80/863898480.db2.gz YAZRQXBRUWYWKX-OAHLLOKOSA-N 1 1 407.264 4.322 20 5 HIBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438482351 863898482 /nfs/dbraw/zinc/89/84/82/863898482.db2.gz YAZRQXBRUWYWKX-OAHLLOKOSA-N 1 1 407.264 4.322 20 5 HIBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000438547839 863975459 /nfs/dbraw/zinc/97/54/59/863975459.db2.gz UBYSSYQAXMOTMV-GOSISDBHSA-N 1 1 406.866 4.278 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439884214 865196146 /nfs/dbraw/zinc/19/61/46/865196146.db2.gz SPHZVSHHAYBSAX-SJLPKXTDSA-N 1 1 412.490 4.026 20 5 HIBDMO Cn1cc(Br)cc1C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000468085102 881893741 /nfs/dbraw/zinc/89/37/41/881893741.db2.gz GIAPQEMFUVRDSK-UHFFFAOYSA-N 1 1 419.279 4.025 20 5 HIBDMO O=C(c1cccc([N+](=O)[O-])c1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440426630 865725617 /nfs/dbraw/zinc/72/56/17/865725617.db2.gz QEIYHWCGEOXEKH-QGZVFWFLSA-N 1 1 421.419 4.121 20 5 HIBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000440539293 865810010 /nfs/dbraw/zinc/81/00/10/865810010.db2.gz UFPRNFUNOFMNJH-IBGZPJMESA-N 1 1 422.529 4.153 20 5 HIBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000441100721 866195968 /nfs/dbraw/zinc/19/59/68/866195968.db2.gz ZQFGBROJPQATGL-GFCCVEGCSA-N 1 1 401.410 4.329 20 5 HIBDMO CC1CCC([N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]2CCCO2)CC1 ZINC000441463335 866538994 /nfs/dbraw/zinc/53/89/94/866538994.db2.gz KEWATCRPCPNTTG-GXOAENINSA-N 1 1 400.479 4.205 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000468208451 882089391 /nfs/dbraw/zinc/08/93/91/882089391.db2.gz HTORYDPUXDYVNT-CYBMUJFWSA-N 1 1 413.865 4.303 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638534 868220918 /nfs/dbraw/zinc/22/09/18/868220918.db2.gz IWIWTNZDTVCXNO-AWEZNQCLSA-N 1 1 412.421 4.002 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638534 868220946 /nfs/dbraw/zinc/22/09/46/868220946.db2.gz IWIWTNZDTVCXNO-AWEZNQCLSA-N 1 1 412.421 4.002 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 ZINC000443644610 868230765 /nfs/dbraw/zinc/23/07/65/868230765.db2.gz FYDLXOVGQFEXAW-AWEZNQCLSA-N 1 1 423.404 4.305 20 5 HIBDMO C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000444301614 868733099 /nfs/dbraw/zinc/73/30/99/868733099.db2.gz FZIDNVWEPYITGA-JKSUJKDBSA-N 1 1 421.516 4.203 20 5 HIBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000444600277 868897756 /nfs/dbraw/zinc/89/77/56/868897756.db2.gz SZHXRZAPFGQXPT-OAHLLOKOSA-N 1 1 407.474 4.384 20 5 HIBDMO Cn1nc(CCC[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1-c1ccc(F)cc1 ZINC000444607393 868901563 /nfs/dbraw/zinc/90/15/63/868901563.db2.gz ITZFLYKLGRICST-UHFFFAOYSA-N 1 1 422.464 4.075 20 5 HIBDMO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000444661052 868939987 /nfs/dbraw/zinc/93/99/87/868939987.db2.gz HDOWYZFWASVODY-STQMWFEESA-N 1 1 417.416 4.326 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1C ZINC000444702368 868964276 /nfs/dbraw/zinc/96/42/76/868964276.db2.gz XRVHZXBYBLXDSU-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc(Br)cc1C ZINC000444702368 868964284 /nfs/dbraw/zinc/96/42/84/868964284.db2.gz XRVHZXBYBLXDSU-UHFFFAOYSA-N 1 1 406.280 4.045 20 5 HIBDMO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)oc21 ZINC000444762644 868991262 /nfs/dbraw/zinc/99/12/62/868991262.db2.gz AUCKWEDZKCMQNI-OAHLLOKOSA-N 1 1 408.458 4.251 20 5 HIBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000444803072 869018030 /nfs/dbraw/zinc/01/80/30/869018030.db2.gz NCVADBZIVTYYBG-IAGOWNOFSA-N 1 1 416.522 4.141 20 5 HIBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000444929431 869111851 /nfs/dbraw/zinc/11/18/51/869111851.db2.gz YDGYZYOUQVOVBK-APWZRJJASA-N 1 1 412.490 4.293 20 5 HIBDMO CSc1cc(Br)ccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833488 870749584 /nfs/dbraw/zinc/74/95/84/870749584.db2.gz SODQUYUWHFXVCP-UHFFFAOYSA-N 1 1 407.293 4.245 20 5 HIBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(Cl)cc1I ZINC000446844824 870763055 /nfs/dbraw/zinc/76/30/55/870763055.db2.gz JJHYJSBTDDSUIO-UHFFFAOYSA-N 1 1 416.646 4.451 20 5 HIBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447674017 871605076 /nfs/dbraw/zinc/60/50/76/871605076.db2.gz YIOUMKKKOVTHFM-FRRDWIJNSA-N 1 1 422.398 4.486 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460345159 872963242 /nfs/dbraw/zinc/96/32/42/872963242.db2.gz FQXDCJXZGABLGB-CYGODWOOSA-N 1 1 420.513 4.496 20 5 HIBDMO Cc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000462164405 875259923 /nfs/dbraw/zinc/25/99/23/875259923.db2.gz MPTLIXQNRHWMPA-HSZRJFAPSA-N 1 1 424.522 4.494 20 5 HIBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551154 875675941 /nfs/dbraw/zinc/67/59/41/875675941.db2.gz MKLDRZZLRSQUFK-HRAATJIYSA-N 1 1 408.527 4.328 20 5 HIBDMO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551154 875675947 /nfs/dbraw/zinc/67/59/47/875675947.db2.gz MKLDRZZLRSQUFK-HRAATJIYSA-N 1 1 408.527 4.328 20 5 HIBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462921281 875950349 /nfs/dbraw/zinc/95/03/49/875950349.db2.gz DZWVTOSIXBAVAT-RTBURBONSA-N 1 1 415.559 4.253 20 5 HIBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000463117464 876158460 /nfs/dbraw/zinc/15/84/60/876158460.db2.gz SNTXCBKPDSBOIN-UHFFFAOYSA-N 1 1 407.474 4.038 20 5 HIBDMO C[N@H+](CCc1cccc(Br)c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000463416152 876470425 /nfs/dbraw/zinc/47/04/25/876470425.db2.gz SXWDGNZPZOUVCY-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO C[N@@H+](CCc1cccc(Br)c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000463416152 876470434 /nfs/dbraw/zinc/47/04/34/876470434.db2.gz SXWDGNZPZOUVCY-UHFFFAOYSA-N 1 1 417.263 4.082 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000464833963 878093701 /nfs/dbraw/zinc/09/37/01/878093701.db2.gz OSGQSIUOLUYONV-KSSFIOAISA-N 1 1 401.463 4.307 20 5 HIBDMO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000464854601 878133711 /nfs/dbraw/zinc/13/37/11/878133711.db2.gz VTRGASHOKXOHMT-ZDUSSCGKSA-N 1 1 408.549 4.120 20 5 HIBDMO CCSCC[C@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000464854601 878133728 /nfs/dbraw/zinc/13/37/28/878133728.db2.gz VTRGASHOKXOHMT-ZDUSSCGKSA-N 1 1 408.549 4.120 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000465189188 878584416 /nfs/dbraw/zinc/58/44/16/878584416.db2.gz WSLWRPYSCLEZGH-INIZCTEOSA-N 1 1 415.515 4.046 20 5 HIBDMO Cc1cc(Br)cn2c(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)cnc12 ZINC000466458160 880238597 /nfs/dbraw/zinc/23/85/97/880238597.db2.gz UWIQIOXIJVOBHB-UHFFFAOYSA-N 1 1 409.671 4.257 20 5 HIBDMO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000467223707 880953168 /nfs/dbraw/zinc/95/31/68/880953168.db2.gz GLQLNGWJSRXZPP-QZTJIDSGSA-N 1 1 423.300 4.146 20 5 HIBDMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000467223707 880953179 /nfs/dbraw/zinc/95/31/79/880953179.db2.gz GLQLNGWJSRXZPP-QZTJIDSGSA-N 1 1 423.300 4.146 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469459956 883670391 /nfs/dbraw/zinc/67/03/91/883670391.db2.gz ZXIVGTSCKBRIPM-OCCSQVGLSA-N 1 1 400.385 4.474 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469459956 883670413 /nfs/dbraw/zinc/67/04/13/883670413.db2.gz ZXIVGTSCKBRIPM-OCCSQVGLSA-N 1 1 400.385 4.474 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000470993605 885494225 /nfs/dbraw/zinc/49/42/25/885494225.db2.gz OPZHEYAAIVVWSS-DEOSSOPVSA-N 1 1 423.513 4.122 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000471058331 885573209 /nfs/dbraw/zinc/57/32/09/885573209.db2.gz YYGZPASKCZAZDX-MJGOQNOKSA-N 1 1 411.502 4.024 20 5 HIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000471058329 885573923 /nfs/dbraw/zinc/57/39/23/885573923.db2.gz YYGZPASKCZAZDX-HKUYNNGSSA-N 1 1 411.502 4.024 20 5 HIBDMO CCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000471668539 886380439 /nfs/dbraw/zinc/38/04/39/886380439.db2.gz KWEMQBZVESSCAR-UHFFFAOYSA-N 1 1 401.894 4.159 20 5 HIBDMO CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000471668539 886380461 /nfs/dbraw/zinc/38/04/61/886380461.db2.gz KWEMQBZVESSCAR-UHFFFAOYSA-N 1 1 401.894 4.159 20 5 HIBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503258 888230420 /nfs/dbraw/zinc/23/04/20/888230420.db2.gz MMSBTVUKNDZHGU-DEOSSOPVSA-N 1 1 418.497 4.204 20 5 HIBDMO C[C@H](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000474152375 888983263 /nfs/dbraw/zinc/98/32/63/888983263.db2.gz RCAFTVDCVQYOSA-GOSISDBHSA-N 1 1 410.518 4.153 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000475556160 890481731 /nfs/dbraw/zinc/48/17/31/890481731.db2.gz OUHKGFFQDVSNMP-UHFFFAOYSA-N 1 1 400.454 4.091 20 5 HIBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000475556160 890481736 /nfs/dbraw/zinc/48/17/36/890481736.db2.gz OUHKGFFQDVSNMP-UHFFFAOYSA-N 1 1 400.454 4.091 20 5 HIBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706054 890643443 /nfs/dbraw/zinc/64/34/43/890643443.db2.gz NFAYBENZDUVMEO-WMLDXEAASA-N 1 1 402.447 4.021 20 5 HIBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706054 890643460 /nfs/dbraw/zinc/64/34/60/890643460.db2.gz NFAYBENZDUVMEO-WMLDXEAASA-N 1 1 402.447 4.021 20 5 HIBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000476770410 891743931 /nfs/dbraw/zinc/74/39/31/891743931.db2.gz SQXYHFJZEXCODZ-UHFFFAOYSA-N 1 1 406.442 4.369 20 5 HIBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000477375351 892336107 /nfs/dbraw/zinc/33/61/07/892336107.db2.gz RZOXMJJTHUADEI-CRAIPNDOSA-N 1 1 401.894 4.340 20 5 HIBDMO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000477693891 892813313 /nfs/dbraw/zinc/81/33/13/892813313.db2.gz OGWBSFPTBVTUST-TZIWHRDSSA-N 1 1 423.513 4.039 20 5 HIBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000478036924 893167388 /nfs/dbraw/zinc/16/73/88/893167388.db2.gz WRSZWOUSFHLDPI-QGZVFWFLSA-N 1 1 402.520 4.260 20 5 HIBDMO Cc1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1NC(=O)C[NH+]1CCCCC1 ZINC000478304096 893523412 /nfs/dbraw/zinc/52/34/12/893523412.db2.gz OWSAARJOFATTEL-UHFFFAOYSA-N 1 1 400.454 4.079 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000479027809 894291847 /nfs/dbraw/zinc/29/18/47/894291847.db2.gz ZXQZHHWPXFSSAT-KRWDZBQOSA-N 1 1 403.504 4.257 20 5 HIBDMO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000479372717 894673422 /nfs/dbraw/zinc/67/34/22/894673422.db2.gz FNVVYKADZVENTI-UHFFFAOYSA-N 1 1 411.428 4.215 20 5 HIBDMO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc([N+](=O)[O-])c1C ZINC000479861162 895196640 /nfs/dbraw/zinc/19/66/40/895196640.db2.gz HQYWFHXYQMKBEX-DEOSSOPVSA-N 1 1 423.513 4.040 20 5 HIBDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481175114 896509661 /nfs/dbraw/zinc/50/96/61/896509661.db2.gz LWLICZOTMVNXMR-AVRDEDQJSA-N 1 1 420.513 4.293 20 5 HIBDMO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000481911953 897294194 /nfs/dbraw/zinc/29/41/94/897294194.db2.gz UJGXMNUSFKOYFK-INIZCTEOSA-N 1 1 403.548 4.475 20 5 HIBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141622 897600520 /nfs/dbraw/zinc/60/05/20/897600520.db2.gz KCJBIMWJBYIEDD-DYESRHJHSA-N 1 1 423.517 4.452 20 5 HIBDMO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141622 897600524 /nfs/dbraw/zinc/60/05/24/897600524.db2.gz KCJBIMWJBYIEDD-DYESRHJHSA-N 1 1 423.517 4.452 20 5 HIBDMO Cn1cc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482408679 897951158 /nfs/dbraw/zinc/95/11/58/897951158.db2.gz VVWNQRLPZFSCOQ-QHCPKHFHSA-N 1 1 404.470 4.017 20 5 HIBDMO CCOc1cc(C[N@H+]2CCC(C)=C(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482433601 897990777 /nfs/dbraw/zinc/99/07/77/897990777.db2.gz DVJRFSPIHABPTQ-UHFFFAOYSA-N 1 1 414.506 4.120 20 5 HIBDMO COc1ccc(-c2ccc(C[N@H+]3CC(C)(C)O[C@@]4(CCCOC4)C3)o2)c([N+](=O)[O-])c1 ZINC000482447350 898012229 /nfs/dbraw/zinc/01/22/29/898012229.db2.gz DXSCPIXRQGDPPT-QFIPXVFZSA-N 1 1 416.474 4.023 20 5 HIBDMO COc1cc(C[NH2+][C@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505605367 914310912 /nfs/dbraw/zinc/31/09/12/914310912.db2.gz FIUJAVBUISEAEX-IBGZPJMESA-N 1 1 409.433 4.438 20 5 HIBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483591021 899241577 /nfs/dbraw/zinc/24/15/77/899241577.db2.gz XQZZNHIBVQSQQQ-FDDCHVKYSA-N 1 1 418.497 4.203 20 5 HIBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)C1 ZINC000505658797 914357030 /nfs/dbraw/zinc/35/70/30/914357030.db2.gz OYGFHNKRVHCPSA-JOCHJYFZSA-N 1 1 411.527 4.304 20 5 HIBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)c1 ZINC000484310177 899870357 /nfs/dbraw/zinc/87/03/57/899870357.db2.gz XMGRCXSUYWYDRC-UHFFFAOYSA-N 1 1 418.453 4.053 20 5 HIBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484803563 900207665 /nfs/dbraw/zinc/20/76/65/900207665.db2.gz OLTJXIGPZYZGRV-UHFFFAOYSA-N 1 1 423.391 4.347 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000485004954 900355930 /nfs/dbraw/zinc/35/59/30/900355930.db2.gz LTTJLNDPLKLIQL-SFHVURJKSA-N 1 1 413.543 4.001 20 5 HIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000485705879 900955074 /nfs/dbraw/zinc/95/50/74/900955074.db2.gz QNQURMFOZNDKDE-OAHLLOKOSA-N 1 1 417.456 4.106 20 5 HIBDMO CSc1cccc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486416799 901575152 /nfs/dbraw/zinc/57/51/52/901575152.db2.gz NNKOZAIVJSINOZ-IGOJGBNBSA-N 1 1 413.543 4.203 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000486615750 901750164 /nfs/dbraw/zinc/75/01/64/901750164.db2.gz PXQBSTXDMNRBAI-OAHLLOKOSA-N 1 1 419.572 4.410 20 5 HIBDMO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487009140 902013461 /nfs/dbraw/zinc/01/34/61/902013461.db2.gz GWFRHIKGQCPJOK-IBGZPJMESA-N 1 1 409.530 4.187 20 5 HIBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH+](Cc4cccs4)CC3)cs2)c1 ZINC000506029497 914713601 /nfs/dbraw/zinc/71/36/01/914713601.db2.gz CBVMNFNVSAFYOT-UHFFFAOYSA-N 1 1 400.529 4.098 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489486773 903415275 /nfs/dbraw/zinc/41/52/75/903415275.db2.gz SIGWVAXBTZMKKD-YLJYHZDGSA-N 1 1 410.518 4.040 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489635139 903509687 /nfs/dbraw/zinc/50/96/87/903509687.db2.gz OVZZGSUYSWOQIA-UHFFFAOYSA-N 1 1 422.460 4.121 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489635139 903509710 /nfs/dbraw/zinc/50/97/10/903509710.db2.gz OVZZGSUYSWOQIA-UHFFFAOYSA-N 1 1 422.460 4.121 20 5 HIBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000489982117 903710547 /nfs/dbraw/zinc/71/05/47/903710547.db2.gz NCBVUXUIHNFARL-SFHVURJKSA-N 1 1 413.543 4.301 20 5 HIBDMO COc1cc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000490168609 903806680 /nfs/dbraw/zinc/80/66/80/903806680.db2.gz XWHOFBZYZTUBTO-OSPHWJPCSA-N 1 1 422.481 4.415 20 5 HIBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491227736 904490064 /nfs/dbraw/zinc/49/00/64/904490064.db2.gz HYMOSBNABHNGSA-CQSZACIVSA-N 1 1 410.392 4.376 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc5ccccn54)C3)o2)cc1 ZINC000506136480 914817939 /nfs/dbraw/zinc/81/79/39/914817939.db2.gz KSMDCRXMJZBCBE-KRWDZBQOSA-N 1 1 403.442 4.277 20 5 HIBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000506136131 914818272 /nfs/dbraw/zinc/81/82/72/914818272.db2.gz KTXIKQQVCQCNMZ-UHFFFAOYSA-N 1 1 413.861 4.500 20 5 HIBDMO Cc1c(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000491541819 904643796 /nfs/dbraw/zinc/64/37/96/904643796.db2.gz VZUWZKHBLUUSBW-LJQANCHMSA-N 1 1 407.392 4.296 20 5 HIBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000493081554 905014548 /nfs/dbraw/zinc/01/45/48/905014548.db2.gz RHERSMYTDLGHNK-QYZOEREBSA-N 1 1 402.539 4.260 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000493104594 905019657 /nfs/dbraw/zinc/01/96/57/905019657.db2.gz JSERTRANJHEFQT-QGZVFWFLSA-N 1 1 414.481 4.021 20 5 HIBDMO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000493104594 905019678 /nfs/dbraw/zinc/01/96/78/905019678.db2.gz JSERTRANJHEFQT-QGZVFWFLSA-N 1 1 414.481 4.021 20 5 HIBDMO C[C@@H]1[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1Cc1ccccc1 ZINC000494070078 905408943 /nfs/dbraw/zinc/40/89/43/905408943.db2.gz UQQCMTQLDRKBQP-VGSWGCGISA-N 1 1 411.505 4.074 20 5 HIBDMO C[C@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000494182113 905516917 /nfs/dbraw/zinc/51/69/17/905516917.db2.gz HOSUYMAAIOJXDM-HXUWFJFHSA-N 1 1 421.419 4.398 20 5 HIBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512428054 921154590 /nfs/dbraw/zinc/15/45/90/921154590.db2.gz OWFXKGVUHBSNLX-NVAPOSRTSA-N 1 1 408.502 4.450 20 5 HIBDMO O=C(NC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427043 921155097 /nfs/dbraw/zinc/15/50/97/921155097.db2.gz KDVNNYPEWTTXQW-JZLODUJNSA-N 1 1 412.465 4.281 20 5 HIBDMO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000494257718 905582250 /nfs/dbraw/zinc/58/22/50/905582250.db2.gz TZLGRLWEDKCXRH-ROUUACIJSA-N 1 1 411.502 4.024 20 5 HIBDMO CCc1nc(C)c(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000494359222 905662173 /nfs/dbraw/zinc/66/21/73/905662173.db2.gz RBUDKQDWDLSKBJ-UHFFFAOYSA-N 1 1 411.458 4.331 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494413131 905701384 /nfs/dbraw/zinc/70/13/84/905701384.db2.gz DAKAEAPIQJRDDZ-UHFFFAOYSA-N 1 1 420.391 4.157 20 5 HIBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2C1 ZINC000494510549 905802130 /nfs/dbraw/zinc/80/21/30/905802130.db2.gz YAHAWADUCVMNSE-UHFFFAOYSA-N 1 1 405.458 4.004 20 5 HIBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CCc1cccs1 ZINC000494883458 906060276 /nfs/dbraw/zinc/06/02/76/906060276.db2.gz QLEFVBUHVMCPJH-CYBMUJFWSA-N 1 1 416.528 4.281 20 5 HIBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)CCc1cccs1 ZINC000494883458 906060294 /nfs/dbraw/zinc/06/02/94/906060294.db2.gz QLEFVBUHVMCPJH-CYBMUJFWSA-N 1 1 416.528 4.281 20 5 HIBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497740700 907237025 /nfs/dbraw/zinc/23/70/25/907237025.db2.gz SRUZNCMLJOFEIR-QGZVFWFLSA-N 1 1 401.894 4.232 20 5 HIBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1Cc1ccccc1 ZINC000498128865 907646913 /nfs/dbraw/zinc/64/69/13/907646913.db2.gz FQBXXEIKLQAIRG-MJGOQNOKSA-N 1 1 418.497 4.268 20 5 HIBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498141164 907663717 /nfs/dbraw/zinc/66/37/17/907663717.db2.gz VMWRNMVBHYGWHZ-SFHVURJKSA-N 1 1 422.510 4.113 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)C1 ZINC000498303475 907829408 /nfs/dbraw/zinc/82/94/08/907829408.db2.gz KPOAPJPOLAMLBX-MRXNPFEDSA-N 1 1 420.469 4.116 20 5 HIBDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC[N@H+]2C2CC2)c1 ZINC000498386712 907873227 /nfs/dbraw/zinc/87/32/27/907873227.db2.gz KCIUNURHVNAQMK-FPOVZHCZSA-N 1 1 410.474 4.011 20 5 HIBDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000498561099 908020962 /nfs/dbraw/zinc/02/09/62/908020962.db2.gz QHRRPEZOPZWCDP-CTNGQTDRSA-N 1 1 410.474 4.011 20 5 HIBDMO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498713430 908138451 /nfs/dbraw/zinc/13/84/51/908138451.db2.gz IPBWGCWCVATZQC-PKOBYXMFSA-N 1 1 410.518 4.040 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000501726793 910789965 /nfs/dbraw/zinc/78/99/65/910789965.db2.gz CTNMCOGSPJQJLK-MRXNPFEDSA-N 1 1 411.487 4.011 20 5 HIBDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000501726793 910789979 /nfs/dbraw/zinc/78/99/79/910789979.db2.gz CTNMCOGSPJQJLK-MRXNPFEDSA-N 1 1 411.487 4.011 20 5 HIBDMO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506444772 915047660 /nfs/dbraw/zinc/04/76/60/915047660.db2.gz QEZCJNAEITTYEN-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506444772 915047681 /nfs/dbraw/zinc/04/76/81/915047681.db2.gz QEZCJNAEITTYEN-UHFFFAOYSA-N 1 1 423.444 4.342 20 5 HIBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506470776 915069619 /nfs/dbraw/zinc/06/96/19/915069619.db2.gz NPECMWCJJICGJD-ZACQAIPSSA-N 1 1 422.957 4.162 20 5 HIBDMO COc1ccccc1O[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000513416999 921785455 /nfs/dbraw/zinc/78/54/55/921785455.db2.gz SFLGKDJPTOKNPP-IBGZPJMESA-N 1 1 409.442 4.302 20 5 HIBDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000513416999 921785460 /nfs/dbraw/zinc/78/54/60/921785460.db2.gz SFLGKDJPTOKNPP-IBGZPJMESA-N 1 1 409.442 4.302 20 5 HIBDMO CC[N@H+](Cc1cccc(Br)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507167668 915908519 /nfs/dbraw/zinc/90/85/19/915908519.db2.gz NNMNUHXWJXXGLX-UHFFFAOYSA-N 1 1 407.264 4.246 20 5 HIBDMO CC[N@@H+](Cc1cccc(Br)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507167668 915908532 /nfs/dbraw/zinc/90/85/32/915908532.db2.gz NNMNUHXWJXXGLX-UHFFFAOYSA-N 1 1 407.264 4.246 20 5 HIBDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000507246361 916007785 /nfs/dbraw/zinc/00/77/85/916007785.db2.gz ILBSNCQDNZIPRL-QWRGUYRKSA-N 1 1 410.243 4.174 20 5 HIBDMO COc1ccc(OC)c(C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000507250515 916011741 /nfs/dbraw/zinc/01/17/41/916011741.db2.gz AZYQNSWCTBDQJN-UHFFFAOYSA-N 1 1 422.485 4.177 20 5 HIBDMO COc1ccc(OC)c(C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000507250515 916011756 /nfs/dbraw/zinc/01/17/56/916011756.db2.gz AZYQNSWCTBDQJN-UHFFFAOYSA-N 1 1 422.485 4.177 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000507634897 916392936 /nfs/dbraw/zinc/39/29/36/916392936.db2.gz JYMAXSWJKPAQBM-UHFFFAOYSA-N 1 1 421.501 4.187 20 5 HIBDMO CCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000508456269 917240690 /nfs/dbraw/zinc/24/06/90/917240690.db2.gz LNLSBSLGJNDTNO-HXUWFJFHSA-N 1 1 411.502 4.120 20 5 HIBDMO NC(=O)CC1CC[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000508626097 917391012 /nfs/dbraw/zinc/39/10/12/917391012.db2.gz SUIRDHPNCINJHI-UHFFFAOYSA-N 1 1 403.866 4.128 20 5 HIBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OCc2ccccn2)c1 ZINC000509585454 918235561 /nfs/dbraw/zinc/23/55/61/918235561.db2.gz JRPFJFHUNFUQNU-INIZCTEOSA-N 1 1 421.453 4.286 20 5 HIBDMO Cc1c(Br)cc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000509691814 918322123 /nfs/dbraw/zinc/32/21/23/918322123.db2.gz FEQLEPIHEJYGTB-DVOMOZLQSA-N 1 1 424.339 4.143 20 5 HIBDMO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000509965142 918555939 /nfs/dbraw/zinc/55/59/39/918555939.db2.gz YWRAFAGNWJBRTC-QGZVFWFLSA-N 1 1 423.498 4.114 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000510099608 918663481 /nfs/dbraw/zinc/66/34/81/918663481.db2.gz PFADXKOOIOZQLZ-AEFFLSMTSA-N 1 1 413.543 4.347 20 5 HIBDMO COc1ccc(NC(=O)C[NH+]2CCC(c3c(C)[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000510174296 918725114 /nfs/dbraw/zinc/72/51/14/918725114.db2.gz XUALMNLXRJWUSC-UHFFFAOYSA-N 1 1 422.485 4.211 20 5 HIBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000510439799 918898357 /nfs/dbraw/zinc/89/83/57/918898357.db2.gz AZCJYGSIQBPRFS-UHFFFAOYSA-N 1 1 416.474 4.054 20 5 HIBDMO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(Br)c1OC ZINC000511073843 919674334 /nfs/dbraw/zinc/67/43/34/919674334.db2.gz NDZJMIJVCWPEHA-UHFFFAOYSA-N 1 1 409.280 4.049 20 5 HIBDMO COc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(Br)c1OC ZINC000511073843 919674347 /nfs/dbraw/zinc/67/43/47/919674347.db2.gz NDZJMIJVCWPEHA-UHFFFAOYSA-N 1 1 409.280 4.049 20 5 HIBDMO Cc1ccc(Sc2ccc(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000511343004 919934264 /nfs/dbraw/zinc/93/42/64/919934264.db2.gz IYUPDADHWISYNP-INIZCTEOSA-N 1 1 411.527 4.435 20 5 HIBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc2sccn21 ZINC000511672616 920338740 /nfs/dbraw/zinc/33/87/40/920338740.db2.gz OOQUZDYBLAMWTD-CYBMUJFWSA-N 1 1 411.409 4.009 20 5 HIBDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000512192250 920935082 /nfs/dbraw/zinc/93/50/82/920935082.db2.gz ATZCVRWIASIIQU-OAHLLOKOSA-N 1 1 403.866 4.270 20 5 HIBDMO CC(C)c1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000512270780 921026936 /nfs/dbraw/zinc/02/69/36/921026936.db2.gz QOYQDWGTURSFKJ-UHFFFAOYSA-N 1 1 409.530 4.385 20 5 HIBDMO CC(C)c1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000512270780 921026953 /nfs/dbraw/zinc/02/69/53/921026953.db2.gz QOYQDWGTURSFKJ-UHFFFAOYSA-N 1 1 409.530 4.385 20 5 HIBDMO Cn1ccnc1[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000513712894 922032321 /nfs/dbraw/zinc/03/23/21/922032321.db2.gz HBUVAAYECXABKK-QFIPXVFZSA-N 1 1 417.469 4.025 20 5 HIBDMO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000513824739 922149996 /nfs/dbraw/zinc/14/99/96/922149996.db2.gz PTNGGPPOXCFZOX-XMGTWHOFSA-N 1 1 403.567 4.033 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000515756608 923329418 /nfs/dbraw/zinc/32/94/18/923329418.db2.gz OTRPQBGVOBRMOA-IEBWSBKVSA-N 1 1 424.545 4.394 20 5 HIBDMO Cc1c(NC(=O)[C@@H](C)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000515756608 923329438 /nfs/dbraw/zinc/32/94/38/923329438.db2.gz OTRPQBGVOBRMOA-IEBWSBKVSA-N 1 1 424.545 4.394 20 5 HIBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000517447668 924196436 /nfs/dbraw/zinc/19/64/36/924196436.db2.gz WEBYTCPKAAOKSL-UHFFFAOYSA-N 1 1 405.454 4.004 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000517537239 924252342 /nfs/dbraw/zinc/25/23/42/924252342.db2.gz MOTLWDPFSUDSQP-XZOQPEGZSA-N 1 1 417.513 4.164 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1 ZINC000517537239 924252355 /nfs/dbraw/zinc/25/23/55/924252355.db2.gz MOTLWDPFSUDSQP-XZOQPEGZSA-N 1 1 417.513 4.164 20 5 HIBDMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(F)cc2)cc1 ZINC000517964467 926908028 /nfs/dbraw/zinc/90/80/28/926908028.db2.gz MEOVSKRLXKZOHN-QHCPKHFHSA-N 1 1 423.444 4.369 20 5 HIBDMO COc1ccc([C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(F)cc2)cc1 ZINC000517964466 926909002 /nfs/dbraw/zinc/90/90/02/926909002.db2.gz MEOVSKRLXKZOHN-HSZRJFAPSA-N 1 1 423.444 4.369 20 5 HIBDMO Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000518311758 927173489 /nfs/dbraw/zinc/17/34/89/927173489.db2.gz QWAIYWHEQKOANB-GOSISDBHSA-N 1 1 401.894 4.341 20 5 HIBDMO Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000518311758 927173504 /nfs/dbraw/zinc/17/35/04/927173504.db2.gz QWAIYWHEQKOANB-GOSISDBHSA-N 1 1 401.894 4.341 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000518568586 927351425 /nfs/dbraw/zinc/35/14/25/927351425.db2.gz WVFLNWQNASNAQJ-HXUWFJFHSA-N 1 1 412.490 4.026 20 5 HIBDMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000519692502 928050750 /nfs/dbraw/zinc/05/07/50/928050750.db2.gz ANMGCYFZYNOILD-AWEZNQCLSA-N 1 1 405.882 4.067 20 5 HIBDMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000519692502 928050766 /nfs/dbraw/zinc/05/07/66/928050766.db2.gz ANMGCYFZYNOILD-AWEZNQCLSA-N 1 1 405.882 4.067 20 5 HIBDMO CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000521195717 929054579 /nfs/dbraw/zinc/05/45/79/929054579.db2.gz QEBXMILOORBTCU-SFHVURJKSA-N 1 1 412.408 4.264 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000524644583 929756941 /nfs/dbraw/zinc/75/69/41/929756941.db2.gz PNSAQYOUZYHECN-UGSOOPFHSA-N 1 1 405.545 4.191 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000524774663 929825072 /nfs/dbraw/zinc/82/50/72/929825072.db2.gz UZMDWGOZGIQSCD-CQSZACIVSA-N 1 1 403.866 4.112 20 5 HIBDMO C[C@@H]1CC[N@H+](CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000524771263 929825297 /nfs/dbraw/zinc/82/52/97/929825297.db2.gz MUDSRBRGXHUZJQ-CYBMUJFWSA-N 1 1 408.296 4.049 20 5 HIBDMO C[C@@H]1CC[N@@H+](CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000524771263 929825300 /nfs/dbraw/zinc/82/53/00/929825300.db2.gz MUDSRBRGXHUZJQ-CYBMUJFWSA-N 1 1 408.296 4.049 20 5 HIBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000525551268 930320281 /nfs/dbraw/zinc/32/02/81/930320281.db2.gz HMBURRSNEHXWHI-MGPUTAFESA-N 1 1 414.531 4.044 20 5 HIBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000525638232 930376930 /nfs/dbraw/zinc/37/69/30/930376930.db2.gz YSVHIORDVGUNOO-ROUUACIJSA-N 1 1 400.479 4.205 20 5 HIBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000525638232 930376936 /nfs/dbraw/zinc/37/69/36/930376936.db2.gz YSVHIORDVGUNOO-ROUUACIJSA-N 1 1 400.479 4.205 20 5 HIBDMO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000525759651 930434476 /nfs/dbraw/zinc/43/44/76/930434476.db2.gz HLCRAGDCLUXTFI-KRWDZBQOSA-N 1 1 406.866 4.104 20 5 HIBDMO C[C@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000530574357 930756147 /nfs/dbraw/zinc/75/61/47/930756147.db2.gz RGDOLCLLOGIHMX-IBGZPJMESA-N 1 1 403.482 4.474 20 5 HIBDMO O=C1[C@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000530716905 930806807 /nfs/dbraw/zinc/80/68/07/930806807.db2.gz NRMNMFQPLAXZTK-UYAOXDASSA-N 1 1 411.458 4.280 20 5 HIBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000531758725 931185198 /nfs/dbraw/zinc/18/51/98/931185198.db2.gz FAFMLPQNMUXNLC-LEWJYISDSA-N 1 1 415.559 4.181 20 5 HIBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532238202 931366203 /nfs/dbraw/zinc/36/62/03/931366203.db2.gz UDXHCSORTAJOGV-WZONZLPQSA-N 1 1 418.497 4.203 20 5 HIBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532238180 931366518 /nfs/dbraw/zinc/36/65/18/931366518.db2.gz UDXHCSORTAJOGV-FDDCHVKYSA-N 1 1 418.497 4.203 20 5 HIBDMO COc1cc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000532728855 931613558 /nfs/dbraw/zinc/61/35/58/931613558.db2.gz MCRSFBAQDZDODK-QGZVFWFLSA-N 1 1 422.428 4.077 20 5 HIBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000532728855 931613560 /nfs/dbraw/zinc/61/35/60/931613560.db2.gz MCRSFBAQDZDODK-QGZVFWFLSA-N 1 1 422.428 4.077 20 5 HIBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000532929736 931699670 /nfs/dbraw/zinc/69/96/70/931699670.db2.gz UIQBBYRKZZBLAY-LBPRGKRZSA-N 1 1 411.380 4.254 20 5 HIBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000532929736 931699686 /nfs/dbraw/zinc/69/96/86/931699686.db2.gz UIQBBYRKZZBLAY-LBPRGKRZSA-N 1 1 411.380 4.254 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000532978831 931723916 /nfs/dbraw/zinc/72/39/16/931723916.db2.gz LWZMHPWXAAAPJD-UHFFFAOYSA-N 1 1 409.486 4.261 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000533030744 931746043 /nfs/dbraw/zinc/74/60/43/931746043.db2.gz BJZSIFBSPATGPD-CYBMUJFWSA-N 1 1 403.866 4.421 20 5 HIBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000533030744 931746049 /nfs/dbraw/zinc/74/60/49/931746049.db2.gz BJZSIFBSPATGPD-CYBMUJFWSA-N 1 1 403.866 4.421 20 5 HIBDMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] ZINC000533047643 931752053 /nfs/dbraw/zinc/75/20/53/931752053.db2.gz QYIVTYLSKXRVEC-INIZCTEOSA-N 1 1 412.421 4.172 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cccc(Br)c1 ZINC000533252121 931819899 /nfs/dbraw/zinc/81/98/99/931819899.db2.gz JBNKEHLUMLLZDO-UHFFFAOYSA-N 1 1 406.280 4.126 20 5 HIBDMO CC1CCC(OC2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)CC1 ZINC000533280385 931826533 /nfs/dbraw/zinc/82/65/33/931826533.db2.gz UGKWALQFHGFYGW-UHFFFAOYSA-N 1 1 400.479 4.205 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000533484743 931881758 /nfs/dbraw/zinc/88/17/58/931881758.db2.gz YFGDEPLHSKIEOG-OAQYLSRUSA-N 1 1 419.485 4.186 20 5 HIBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000533484917 931881775 /nfs/dbraw/zinc/88/17/75/931881775.db2.gz HTRSMGUVUBEVMP-MRXNPFEDSA-N 1 1 407.474 4.307 20 5 HIBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000533524475 931894374 /nfs/dbraw/zinc/89/43/74/931894374.db2.gz HUHWFPYJDGIDOU-NRFANRHFSA-N 1 1 421.501 4.346 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534129284 932294393 /nfs/dbraw/zinc/29/43/93/932294393.db2.gz MWHBRYXQLHRLGJ-FUHWJXTLSA-N 1 1 405.907 4.145 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534129284 932294400 /nfs/dbraw/zinc/29/44/00/932294400.db2.gz MWHBRYXQLHRLGJ-FUHWJXTLSA-N 1 1 405.907 4.145 20 5 HIBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000534133299 932295194 /nfs/dbraw/zinc/29/51/94/932295194.db2.gz DPYAYMIFADUDJN-OAQYLSRUSA-N 1 1 409.873 4.210 20 5 HIBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000534133299 932295201 /nfs/dbraw/zinc/29/52/01/932295201.db2.gz DPYAYMIFADUDJN-OAQYLSRUSA-N 1 1 409.873 4.210 20 5 HIBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000534225177 932344561 /nfs/dbraw/zinc/34/45/61/932344561.db2.gz AZNXZWSOLMSEBF-LIRRHRJNSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000534225177 932344569 /nfs/dbraw/zinc/34/45/69/932344569.db2.gz AZNXZWSOLMSEBF-LIRRHRJNSA-N 1 1 405.857 4.119 20 5 HIBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534233595 932353493 /nfs/dbraw/zinc/35/34/93/932353493.db2.gz HJOUKIRZTZNDPD-UHFFFAOYSA-N 1 1 408.502 4.423 20 5 HIBDMO COc1cc(C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)ccc1O ZINC000534865046 932814005 /nfs/dbraw/zinc/81/40/05/932814005.db2.gz KOHRZNCUXBKNDG-UHFFFAOYSA-N 1 1 409.442 4.171 20 5 HIBDMO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000535432246 933131855 /nfs/dbraw/zinc/13/18/55/933131855.db2.gz OBYPSRFXBVZWTG-AVRDEDQJSA-N 1 1 410.518 4.004 20 5 HIBDMO C[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1Cc1ccccc1 ZINC000535694232 933349372 /nfs/dbraw/zinc/34/93/72/933349372.db2.gz REAVGMRJAUMMAS-WMZOPIPTSA-N 1 1 406.486 4.201 20 5 HIBDMO C[C@H]1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537323679 933716754 /nfs/dbraw/zinc/71/67/54/933716754.db2.gz LHABWKOOTVYQMD-PGRDOPGGSA-N 1 1 419.529 4.138 20 5 HIBDMO C[C@H]1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000537323679 933716760 /nfs/dbraw/zinc/71/67/60/933716760.db2.gz LHABWKOOTVYQMD-PGRDOPGGSA-N 1 1 419.529 4.138 20 5 HIBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618779 938335194 /nfs/dbraw/zinc/33/51/94/938335194.db2.gz KQIDHCUAWDDSHS-LAUBAEHRSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618779 938335200 /nfs/dbraw/zinc/33/52/00/938335200.db2.gz KQIDHCUAWDDSHS-LAUBAEHRSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618779 938335204 /nfs/dbraw/zinc/33/52/04/938335204.db2.gz KQIDHCUAWDDSHS-LAUBAEHRSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537648640 938346129 /nfs/dbraw/zinc/34/61/29/938346129.db2.gz WXWZCKJSXIHTBF-UXHICEINSA-N 1 1 412.486 4.041 20 5 HIBDMO Cc1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000537943438 938427150 /nfs/dbraw/zinc/42/71/50/938427150.db2.gz NWMFVWCPCLEZSE-ONGXBYRLSA-N 1 1 403.910 4.279 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538034838 938475217 /nfs/dbraw/zinc/47/52/17/938475217.db2.gz JTXKJPXSNJBBJM-UHFFFAOYSA-N 1 1 416.566 4.389 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000538271559 938580276 /nfs/dbraw/zinc/58/02/76/938580276.db2.gz RIOGMERRHOXTNZ-SJLPKXTDSA-N 1 1 413.543 4.488 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538602827 938659481 /nfs/dbraw/zinc/65/94/81/938659481.db2.gz ZRBVCSKLHYCIAW-TZIWHRDSSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538602827 938659482 /nfs/dbraw/zinc/65/94/82/938659482.db2.gz ZRBVCSKLHYCIAW-TZIWHRDSSA-N 1 1 419.884 4.270 20 5 HIBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538716933 938688946 /nfs/dbraw/zinc/68/89/46/938688946.db2.gz NZWIDNNCGFKLFV-YLJYHZDGSA-N 1 1 413.518 4.097 20 5 HIBDMO COc1ccc(OC(F)F)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000538734555 938696517 /nfs/dbraw/zinc/69/65/17/938696517.db2.gz KLZMIXWMGPXQNB-UHFFFAOYSA-N 1 1 408.401 4.248 20 5 HIBDMO COc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(OC(F)F)c1 ZINC000538737964 938697501 /nfs/dbraw/zinc/69/75/01/938697501.db2.gz NZQINNSMZGKXTI-UHFFFAOYSA-N 1 1 408.401 4.248 20 5 HIBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000538788102 938711846 /nfs/dbraw/zinc/71/18/46/938711846.db2.gz KFOSZFTUPWTTNM-UONOGXRCSA-N 1 1 401.438 4.079 20 5 HIBDMO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539068578 938791853 /nfs/dbraw/zinc/79/18/53/938791853.db2.gz UOKXHIWOXMSABR-HXUWFJFHSA-N 1 1 417.531 4.010 20 5 HIBDMO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539253571 938827233 /nfs/dbraw/zinc/82/72/33/938827233.db2.gz UWDLFSXJRUUCTM-ZIAGYGMSSA-N 1 1 421.457 4.405 20 5 HIBDMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1-n1cccn1 ZINC000539262913 938829526 /nfs/dbraw/zinc/82/95/26/938829526.db2.gz OMEUOOYDLPYIFH-CABCVRRESA-N 1 1 404.430 4.242 20 5 HIBDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000539312177 938839294 /nfs/dbraw/zinc/83/92/94/938839294.db2.gz IRIBNRQCCGWIAK-QGZVFWFLSA-N 1 1 400.498 4.035 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539357651 938847626 /nfs/dbraw/zinc/84/76/26/938847626.db2.gz ABXLEUQWVZPXAP-IBGZPJMESA-N 1 1 413.543 4.442 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539357652 938847663 /nfs/dbraw/zinc/84/76/63/938847663.db2.gz ABXLEUQWVZPXAP-LJQANCHMSA-N 1 1 413.543 4.442 20 5 HIBDMO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000539816792 938941210 /nfs/dbraw/zinc/94/12/10/938941210.db2.gz CDAGGSXLFVQOFT-QVKFZJNVSA-N 1 1 410.449 4.096 20 5 HIBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000539816792 938941214 /nfs/dbraw/zinc/94/12/14/938941214.db2.gz CDAGGSXLFVQOFT-QVKFZJNVSA-N 1 1 410.449 4.096 20 5 HIBDMO Cn1cccc1C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539818606 938942014 /nfs/dbraw/zinc/94/20/14/938942014.db2.gz ADFKTFZDUZCBAD-UHFFFAOYSA-N 1 1 401.470 4.418 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000539831334 938950741 /nfs/dbraw/zinc/95/07/41/938950741.db2.gz KNJJIXMECDLFTK-GOEBONIOSA-N 1 1 404.772 4.396 20 5 HIBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000539831121 938951104 /nfs/dbraw/zinc/95/11/04/938951104.db2.gz TXUOBGSPZSDYLP-IBGZPJMESA-N 1 1 400.475 4.041 20 5 HIBDMO COc1cc(C[N@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539900720 938973179 /nfs/dbraw/zinc/97/31/79/938973179.db2.gz WPWRKPZSUUQRNX-ZDUSSCGKSA-N 1 1 408.442 4.262 20 5 HIBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C1 ZINC000539901129 938973490 /nfs/dbraw/zinc/97/34/90/938973490.db2.gz OYUGAMXFVQJTPJ-WNYOCNMUSA-N 1 1 406.866 4.277 20 5 HIBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C1 ZINC000539901129 938973491 /nfs/dbraw/zinc/97/34/91/938973491.db2.gz OYUGAMXFVQJTPJ-WNYOCNMUSA-N 1 1 406.866 4.277 20 5 HIBDMO O=C(C[NH2+][C@@H](COc1ccccc1F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000540367695 939213237 /nfs/dbraw/zinc/21/32/37/939213237.db2.gz GRFFZEDVOMHMJQ-IBGZPJMESA-N 1 1 409.417 4.082 20 5 HIBDMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)C[C@H]1CCCCO1 ZINC000540421495 939242432 /nfs/dbraw/zinc/24/24/32/939242432.db2.gz MCLUNLROYKHDNN-GOSISDBHSA-N 1 1 401.463 4.220 20 5 HIBDMO C[N@@H+](CCc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1)C1CC1 ZINC000540431142 939246375 /nfs/dbraw/zinc/24/63/75/939246375.db2.gz WCAMQQKMIGKIME-UHFFFAOYSA-N 1 1 418.291 4.246 20 5 HIBDMO C[C@H]([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccccc1[N+](=O)[O-] ZINC000540477152 939268477 /nfs/dbraw/zinc/26/84/77/939268477.db2.gz OEVXWPCBUALRND-INIZCTEOSA-N 1 1 404.470 4.043 20 5 HIBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)co2)cc1 ZINC000540592232 939313708 /nfs/dbraw/zinc/31/37/08/939313708.db2.gz JBTZRWLSBZVISY-NRFANRHFSA-N 1 1 407.426 4.262 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000540618794 939321960 /nfs/dbraw/zinc/32/19/60/939321960.db2.gz AZLDPCCUAFBYEO-IBGZPJMESA-N 1 1 417.550 4.175 20 5 HIBDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540798947 939376431 /nfs/dbraw/zinc/37/64/31/939376431.db2.gz PZLYLPMYXUCBDW-NQIIRXRSSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540798947 939376436 /nfs/dbraw/zinc/37/64/36/939376436.db2.gz PZLYLPMYXUCBDW-NQIIRXRSSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540801464 939377633 /nfs/dbraw/zinc/37/76/33/939377633.db2.gz YVSNDRPZFLFGGJ-PZJWPPBQSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540801464 939377635 /nfs/dbraw/zinc/37/76/35/939377635.db2.gz YVSNDRPZFLFGGJ-PZJWPPBQSA-N 1 1 419.884 4.270 20 5 HIBDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541166567 939483911 /nfs/dbraw/zinc/48/39/11/939483911.db2.gz JHNFRTRFDWBZSM-DOTOQJQBSA-N 1 1 408.861 4.059 20 5 HIBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541166567 939483912 /nfs/dbraw/zinc/48/39/12/939483912.db2.gz JHNFRTRFDWBZSM-DOTOQJQBSA-N 1 1 408.861 4.059 20 5 HIBDMO CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)CC(C)C ZINC000541708706 939611015 /nfs/dbraw/zinc/61/10/15/939611015.db2.gz UGTVUJVVEOOXKM-KRWDZBQOSA-N 1 1 407.530 4.444 20 5 HIBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000541718734 939613943 /nfs/dbraw/zinc/61/39/43/939613943.db2.gz NZMNEFDFJAUPLD-XMSQKQJNSA-N 1 1 423.513 4.474 20 5 HIBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC[C@H]21 ZINC000541726248 939615135 /nfs/dbraw/zinc/61/51/35/939615135.db2.gz KHOKEPWPJPAJRC-YLJYHZDGSA-N 1 1 417.575 4.433 20 5 HIBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890510 939649361 /nfs/dbraw/zinc/64/93/61/939649361.db2.gz NFJAWBBBHUQUMB-HKUYNNGSSA-N 1 1 406.486 4.040 20 5 HIBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1OC ZINC000541983885 939669987 /nfs/dbraw/zinc/66/99/87/939669987.db2.gz KVAMHDHCCMYXEF-HNNXBMFYSA-N 1 1 402.495 4.131 20 5 HIBDMO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000542035498 939694504 /nfs/dbraw/zinc/69/45/04/939694504.db2.gz FUQOGVRBXDVKJV-APWZRJJASA-N 1 1 412.490 4.293 20 5 HIBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000542317027 939797891 /nfs/dbraw/zinc/79/78/91/939797891.db2.gz OLZAIRLVWGAHJH-FQEVSTJZSA-N 1 1 418.280 4.443 20 5 HIBDMO C/C(=C\c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000543117512 939954639 /nfs/dbraw/zinc/95/46/39/939954639.db2.gz JVEVSQQIIVCYRP-JQIJEIRASA-N 1 1 406.442 4.038 20 5 HIBDMO CCc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403858 940052826 /nfs/dbraw/zinc/05/28/26/940052826.db2.gz WZNBSUILICIGGF-IERDGZPVSA-N 1 1 410.449 4.242 20 5 HIBDMO CCc1ccc([C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403857 940052893 /nfs/dbraw/zinc/05/28/93/940052893.db2.gz WZNBSUILICIGGF-HRAATJIYSA-N 1 1 410.449 4.242 20 5 HIBDMO CCc1ccc([C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403859 940052902 /nfs/dbraw/zinc/05/29/02/940052902.db2.gz WZNBSUILICIGGF-IIBYNOLFSA-N 1 1 410.449 4.242 20 5 HIBDMO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000543480172 940078257 /nfs/dbraw/zinc/07/82/57/940078257.db2.gz KKORCMILBFNGQT-UXDRXVOSSA-N 1 1 411.477 4.149 20 5 HIBDMO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000563842310 945311100 /nfs/dbraw/zinc/31/11/00/945311100.db2.gz PKESJLMIOVBHNW-SECBINFHSA-N 1 1 418.181 4.328 20 5 HIBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544551468 940477677 /nfs/dbraw/zinc/47/76/77/940477677.db2.gz ASGOQSCKELDABM-GESALYCCSA-N 1 1 405.857 4.052 20 5 HIBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544551468 940477678 /nfs/dbraw/zinc/47/76/78/940477678.db2.gz ASGOQSCKELDABM-GESALYCCSA-N 1 1 405.857 4.052 20 5 HIBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000544615446 940490770 /nfs/dbraw/zinc/49/07/70/940490770.db2.gz OUPZZZKMFMLUSN-PEZBUJJGSA-N 1 1 406.442 4.038 20 5 HIBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000544615442 940490786 /nfs/dbraw/zinc/49/07/86/940490786.db2.gz OUPZZZKMFMLUSN-JQIJEIRASA-N 1 1 406.442 4.038 20 5 HIBDMO Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)nc12 ZINC000546873102 940899204 /nfs/dbraw/zinc/89/92/04/940899204.db2.gz PJGYPAPSZBRROB-ZDUSSCGKSA-N 1 1 403.280 4.473 20 5 HIBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)CC2 ZINC000546973282 940932400 /nfs/dbraw/zinc/93/24/00/940932400.db2.gz KOTQDPAMAPCAQV-UHFFFAOYSA-N 1 1 411.527 4.446 20 5 HIBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](CC(=O)N(C)C)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000549172197 941168334 /nfs/dbraw/zinc/16/83/34/941168334.db2.gz WKLPFNWMGXKYMK-FQEVSTJZSA-N 1 1 423.469 4.173 20 5 HIBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549942195 941243829 /nfs/dbraw/zinc/24/38/29/941243829.db2.gz RAWVJFVSSBICFB-HIFRSBDPSA-N 1 1 407.392 4.179 20 5 HIBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000551259526 941437341 /nfs/dbraw/zinc/43/73/41/941437341.db2.gz QICRHWUHLMFDIX-UONOGXRCSA-N 1 1 424.339 4.049 20 5 HIBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000551277056 941442223 /nfs/dbraw/zinc/44/22/23/941442223.db2.gz GTARTYNADLQGEV-KRWDZBQOSA-N 1 1 411.502 4.232 20 5 HIBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)s1 ZINC000552002951 941565942 /nfs/dbraw/zinc/56/59/42/941565942.db2.gz HWMLIQSOAVCPNB-OAHLLOKOSA-N 1 1 412.515 4.040 20 5 HIBDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000552241983 941611370 /nfs/dbraw/zinc/61/13/70/941611370.db2.gz KJDDGLGUUKXVRQ-IBGZPJMESA-N 1 1 405.882 4.070 20 5 HIBDMO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552244153 941613051 /nfs/dbraw/zinc/61/30/51/941613051.db2.gz WEHVKCLPGLETHC-KNQAVFIVSA-N 1 1 423.492 4.124 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552252790 941614595 /nfs/dbraw/zinc/61/45/95/941614595.db2.gz XSCZTQDSPCBWNS-KSEOMHKRSA-N 1 1 406.486 4.175 20 5 HIBDMO COc1cc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552300471 941626661 /nfs/dbraw/zinc/62/66/61/941626661.db2.gz IZCNQYIMGVIKEM-MRXNPFEDSA-N 1 1 408.442 4.118 20 5 HIBDMO COc1cc(C[N@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552300471 941626666 /nfs/dbraw/zinc/62/66/66/941626666.db2.gz IZCNQYIMGVIKEM-MRXNPFEDSA-N 1 1 408.442 4.118 20 5 HIBDMO C[C@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000552920429 941803091 /nfs/dbraw/zinc/80/30/91/941803091.db2.gz UTAQBHBPKVFLOE-INIZCTEOSA-N 1 1 402.454 4.295 20 5 HIBDMO CCC[N@@H+](C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553242855 941855693 /nfs/dbraw/zinc/85/56/93/941855693.db2.gz MRYUUYXMIJAHQN-IBGZPJMESA-N 1 1 415.881 4.392 20 5 HIBDMO CC(=O)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000555231684 942439095 /nfs/dbraw/zinc/43/90/95/942439095.db2.gz AIOFTRCYELCOEN-OAQYLSRUSA-N 1 1 423.513 4.138 20 5 HIBDMO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000555358684 942493623 /nfs/dbraw/zinc/49/36/23/942493623.db2.gz ZBVHROFZKFDTNC-UHFFFAOYSA-N 1 1 414.554 4.066 20 5 HIBDMO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000557039060 943001459 /nfs/dbraw/zinc/00/14/59/943001459.db2.gz UQASVWHTPXQKGL-UGSOOPFHSA-N 1 1 407.392 4.006 20 5 HIBDMO Cc1ccc(NC(=O)c2ccc(N3CC[C@@]4(C3)CCC[N@H+](C)C4)c([N+](=O)[O-])c2)cc1 ZINC000558950637 943770037 /nfs/dbraw/zinc/77/00/37/943770037.db2.gz FEFZPHHOGWUXTN-QHCPKHFHSA-N 1 1 408.502 4.078 20 5 HIBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000559497255 943984026 /nfs/dbraw/zinc/98/40/26/943984026.db2.gz LEHVJEWNFFACEH-UHFFFAOYSA-N 1 1 420.307 4.047 20 5 HIBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000560482172 944236297 /nfs/dbraw/zinc/23/62/97/944236297.db2.gz KXNZJWOZASTXGX-OAHLLOKOSA-N 1 1 419.572 4.281 20 5 HIBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000560530103 944243547 /nfs/dbraw/zinc/24/35/47/944243547.db2.gz ZOCDVHNTQGMGOR-GOSISDBHSA-N 1 1 415.291 4.013 20 5 HIBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000560596602 944268074 /nfs/dbraw/zinc/26/80/74/944268074.db2.gz OPVMESUUBIAMFP-UHFFFAOYSA-N 1 1 416.547 4.084 20 5 HIBDMO Cn1cc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560611456 944273401 /nfs/dbraw/zinc/27/34/01/944273401.db2.gz BPJUVWGJOCJPOW-FQEVSTJZSA-N 1 1 412.877 4.302 20 5 HIBDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000566706254 946078064 /nfs/dbraw/zinc/07/80/64/946078064.db2.gz WIKZYPGPPORSKY-QHCPKHFHSA-N 1 1 414.502 4.167 20 5 HIBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000570585307 947303252 /nfs/dbraw/zinc/30/32/52/947303252.db2.gz OXUFZBUWFSSDSI-FQEVSTJZSA-N 1 1 421.501 4.035 20 5 HIBDMO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)no1 ZINC000574202539 948386447 /nfs/dbraw/zinc/38/64/47/948386447.db2.gz GHYDZWUNURUBCM-UHFFFAOYSA-N 1 1 401.444 4.123 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574560567 948474847 /nfs/dbraw/zinc/47/48/47/948474847.db2.gz KHBQKWDQSDJUDW-WOJBJXKFSA-N 1 1 408.502 4.197 20 5 HIBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000574560564 948475032 /nfs/dbraw/zinc/47/50/32/948475032.db2.gz KHBQKWDQSDJUDW-PMACEKPBSA-N 1 1 408.502 4.197 20 5 HIBDMO COc1cc(C[NH+]2CC3(CCC3(F)F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000575034852 948579578 /nfs/dbraw/zinc/57/95/78/948579578.db2.gz FOCQAHJWVFEPGQ-UHFFFAOYSA-N 1 1 404.413 4.414 20 5 HIBDMO