smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001165026951 721808059 /nfs/dbraw/zinc/80/80/59/721808059.db2.gz SWRJNTPGYWTZCZ-RZFNWQHOSA-N 1 0 417.513 4.275 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436246100 861555524 /nfs/dbraw/zinc/55/55/24/861555524.db2.gz JFLCQPGTDSGJFP-ZIFCJYIRSA-N 1 0 403.526 4.159 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000007946364 845452411 /nfs/dbraw/zinc/45/24/11/845452411.db2.gz IQQJHCQRLGSNNL-INIZCTEOSA-N 1 0 401.532 4.234 20 5 HIBDRO CCc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000436287595 861593874 /nfs/dbraw/zinc/59/38/74/861593874.db2.gz SVIXYONNPYFQQF-KGVIQGDOSA-N 1 0 411.502 4.220 20 5 HIBDRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000017590264 846260456 /nfs/dbraw/zinc/26/04/56/846260456.db2.gz DOTMIMKKQUGCIU-UHFFFAOYSA-N 1 0 421.419 4.270 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000026224847 847106090 /nfs/dbraw/zinc/10/60/90/847106090.db2.gz GYGDTENWEBCXHM-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000042635922 848336115 /nfs/dbraw/zinc/33/61/15/848336115.db2.gz BJYDMGKTEAEHHZ-HZPDHXFCSA-N 1 0 415.490 4.378 20 5 HIBDRO COc1cccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)c1 ZINC000043342924 848412316 /nfs/dbraw/zinc/41/23/16/848412316.db2.gz QTOBJKCCVPUAJT-IBGZPJMESA-N 1 0 418.881 4.215 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000045777341 848726728 /nfs/dbraw/zinc/72/67/28/848726728.db2.gz PPGCMZOWQMSOOL-UHFFFAOYSA-N 1 0 410.518 4.168 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000045874039 848745155 /nfs/dbraw/zinc/74/51/55/848745155.db2.gz GXCSLHNJMITSLY-UZLBHIALSA-N 1 0 401.532 4.275 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000046818076 848942051 /nfs/dbraw/zinc/94/20/51/848942051.db2.gz KIFUJDQAGXMCDW-STQMWFEESA-N 1 0 411.380 4.480 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133709 849436015 /nfs/dbraw/zinc/43/60/15/849436015.db2.gz OJLDCAINXQPFOU-WMZHIEFXSA-N 1 0 411.502 4.332 20 5 HIBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133767 849436048 /nfs/dbraw/zinc/43/60/48/849436048.db2.gz DQUFYSHJACKIST-HRAATJIYSA-N 1 0 417.893 4.286 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000052611810 849602351 /nfs/dbraw/zinc/60/23/51/849602351.db2.gz WFDIWLDVQNYLEZ-OAHLLOKOSA-N 1 0 405.414 4.166 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847953 849632764 /nfs/dbraw/zinc/63/27/64/849632764.db2.gz CRDIZNSZEOOHTQ-UHFFFAOYSA-N 1 0 412.309 4.188 20 5 HIBDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000054295161 849842418 /nfs/dbraw/zinc/84/24/18/849842418.db2.gz LLDDQUIKKQHGDJ-UHFFFAOYSA-N 1 0 409.486 4.135 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000055055663 849965579 /nfs/dbraw/zinc/96/55/79/849965579.db2.gz MQPFAPNPLCNRKZ-UHFFFAOYSA-N 1 0 405.292 4.195 20 5 HIBDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056161824 850264718 /nfs/dbraw/zinc/26/47/18/850264718.db2.gz OFKKFIMKGKQPMO-JKSUJKDBSA-N 1 0 415.490 4.378 20 5 HIBDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056161991 850264807 /nfs/dbraw/zinc/26/48/07/850264807.db2.gz PBLSXIVIGBUHBC-CABCVRRESA-N 1 0 401.463 4.070 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000056170616 850269674 /nfs/dbraw/zinc/26/96/74/850269674.db2.gz YQDSOUJYQKXOTN-LSDHHAIUSA-N 1 0 401.463 4.068 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000058952298 850966549 /nfs/dbraw/zinc/96/65/49/850966549.db2.gz TYGZNCQQZQLKHK-QGZVFWFLSA-N 1 0 413.543 4.235 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000060269513 851057327 /nfs/dbraw/zinc/05/73/27/851057327.db2.gz YTIIMWJMOOOBEK-FQEVSTJZSA-N 1 0 415.465 4.052 20 5 HIBDRO O=C(CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000060482668 851115150 /nfs/dbraw/zinc/11/51/50/851115150.db2.gz WBBJTTYSSNVNHP-UHFFFAOYSA-N 1 0 415.877 4.172 20 5 HIBDRO O=C(NC1CC1)c1ccc(NCc2cccc(C[NH+]3CCCCCC3)c2)c([N+](=O)[O-])c1 ZINC000060862875 851234440 /nfs/dbraw/zinc/23/44/40/851234440.db2.gz GDNWOMAZSQDFIQ-UHFFFAOYSA-N 1 0 422.529 4.475 20 5 HIBDRO COc1cc(C[NH2+]CC2(N(C)C)CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061555453 851403354 /nfs/dbraw/zinc/40/33/54/851403354.db2.gz VCIQVMSOJALQEH-UHFFFAOYSA-N 1 0 413.518 4.146 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000437092908 862284592 /nfs/dbraw/zinc/28/45/92/862284592.db2.gz MRLHRFLPDKYFSS-PCODUJHASA-N 1 0 400.441 4.379 20 5 HIBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000064448242 851900021 /nfs/dbraw/zinc/90/00/21/851900021.db2.gz LBEZPDVCQOSXAN-UHFFFAOYSA-N 1 0 421.419 4.350 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000064735380 851970791 /nfs/dbraw/zinc/97/07/91/851970791.db2.gz BOSUKONUHNXCJD-ZCNNSNEGSA-N 1 0 417.553 4.019 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000065102266 852064030 /nfs/dbraw/zinc/06/40/30/852064030.db2.gz TWLWULDJSACHGT-IYBDPMFKSA-N 1 0 416.547 4.206 20 5 HIBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065936392 852324898 /nfs/dbraw/zinc/32/48/98/852324898.db2.gz FQDPXLDCWOBGTG-UHFFFAOYSA-N 1 0 416.909 4.027 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)C1 ZINC000071931703 852435343 /nfs/dbraw/zinc/43/53/43/852435343.db2.gz XGFFPBPYNKAZPM-QGZVFWFLSA-N 1 0 419.485 4.265 20 5 HIBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437163316 862358480 /nfs/dbraw/zinc/35/84/80/862358480.db2.gz MERXYLTVUSHTPL-HNNXBMFYSA-N 1 0 413.421 4.242 20 5 HIBDRO COc1ccc(C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C2CC2)cc1 ZINC000096981767 852567866 /nfs/dbraw/zinc/56/78/66/852567866.db2.gz PAQFBOVEUWPULP-HNNXBMFYSA-N 1 0 408.458 4.454 20 5 HIBDRO COc1ccc(C[N@@H+]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 ZINC000105432829 852705494 /nfs/dbraw/zinc/70/54/94/852705494.db2.gz ONSJWMZTXWPWDN-UHFFFAOYSA-N 1 0 420.307 4.078 20 5 HIBDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000108416681 852848774 /nfs/dbraw/zinc/84/87/74/852848774.db2.gz BEACFJZNGULRFV-GJZGRUSLSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1ccc2[nH]cc(C3CC[NH+](Cc4cc([N+](=O)[O-])cc5c4OCOC5)CC3)c2c1 ZINC000108972158 852902145 /nfs/dbraw/zinc/90/21/45/852902145.db2.gz FOOAXBVNMXBTNG-UHFFFAOYSA-N 1 0 423.469 4.331 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000112658765 853238013 /nfs/dbraw/zinc/23/80/13/853238013.db2.gz FSWSSTYFFAUNTC-IRXDYDNUSA-N 1 0 422.957 4.019 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000140107918 853434166 /nfs/dbraw/zinc/43/41/66/853434166.db2.gz OYCYAKIAAIRBRH-CQSZACIVSA-N 1 0 405.545 4.020 20 5 HIBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000141512509 853474365 /nfs/dbraw/zinc/47/43/65/853474365.db2.gz KKMNQDSBUXZLQG-UHFFFAOYSA-N 1 0 419.481 4.262 20 5 HIBDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000236937066 853940339 /nfs/dbraw/zinc/94/03/39/853940339.db2.gz FAHQTEOVLAFVJT-UHFFFAOYSA-N 1 0 416.547 4.235 20 5 HIBDRO CCC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000237031129 853953353 /nfs/dbraw/zinc/95/33/53/853953353.db2.gz RZTIOZREJBZPHA-NRFANRHFSA-N 1 0 410.518 4.400 20 5 HIBDRO COc1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc(Br)c1OC ZINC000237103299 853965206 /nfs/dbraw/zinc/96/52/06/853965206.db2.gz ZOCPJSUNIZMWMT-FNORWQNLSA-N 1 0 407.264 4.178 20 5 HIBDRO COc1cc(C[NH2+][C@H](CO)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237232727 853987388 /nfs/dbraw/zinc/98/73/88/853987388.db2.gz WUPNLMKNRKGNMH-OAQYLSRUSA-N 1 0 408.454 4.006 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000237342492 854009911 /nfs/dbraw/zinc/00/99/11/854009911.db2.gz YXTNMJCNWWECGD-OAHLLOKOSA-N 1 0 406.442 4.102 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3ccc4c(c3)OCCO4)o2)c([N+](=O)[O-])c1 ZINC000237425974 854030872 /nfs/dbraw/zinc/03/08/72/854030872.db2.gz GJWZUSXZYAPWPK-CQSZACIVSA-N 1 0 410.426 4.485 20 5 HIBDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000237682040 854075187 /nfs/dbraw/zinc/07/51/87/854075187.db2.gz AMSWGXBBLLZSSQ-UHFFFAOYSA-N 1 0 419.481 4.253 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCNc3nccc(C(F)(F)F)n3)s2)cc1 ZINC000237704967 854079161 /nfs/dbraw/zinc/07/91/61/854079161.db2.gz FTPIYDDAAOBDCM-UHFFFAOYSA-N 1 0 423.420 4.334 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000237707572 854079683 /nfs/dbraw/zinc/07/96/83/854079683.db2.gz CCMNNVWKSZIEGK-CYBMUJFWSA-N 1 0 400.788 4.031 20 5 HIBDRO Cn1cc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237760952 854090838 /nfs/dbraw/zinc/09/08/38/854090838.db2.gz ZOEDLBPHECMTMK-UHFFFAOYSA-N 1 0 409.877 4.462 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000237773132 854093646 /nfs/dbraw/zinc/09/36/46/854093646.db2.gz MWSJDOOFKMVJKJ-GOSISDBHSA-N 1 0 406.866 4.326 20 5 HIBDRO Cn1cc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237920803 854119876 /nfs/dbraw/zinc/11/98/76/854119876.db2.gz LKQJMCUYVRESPV-UHFFFAOYSA-N 1 0 404.392 4.346 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(Br)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931288 854120854 /nfs/dbraw/zinc/12/08/54/854120854.db2.gz NMDPYBHJQITXQG-UHFFFAOYSA-N 1 0 419.254 4.187 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CCOC[C@@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000237929925 854120875 /nfs/dbraw/zinc/12/08/75/854120875.db2.gz LFNHTSPHUUKGBU-INIZCTEOSA-N 1 0 406.866 4.326 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3nnc(-c4ccccc4)o3)cs2)c1 ZINC000238007022 854132481 /nfs/dbraw/zinc/13/24/81/854132481.db2.gz JZGWGOHYXFCNRX-UHFFFAOYSA-N 1 0 407.455 4.101 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3cnn(-c4ccccc4)c3)cs2)c1 ZINC000238006787 854133066 /nfs/dbraw/zinc/13/30/66/854133066.db2.gz COWKFYKYFUOOLZ-UHFFFAOYSA-N 1 0 405.483 4.236 20 5 HIBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000247289185 854156616 /nfs/dbraw/zinc/15/66/16/854156616.db2.gz AIDGPFUDELJESV-UHFFFAOYSA-N 1 0 410.518 4.089 20 5 HIBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000251223124 854197494 /nfs/dbraw/zinc/19/74/94/854197494.db2.gz IOIXGUQQEGATMY-DNVCBOLYSA-N 1 0 400.866 4.396 20 5 HIBDRO CC1CC[NH+]([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301093897 854294170 /nfs/dbraw/zinc/29/41/70/854294170.db2.gz PBFZSCBEKYADDO-OAQYLSRUSA-N 1 0 407.474 4.129 20 5 HIBDRO Cn1c(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000301262759 854342035 /nfs/dbraw/zinc/34/20/35/854342035.db2.gz DIQDXAOIUVFFOL-QMMMGPOBSA-N 1 0 421.832 4.014 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)cc2)C1 ZINC000301336397 854363391 /nfs/dbraw/zinc/36/33/91/854363391.db2.gz CZRPPZHQMISZFD-KRWDZBQOSA-N 1 0 424.501 4.395 20 5 HIBDRO COC(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000301368209 854372622 /nfs/dbraw/zinc/37/26/22/854372622.db2.gz TWFPEYOLZGSNIR-UHFFFAOYSA-N 1 0 403.866 4.111 20 5 HIBDRO O=C(c1cc(NC2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301521812 854412316 /nfs/dbraw/zinc/41/23/16/854412316.db2.gz FYEGCTHRNAFFMO-UHFFFAOYSA-N 1 0 400.523 4.040 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCOCC1)c1ccccc1 ZINC000301581892 854424523 /nfs/dbraw/zinc/42/45/23/854424523.db2.gz PVVHQGQPIXXLSQ-QGZVFWFLSA-N 1 0 406.486 4.455 20 5 HIBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)cc1C(F)(F)F ZINC000301824593 854472087 /nfs/dbraw/zinc/47/20/87/854472087.db2.gz LXWDVRWDGUDEFG-JTQLQIEISA-N 1 0 413.425 4.158 20 5 HIBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000301973153 854507197 /nfs/dbraw/zinc/50/71/97/854507197.db2.gz AAVFWJXSZFSBLD-CALCHBBNSA-N 1 0 405.539 4.098 20 5 HIBDRO C[C@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000301973155 854507454 /nfs/dbraw/zinc/50/74/54/854507454.db2.gz AAVFWJXSZFSBLD-IRXDYDNUSA-N 1 0 405.539 4.098 20 5 HIBDRO C[NH+](C)C1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)CC1 ZINC000301989437 854511193 /nfs/dbraw/zinc/51/11/93/854511193.db2.gz MBENNTMOLCDUNM-UHFFFAOYSA-N 1 0 406.433 4.470 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000302164711 854540581 /nfs/dbraw/zinc/54/05/81/854540581.db2.gz KNCLYLHESHEHBZ-CYBMUJFWSA-N 1 0 409.533 4.178 20 5 HIBDRO Cc1cc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302195479 854548181 /nfs/dbraw/zinc/54/81/81/854548181.db2.gz SLBZGPCPVJBFFD-UHFFFAOYSA-N 1 0 424.888 4.457 20 5 HIBDRO Cc1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302203393 854550148 /nfs/dbraw/zinc/55/01/48/854550148.db2.gz VYVFMOQJYBAORM-NRFANRHFSA-N 1 0 406.442 4.181 20 5 HIBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000302667998 854600744 /nfs/dbraw/zinc/60/07/44/854600744.db2.gz RHCUWMBXGMOSFT-ROUUACIJSA-N 1 0 424.545 4.069 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000302811355 854642777 /nfs/dbraw/zinc/64/27/77/854642777.db2.gz PVSQXTBZSGCIKQ-QRWLVFNGSA-N 1 0 416.524 4.105 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000303448214 854947345 /nfs/dbraw/zinc/94/73/45/854947345.db2.gz HONHUMPVOBYJQU-UHFFFAOYSA-N 1 0 411.502 4.161 20 5 HIBDRO CCC(CC)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH2+][C@H](C)c1ccccc1 ZINC000303478458 854973810 /nfs/dbraw/zinc/97/38/10/854973810.db2.gz PLFNQCWZBGMTEV-OAHLLOKOSA-N 1 0 409.490 4.111 20 5 HIBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000303766309 855184686 /nfs/dbraw/zinc/18/46/86/855184686.db2.gz PRTIITKQHGVZRV-IBGZPJMESA-N 1 0 417.893 4.453 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303809745 855213777 /nfs/dbraw/zinc/21/37/77/855213777.db2.gz YQDTWBFSXKQEMJ-DOTOQJQBSA-N 1 0 401.894 4.373 20 5 HIBDRO CCCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OCCC)c1 ZINC000426003271 856040365 /nfs/dbraw/zinc/04/03/65/856040365.db2.gz ROWVEXLDSCTOLC-UHFFFAOYSA-N 1 0 402.495 4.206 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000426230596 856191434 /nfs/dbraw/zinc/19/14/34/856191434.db2.gz MNFQOQXDWYVEBB-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426236378 856193568 /nfs/dbraw/zinc/19/35/68/856193568.db2.gz FZHQIYJNTIVZRT-LJQANCHMSA-N 1 0 414.531 4.167 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000426469564 856307548 /nfs/dbraw/zinc/30/75/48/856307548.db2.gz QNODECOMSVHPJC-SFHVURJKSA-N 1 0 422.529 4.494 20 5 HIBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)C[C@H]2C1 ZINC000427775872 856949444 /nfs/dbraw/zinc/94/94/44/856949444.db2.gz DYRGMQZKNHXVPI-OKILXGFUSA-N 1 0 417.918 4.033 20 5 HIBDRO COCC(C)(C)C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000427842565 856977456 /nfs/dbraw/zinc/97/74/56/856977456.db2.gz RWJVVKLOZNGSBY-GOSISDBHSA-N 1 0 405.882 4.190 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000428730952 857312723 /nfs/dbraw/zinc/31/27/23/857312723.db2.gz XHWBFCNBGYRYHS-QZTJIDSGSA-N 1 0 405.564 4.289 20 5 HIBDRO CCCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000437608179 862923972 /nfs/dbraw/zinc/92/39/72/862923972.db2.gz UEQISNLFEUJBFM-HZPDHXFCSA-N 1 0 422.526 4.119 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000429437786 857668836 /nfs/dbraw/zinc/66/88/36/857668836.db2.gz OXTRQNUPBNHZRO-RDJZCZTQSA-N 1 0 421.335 4.119 20 5 HIBDRO CCOC(=O)c1csc(C2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000429569328 857754482 /nfs/dbraw/zinc/75/44/82/857754482.db2.gz SDWXEOPMKUVGMB-CQSZACIVSA-N 1 0 403.504 4.477 20 5 HIBDRO 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 858296000 /nfs/dbraw/zinc/29/60/00/858296000.db2.gz GGEKLFBBSPZTOV-WCJKSRRJSA-N 1 0 416.474 4.022 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000430813478 858313972 /nfs/dbraw/zinc/31/39/72/858313972.db2.gz DWQMBCWRIDLBDT-CJNGLKHVSA-N 1 0 401.429 4.244 20 5 HIBDRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000431158135 858477569 /nfs/dbraw/zinc/47/75/69/858477569.db2.gz HZJOBMNKEMRDBI-UHFFFAOYSA-N 1 0 417.531 4.052 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000431685795 858739676 /nfs/dbraw/zinc/73/96/76/858739676.db2.gz LEBARSDNINBHAZ-DNVCBOLYSA-N 1 0 416.547 4.274 20 5 HIBDRO CC(C)(NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000431867576 858846867 /nfs/dbraw/zinc/84/68/67/858846867.db2.gz ZZQHOTSWBVJPGI-UHFFFAOYSA-N 1 0 410.518 4.315 20 5 HIBDRO CC(C)(NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431871224 858848907 /nfs/dbraw/zinc/84/89/07/858848907.db2.gz PNZBTKFORFXHTF-KRWDZBQOSA-N 1 0 402.520 4.028 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431927090 858874003 /nfs/dbraw/zinc/87/40/03/858874003.db2.gz RLBJSGDITVJVLM-UHFFFAOYSA-N 1 0 420.307 4.081 20 5 HIBDRO C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414838 859154008 /nfs/dbraw/zinc/15/40/08/859154008.db2.gz MNQMXBRJBZMAIM-IRXDYDNUSA-N 1 0 403.548 4.475 20 5 HIBDRO 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 859353851 /nfs/dbraw/zinc/35/38/51/859353851.db2.gz FMPZEEWMDHOJMK-IAGOWNOFSA-N 1 0 415.456 4.241 20 5 HIBDRO COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000433021360 859481968 /nfs/dbraw/zinc/48/19/68/859481968.db2.gz QTLONCRLBDGPNN-UHFFFAOYSA-N 1 0 408.458 4.341 20 5 HIBDRO C[C@H](SCC[N@H+](C)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433022503 859483453 /nfs/dbraw/zinc/48/34/53/859483453.db2.gz VTBHALPOPXYVCW-AWEZNQCLSA-N 1 0 407.923 4.440 20 5 HIBDRO COc1ccc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(OC)c1OC ZINC000433166134 859549387 /nfs/dbraw/zinc/54/93/87/859549387.db2.gz DYAJFUVWFZDPAI-GOSISDBHSA-N 1 0 400.475 4.175 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@@]3(O)CCO[C@@H]3C)cc2[N+](=O)[O-])c1 ZINC000433188231 859559487 /nfs/dbraw/zinc/55/94/87/859559487.db2.gz BQGOKGJDFDLTQX-HXOBKFHXSA-N 1 0 414.502 4.448 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302345 859625818 /nfs/dbraw/zinc/62/58/18/859625818.db2.gz IUJDXMCFJLXNNO-OAHLLOKOSA-N 1 0 403.866 4.075 20 5 HIBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000434311615 860273721 /nfs/dbraw/zinc/27/37/21/860273721.db2.gz HRIBWVCSPCFZJT-IBGZPJMESA-N 1 0 419.485 4.107 20 5 HIBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000434316637 860276793 /nfs/dbraw/zinc/27/67/93/860276793.db2.gz NFTYMRIVXKEUNX-HXUWFJFHSA-N 1 0 419.485 4.107 20 5 HIBDRO C[N@H+](CCCCCO)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000434688321 860461733 /nfs/dbraw/zinc/46/17/33/860461733.db2.gz KZJXSZLTSXOQJN-IBGZPJMESA-N 1 0 405.882 4.022 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000434856731 860525256 /nfs/dbraw/zinc/52/52/56/860525256.db2.gz UKEBTFWBWQPWGK-CQSZACIVSA-N 1 0 423.404 4.305 20 5 HIBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435283454 860718153 /nfs/dbraw/zinc/71/81/53/860718153.db2.gz XXLUAZBSZAAQOR-FQEVSTJZSA-N 1 0 419.485 4.107 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000435739464 861020577 /nfs/dbraw/zinc/02/05/77/861020577.db2.gz AQWWVNQSLHIVDU-UXHICEINSA-N 1 0 422.529 4.243 20 5 HIBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC1 ZINC000435750032 861030766 /nfs/dbraw/zinc/03/07/66/861030766.db2.gz WHEGNXPFJVWFDI-MHZLTWQESA-N 1 0 408.907 4.431 20 5 HIBDRO CC[C@@H]1C[C@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000435777481 861052566 /nfs/dbraw/zinc/05/25/66/861052566.db2.gz CVHLWQNJWXIHKG-PJSAGSTRSA-N 1 0 418.291 4.425 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435830045 861093099 /nfs/dbraw/zinc/09/30/99/861093099.db2.gz AKTJQNHZUYHRRP-UHFFFAOYSA-N 1 0 411.505 4.076 20 5 HIBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435881126 861139632 /nfs/dbraw/zinc/13/96/32/861139632.db2.gz SKNPTLQEPMFKON-XMMPIXPASA-N 1 0 411.505 4.248 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)o2)c(Br)c1 ZINC000438902170 864382261 /nfs/dbraw/zinc/38/22/61/864382261.db2.gz DXSZJUHBCWTVFU-LESCRADOSA-N 1 0 407.264 4.274 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438953399 864425175 /nfs/dbraw/zinc/42/51/75/864425175.db2.gz OLWONKGMQGJLGS-DOTOQJQBSA-N 1 0 401.894 4.197 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000440546581 865814185 /nfs/dbraw/zinc/81/41/85/865814185.db2.gz XZVYIHSJQQSXQT-GOSISDBHSA-N 1 0 413.543 4.301 20 5 HIBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441062673 866143475 /nfs/dbraw/zinc/14/34/75/866143475.db2.gz NMVJGDFNOPFYNB-AEFFLSMTSA-N 1 0 411.527 4.302 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000441230010 866306845 /nfs/dbraw/zinc/30/68/45/866306845.db2.gz KUFPBTPKXCSEAJ-UHFFFAOYSA-N 1 0 403.866 4.250 20 5 HIBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370208 866439874 /nfs/dbraw/zinc/43/98/74/866439874.db2.gz HDJVBJQTZKDIAN-RXVVDRJESA-N 1 0 421.501 4.075 20 5 HIBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442730824 867652576 /nfs/dbraw/zinc/65/25/76/867652576.db2.gz FZTPZYGZEXNHJU-MRXNPFEDSA-N 1 0 411.527 4.493 20 5 HIBDRO COc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071806 867809919 /nfs/dbraw/zinc/80/99/19/867809919.db2.gz QPRREAFBTFDBJW-UZLBHIALSA-N 1 0 400.475 4.182 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000443337308 867910462 /nfs/dbraw/zinc/91/04/62/867910462.db2.gz UFQZJJSSVHOGNZ-LLVKDONJSA-N 1 0 412.309 4.407 20 5 HIBDRO COc1ccc([C@H](CNc2cc(C)nc3c2cccc3[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000443442308 868028137 /nfs/dbraw/zinc/02/81/37/868028137.db2.gz CIOOJGZRGQKBJL-IBGZPJMESA-N 1 0 410.474 4.183 20 5 HIBDRO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000443589583 868144605 /nfs/dbraw/zinc/14/46/05/868144605.db2.gz GTABCMJLSWOWPJ-QGZVFWFLSA-N 1 0 424.892 4.095 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)n2)cc1 ZINC000443650334 868242792 /nfs/dbraw/zinc/24/27/92/868242792.db2.gz IJZNVHVQXMKPJG-AWEZNQCLSA-N 1 0 423.404 4.305 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000443945949 868482615 /nfs/dbraw/zinc/48/26/15/868482615.db2.gz KTUDKMKTZWRIHZ-HXUWFJFHSA-N 1 0 412.490 4.179 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000443974709 868503594 /nfs/dbraw/zinc/50/35/94/868503594.db2.gz WCZJJYUPMFDVET-FQEVSTJZSA-N 1 0 414.506 4.425 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444009090 868532656 /nfs/dbraw/zinc/53/26/56/868532656.db2.gz IMWPFLVZPSASRH-FQEVSTJZSA-N 1 0 417.553 4.456 20 5 HIBDRO COc1cccc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444031714 868565866 /nfs/dbraw/zinc/56/58/66/868565866.db2.gz ATYZSNKUOIITOG-IAGOWNOFSA-N 1 0 411.502 4.011 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444102079 868618514 /nfs/dbraw/zinc/61/85/14/868618514.db2.gz DIQYMBAFIJDODG-UHFFFAOYSA-N 1 0 421.516 4.347 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444177339 868650418 /nfs/dbraw/zinc/65/04/18/868650418.db2.gz UZYJEEGTGNGAMF-SJLPKXTDSA-N 1 0 408.458 4.245 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000444663586 868941980 /nfs/dbraw/zinc/94/19/80/868941980.db2.gz YXXYSIDNMYDIOS-ZDUSSCGKSA-N 1 0 417.416 4.327 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000444737331 868983083 /nfs/dbraw/zinc/98/30/83/868983083.db2.gz BNWPGWZCDLJEJJ-ZDUSSCGKSA-N 1 0 406.280 4.345 20 5 HIBDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000444785429 869004290 /nfs/dbraw/zinc/00/42/90/869004290.db2.gz QORFKPLNAOAOTM-MRXNPFEDSA-N 1 0 423.391 4.485 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000444932674 869114458 /nfs/dbraw/zinc/11/44/58/869114458.db2.gz WONNFFRYZLDRDU-QHCPKHFHSA-N 1 0 424.501 4.123 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 ZINC000445175982 869261264 /nfs/dbraw/zinc/26/12/64/869261264.db2.gz UPNFCGFNJZFNLI-UHFFFAOYSA-N 1 0 413.521 4.453 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445177654 869262224 /nfs/dbraw/zinc/26/22/24/869262224.db2.gz CJHROKOATMZOOK-LJQANCHMSA-N 1 0 417.553 4.456 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445185522 869264806 /nfs/dbraw/zinc/26/48/06/869264806.db2.gz QFLKUMQHDUISJN-CALCHBBNSA-N 1 0 405.542 4.168 20 5 HIBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000446001972 869965669 /nfs/dbraw/zinc/96/56/69/869965669.db2.gz CWWFJOYLAFTXMJ-WBVHZDCISA-N 1 0 418.291 4.222 20 5 HIBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000446001969 869965756 /nfs/dbraw/zinc/96/57/56/869965756.db2.gz CWWFJOYLAFTXMJ-DOTOQJQBSA-N 1 0 418.291 4.222 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000446023981 869990832 /nfs/dbraw/zinc/99/08/32/869990832.db2.gz LTJUQSUBIROIDX-UHFFFAOYSA-N 1 0 413.905 4.220 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000446483583 870395839 /nfs/dbraw/zinc/39/58/39/870395839.db2.gz DBPBBKIULUDTRH-KRWDZBQOSA-N 1 0 410.396 4.346 20 5 HIBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1OCC(=O)N(C)C ZINC000447528929 871393966 /nfs/dbraw/zinc/39/39/66/871393966.db2.gz KAQYHPYTRIXFMI-LEWJYISDSA-N 1 0 411.502 4.180 20 5 HIBDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1OC1CCCC1 ZINC000447531645 871395766 /nfs/dbraw/zinc/39/57/66/871395766.db2.gz SBIUZFCZDHUWNU-MOPGFXCFSA-N 1 0 414.506 4.395 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)c3c(c1)OCCO3)CCC2 ZINC000447532442 871397251 /nfs/dbraw/zinc/39/72/51/871397251.db2.gz WCFCZJGNBJVKIR-KRWDZBQOSA-N 1 0 419.275 4.296 20 5 HIBDRO CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000447535285 871400961 /nfs/dbraw/zinc/40/09/61/871400961.db2.gz DZJZHMRBGQKKNR-PDOICOKGSA-N 1 0 403.552 4.009 20 5 HIBDRO COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543789 871412598 /nfs/dbraw/zinc/41/25/98/871412598.db2.gz MIXTXBKCYNROQW-WOJBJXKFSA-N 1 0 423.473 4.261 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)CCC2 ZINC000447561624 871455107 /nfs/dbraw/zinc/45/51/07/871455107.db2.gz IUKXVHKCGICLOL-APWZRJJASA-N 1 0 410.392 4.021 20 5 HIBDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447574265 871473664 /nfs/dbraw/zinc/47/36/64/871473664.db2.gz MEPKFHQWCBJNRK-UXHICEINSA-N 1 0 408.506 4.374 20 5 HIBDRO COc1cc(OC)cc([C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000468510537 882512914 /nfs/dbraw/zinc/51/29/14/882512914.db2.gz GZTJJTUZRAXDBF-KSFYIVLOSA-N 1 0 424.501 4.046 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2csc(CCc3ccccc3)n2)n1 ZINC000447589089 871492495 /nfs/dbraw/zinc/49/24/95/871492495.db2.gz WWHDNKMMKYYAEP-RTBURBONSA-N 1 0 411.531 4.307 20 5 HIBDRO CN1CCO[C@H]([C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000447585993 871493712 /nfs/dbraw/zinc/49/37/12/871493712.db2.gz MDYHRBWYVZQMFA-FDFHNCONSA-N 1 0 415.921 4.287 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C\CNCc1noc(-c2cccc(Br)c2)n1 ZINC000448277971 872200733 /nfs/dbraw/zinc/20/07/33/872200733.db2.gz GWLUTEFOJCKOBN-DAXSKMNVSA-N 1 0 415.247 4.210 20 5 HIBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448443930 872386834 /nfs/dbraw/zinc/38/68/34/872386834.db2.gz APCKJFQKXPPQRN-AVRDEDQJSA-N 1 0 420.513 4.427 20 5 HIBDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000468598643 882694736 /nfs/dbraw/zinc/69/47/36/882694736.db2.gz GXCARSPOLPMLAB-UHFFFAOYSA-N 1 0 417.512 4.289 20 5 HIBDRO CC[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000460497092 873183585 /nfs/dbraw/zinc/18/35/85/873183585.db2.gz RXJFIXLOTQFTNI-GIWBLDEGSA-N 1 0 422.529 4.209 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000468651201 882786829 /nfs/dbraw/zinc/78/68/29/882786829.db2.gz AZVJSJCHLSOSMV-LGMDPLHJSA-N 1 0 402.454 4.435 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000468654443 882789449 /nfs/dbraw/zinc/78/94/49/882789449.db2.gz XTODGXCLZHOKNQ-SFQUDFHCSA-N 1 0 402.454 4.435 20 5 HIBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461438898 874492918 /nfs/dbraw/zinc/49/29/18/874492918.db2.gz NQQPNJHFKCHGIX-FQEVSTJZSA-N 1 0 422.529 4.155 20 5 HIBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461446858 874504046 /nfs/dbraw/zinc/50/40/46/874504046.db2.gz LZOIHUNFIIQECR-GOSISDBHSA-N 1 0 408.502 4.286 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462619825 875731520 /nfs/dbraw/zinc/73/15/20/875731520.db2.gz NZEZLNIFTSHMAD-DBXWQHBBSA-N 1 0 415.559 4.424 20 5 HIBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1=O ZINC000462752665 875818126 /nfs/dbraw/zinc/81/81/26/875818126.db2.gz BJEVTPCUDVZUMJ-UNEWFSDZSA-N 1 0 415.877 4.139 20 5 HIBDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 ZINC000468918397 882978283 /nfs/dbraw/zinc/97/82/83/882978283.db2.gz ICBBKLLFBRJKMN-UHFFFAOYSA-N 1 0 408.526 4.078 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000463060680 876090019 /nfs/dbraw/zinc/09/00/19/876090019.db2.gz AJONMGBFYASQER-SJLPKXTDSA-N 1 0 422.428 4.257 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@](CO)(Cc4ccccc4)C3)o2)c1 ZINC000463448953 876507790 /nfs/dbraw/zinc/50/77/90/876507790.db2.gz INIWTKFXELLFLJ-DEOSSOPVSA-N 1 0 421.497 4.110 20 5 HIBDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000464096084 877253423 /nfs/dbraw/zinc/25/34/23/877253423.db2.gz YCLHKLOSTUKSBW-GOSISDBHSA-N 1 0 406.486 4.214 20 5 HIBDRO CC[NH+](CC)[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464646778 877865920 /nfs/dbraw/zinc/86/59/20/877865920.db2.gz ZEIVSFOAYZPPHX-JOCHJYFZSA-N 1 0 411.502 4.048 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000464733596 877969560 /nfs/dbraw/zinc/96/95/60/877969560.db2.gz JWLSPUXNVSHIPC-IFXJQAMLSA-N 1 0 401.438 4.154 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464766733 878010076 /nfs/dbraw/zinc/01/00/76/878010076.db2.gz DOEQPKPTVONVCD-MRXNPFEDSA-N 1 0 415.515 4.046 20 5 HIBDRO COC(=O)c1cc2cc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)ccc2o1 ZINC000464770630 878013753 /nfs/dbraw/zinc/01/37/53/878013753.db2.gz BSNQEAHPTJWBTH-UHFFFAOYSA-N 1 0 410.426 4.171 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000465184278 878573912 /nfs/dbraw/zinc/57/39/12/878573912.db2.gz KFXZPHPBNQECQA-AWEZNQCLSA-N 1 0 403.866 4.221 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000465190089 878583959 /nfs/dbraw/zinc/58/39/59/878583959.db2.gz GSVLVMUTNYKBAU-HNNXBMFYSA-N 1 0 417.893 4.150 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503411834 912393856 /nfs/dbraw/zinc/39/38/56/912393856.db2.gz QWQYTFNJWAYPDQ-NVXWUHKLSA-N 1 0 422.489 4.118 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503411835 912395286 /nfs/dbraw/zinc/39/52/86/912395286.db2.gz QWQYTFNJWAYPDQ-RDJZCZTQSA-N 1 0 422.489 4.118 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H]2CCCC23CCOCC3)cc1OC ZINC000503431786 912430990 /nfs/dbraw/zinc/43/09/90/912430990.db2.gz GKHVVCRVEBXPLI-IERDGZPVSA-N 1 0 406.523 4.467 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000469283710 883380913 /nfs/dbraw/zinc/38/09/13/883380913.db2.gz YDDYRMUDJGMXMG-LIRRHRJNSA-N 1 0 403.429 4.023 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000469491958 883730471 /nfs/dbraw/zinc/73/04/71/883730471.db2.gz MQKZPYGLAKFABK-UHFFFAOYSA-N 1 0 415.559 4.377 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(C(F)(F)F)c1 ZINC000469509123 883762430 /nfs/dbraw/zinc/76/24/30/883762430.db2.gz UNQDURYEOFYCRZ-MRXNPFEDSA-N 1 0 421.375 4.393 20 5 HIBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@H]1C ZINC000470155584 884428641 /nfs/dbraw/zinc/42/86/41/884428641.db2.gz ZOGUFBAYVIXXMV-SMDDNHRTSA-N 1 0 423.263 4.001 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470293953 884667745 /nfs/dbraw/zinc/66/77/45/884667745.db2.gz WVQGIWDZLIYHMD-GOSISDBHSA-N 1 0 424.423 4.058 20 5 HIBDRO COc1cc(C[NH2+]CC[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000503935560 912871434 /nfs/dbraw/zinc/87/14/34/912871434.db2.gz GNPTUOMFDLDBRV-LJQANCHMSA-N 1 0 400.475 4.231 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000470643966 885067757 /nfs/dbraw/zinc/06/77/57/885067757.db2.gz LDVRKVINEBKBOS-UHFFFAOYSA-N 1 0 401.488 4.387 20 5 HIBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000470671610 885101343 /nfs/dbraw/zinc/10/13/43/885101343.db2.gz ZOBVYAPQLMNRTD-UHFFFAOYSA-N 1 0 422.576 4.315 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cccc(C(F)F)c4)CC3)nc2c1 ZINC000470776236 885244631 /nfs/dbraw/zinc/24/46/31/885244631.db2.gz GFMCVWDZBRYLPB-UHFFFAOYSA-N 1 0 401.417 4.121 20 5 HIBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC[N@@H+]2C2CC2)c1 ZINC000471926461 886716302 /nfs/dbraw/zinc/71/63/02/886716302.db2.gz DGWHQYHCXJZXHT-LEWJYISDSA-N 1 0 410.474 4.011 20 5 HIBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473503259 888229837 /nfs/dbraw/zinc/22/98/37/888229837.db2.gz MMSBTVUKNDZHGU-XMMPIXPASA-N 1 0 418.497 4.204 20 5 HIBDRO CC(C)c1ccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000473525390 888262424 /nfs/dbraw/zinc/26/24/24/888262424.db2.gz WOIWILUHTAYQSU-UHFFFAOYSA-N 1 0 413.440 4.253 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000473555519 888294538 /nfs/dbraw/zinc/29/45/38/888294538.db2.gz UOMIQDVTZOJNTK-UHFFFAOYSA-N 1 0 414.531 4.245 20 5 HIBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000473691597 888466371 /nfs/dbraw/zinc/46/63/71/888466371.db2.gz NNKDNDCHFLYGSI-INIZCTEOSA-N 1 0 401.532 4.422 20 5 HIBDRO COc1ccc(CC2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000504483008 913276585 /nfs/dbraw/zinc/27/65/85/913276585.db2.gz JTRDNHUFSDXNKD-UHFFFAOYSA-N 1 0 411.502 4.195 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000473989084 888850215 /nfs/dbraw/zinc/85/02/15/888850215.db2.gz OEMNYTANOCDCDW-LJQANCHMSA-N 1 0 414.433 4.011 20 5 HIBDRO COc1ccc(OC)c(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C)c1 ZINC000474161222 888998972 /nfs/dbraw/zinc/99/89/72/888998972.db2.gz XJSXRSFJOSMEHA-UHFFFAOYSA-N 1 0 415.490 4.160 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000475207790 890077033 /nfs/dbraw/zinc/07/70/33/890077033.db2.gz BIRNZFHQGGVLAW-QAPCUYQASA-N 1 0 421.339 4.335 20 5 HIBDRO Cn1cc(C[NH2+]CC2CCN(c3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475293824 890200635 /nfs/dbraw/zinc/20/06/35/890200635.db2.gz LCNGNZHQCXMMLT-UHFFFAOYSA-N 1 0 405.502 4.002 20 5 HIBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000475328325 890247571 /nfs/dbraw/zinc/24/75/71/890247571.db2.gz IFEFINFABJQGJZ-SFHVURJKSA-N 1 0 409.280 4.354 20 5 HIBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000475429688 890350368 /nfs/dbraw/zinc/35/03/68/890350368.db2.gz ODOAAXJOIODKFT-LJQANCHMSA-N 1 0 413.543 4.403 20 5 HIBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000475446965 890364046 /nfs/dbraw/zinc/36/40/46/890364046.db2.gz SFPZNOCYYNNJEQ-KRWDZBQOSA-N 1 0 417.893 4.389 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000477200215 892127350 /nfs/dbraw/zinc/12/73/50/892127350.db2.gz WPYSUDDKTFKQRZ-UHFFFAOYSA-N 1 0 405.857 4.044 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000477202282 892130722 /nfs/dbraw/zinc/13/07/22/892130722.db2.gz LTVZCKSORHSBGI-GOSISDBHSA-N 1 0 403.910 4.240 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000477374654 892336332 /nfs/dbraw/zinc/33/63/32/892336332.db2.gz NUCCAEORRCGAPS-UHFFFAOYSA-N 1 0 400.866 4.325 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000477378597 892340026 /nfs/dbraw/zinc/34/00/26/892340026.db2.gz OCPSNPWRWNTVGX-QGZVFWFLSA-N 1 0 401.894 4.151 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504918275 913653709 /nfs/dbraw/zinc/65/37/09/913653709.db2.gz GCFRWQLPZNDSLK-GCJKJVERSA-N 1 0 413.518 4.026 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000477434272 892385901 /nfs/dbraw/zinc/38/59/01/892385901.db2.gz ACILNTWTGYVMDS-UHFFFAOYSA-N 1 0 418.291 4.273 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000477923260 893010696 /nfs/dbraw/zinc/01/06/96/893010696.db2.gz OFUVAIVSMWLBMN-HXOBKFHXSA-N 1 0 412.436 4.403 20 5 HIBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000478265138 893454293 /nfs/dbraw/zinc/45/42/93/893454293.db2.gz ZLNZPWUUBGHIPP-FQEVSTJZSA-N 1 0 416.909 4.004 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 ZINC000479892942 895238812 /nfs/dbraw/zinc/23/88/12/895238812.db2.gz OVTPBJIQSWMDGX-ZDUSSCGKSA-N 1 0 408.271 4.113 20 5 HIBDRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc([N+](=O)[O-])c1C ZINC000479909630 895257063 /nfs/dbraw/zinc/25/70/63/895257063.db2.gz HHGWEGHAEWTZMD-UHFFFAOYSA-N 1 0 415.515 4.021 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C(C)C)C(C)(C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000480449247 895838107 /nfs/dbraw/zinc/83/81/07/895838107.db2.gz XTAUALBMRVOANX-NRFANRHFSA-N 1 0 402.491 4.068 20 5 HIBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(OC(F)F)c1 ZINC000480551328 895911827 /nfs/dbraw/zinc/91/18/27/895911827.db2.gz KHTZGHRJTVCFLZ-UHFFFAOYSA-N 1 0 409.355 4.413 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000480562788 895923460 /nfs/dbraw/zinc/92/34/60/895923460.db2.gz YRPVZNJODRAIIS-UHFFFAOYSA-N 1 0 412.334 4.226 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481176889 896512246 /nfs/dbraw/zinc/51/22/46/896512246.db2.gz OYFKIXRSDKKHIP-HTAPYJJXSA-N 1 0 406.486 4.250 20 5 HIBDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481209490 896562174 /nfs/dbraw/zinc/56/21/74/896562174.db2.gz ZBUJAXDWMKJBJY-XGHQBKJUSA-N 1 0 421.501 4.206 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481308844 896654683 /nfs/dbraw/zinc/65/46/83/896654683.db2.gz BUOBCELRQWSIRL-HZPDHXFCSA-N 1 0 409.515 4.433 20 5 HIBDRO CC(C)C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCc2cccnc21 ZINC000481413424 896818368 /nfs/dbraw/zinc/81/83/68/896818368.db2.gz KSDVVBIKLUALKQ-LJQANCHMSA-N 1 0 424.501 4.323 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000481476707 896863008 /nfs/dbraw/zinc/86/30/08/896863008.db2.gz ARVWZBCOQVMFCK-XOBRGWDASA-N 1 0 405.882 4.251 20 5 HIBDRO CC[NH+](CC)[C@H](C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000481588806 896968799 /nfs/dbraw/zinc/96/87/99/896968799.db2.gz PLMMJVOPBAHNDP-QRWLVFNGSA-N 1 0 418.925 4.248 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000481658753 897043024 /nfs/dbraw/zinc/04/30/24/897043024.db2.gz MPGMXWYWKQOKNZ-INIZCTEOSA-N 1 0 413.543 4.479 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481756000 897146046 /nfs/dbraw/zinc/14/60/46/897146046.db2.gz MDJXVHNBIMRRRE-UHFFFAOYSA-N 1 0 415.877 4.375 20 5 HIBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481850221 897217233 /nfs/dbraw/zinc/21/72/33/897217233.db2.gz VEJVJNSRMUENRA-YLJYHZDGSA-N 1 0 413.905 4.375 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000481952326 897341403 /nfs/dbraw/zinc/34/14/03/897341403.db2.gz UCNHGQKIYBUQEY-KKSFZXQISA-N 1 0 403.910 4.281 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000481983366 897377189 /nfs/dbraw/zinc/37/71/89/897377189.db2.gz KTUJQHXOSGIZJS-ICSRJNTNSA-N 1 0 408.502 4.076 20 5 HIBDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482007753 897405230 /nfs/dbraw/zinc/40/52/30/897405230.db2.gz KISKPKVYVOGRQU-IBGZPJMESA-N 1 0 401.894 4.496 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000482038792 897454345 /nfs/dbraw/zinc/45/43/45/897454345.db2.gz ZRUGHSYGQGOHLL-CQSZACIVSA-N 1 0 420.307 4.136 20 5 HIBDRO CCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCc2sccc2C1 ZINC000482246823 897729454 /nfs/dbraw/zinc/72/94/54/897729454.db2.gz LFPUXBZVEOOISR-QAPCUYQASA-N 1 0 401.532 4.369 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000505501946 914190081 /nfs/dbraw/zinc/19/00/81/914190081.db2.gz AWBKAGJVXDUYIP-IBGZPJMESA-N 1 0 417.531 4.138 20 5 HIBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000482508951 898091951 /nfs/dbraw/zinc/09/19/51/898091951.db2.gz UBFYOQNDMVHKRA-UHFFFAOYSA-N 1 0 410.426 4.039 20 5 HIBDRO C[C@@H](NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709889 898309942 /nfs/dbraw/zinc/30/99/42/898309942.db2.gz UOFSKMJVGTZUHO-SJORKVTESA-N 1 0 403.548 4.067 20 5 HIBDRO COc1cccc([C@H]2[C@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000482826603 898435078 /nfs/dbraw/zinc/43/50/78/898435078.db2.gz PIBNXZBOFCSMIL-OFNKIYASSA-N 1 0 423.513 4.236 20 5 HIBDRO CC1(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000483374255 899010754 /nfs/dbraw/zinc/01/07/54/899010754.db2.gz HKGFREODLAIXBJ-UHFFFAOYSA-N 1 0 415.921 4.209 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483586351 899236858 /nfs/dbraw/zinc/23/68/58/899236858.db2.gz WDQVXCCALVLSQG-DYESRHJHSA-N 1 0 413.905 4.375 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000483682937 899342068 /nfs/dbraw/zinc/34/20/68/899342068.db2.gz MSOPGEPRCQCNDW-QHCPKHFHSA-N 1 0 422.529 4.179 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483740983 899403342 /nfs/dbraw/zinc/40/33/42/899403342.db2.gz IVPDHULRMUNKOE-CVEARBPZSA-N 1 0 411.531 4.376 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484945794 900314483 /nfs/dbraw/zinc/31/44/83/900314483.db2.gz CXJFIJCVKAMHQO-QZTJIDSGSA-N 1 0 413.905 4.151 20 5 HIBDRO CC(C)(C)Oc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000485048847 900381677 /nfs/dbraw/zinc/38/16/77/900381677.db2.gz KKUXOOJCMKDQFD-UHFFFAOYSA-N 1 0 413.518 4.410 20 5 HIBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000485513305 900798888 /nfs/dbraw/zinc/79/88/88/900798888.db2.gz AMAPAPYYWBVZCG-FQEVSTJZSA-N 1 0 423.513 4.264 20 5 HIBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485716790 900965843 /nfs/dbraw/zinc/96/58/43/900965843.db2.gz FEPLUGAPCGFCIK-FQEVSTJZSA-N 1 0 423.513 4.168 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485814921 901062641 /nfs/dbraw/zinc/06/26/41/901062641.db2.gz MJWOBRUKPTYOKX-UHFFFAOYSA-N 1 0 409.408 4.338 20 5 HIBDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978122 901194922 /nfs/dbraw/zinc/19/49/22/901194922.db2.gz VOCDUOFXMULUFX-SJKOYZFVSA-N 1 0 407.392 4.296 20 5 HIBDRO CSc1cccc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)c1[N+](=O)[O-] ZINC000486234923 901417483 /nfs/dbraw/zinc/41/74/83/901417483.db2.gz XKSHQFSPGZFIRO-UHFFFAOYSA-N 1 0 415.515 4.352 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000505924350 914573110 /nfs/dbraw/zinc/57/31/10/914573110.db2.gz FSIPWAIQSVEINB-YESZJQIVSA-N 1 0 423.941 4.129 20 5 HIBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000487416574 902198882 /nfs/dbraw/zinc/19/88/82/902198882.db2.gz JNETWVRWHZQQBG-UHFFFAOYSA-N 1 0 413.499 4.070 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487810588 902379506 /nfs/dbraw/zinc/37/95/06/902379506.db2.gz RWFLRDLVWYKGEH-ZWKOTPCHSA-N 1 0 405.564 4.190 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1SC ZINC000487922457 902453879 /nfs/dbraw/zinc/45/38/79/902453879.db2.gz WPYLYTYAPPLLKN-MRXNPFEDSA-N 1 0 421.563 4.054 20 5 HIBDRO COc1ccc(C[N@@H+]2CCSC[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000488398103 902807310 /nfs/dbraw/zinc/80/73/10/902807310.db2.gz PDEGRGNDWMKSOI-MRXNPFEDSA-N 1 0 402.516 4.367 20 5 HIBDRO CC(C)(NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1[N+](=O)[O-] ZINC000488482511 902848842 /nfs/dbraw/zinc/84/88/42/902848842.db2.gz HOMJQAAMVLPOJG-UHFFFAOYSA-N 1 0 416.547 4.103 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488498710 902856020 /nfs/dbraw/zinc/85/60/20/902856020.db2.gz MRVIBIAYNXYYGY-LLGFUMIMSA-N 1 0 413.543 4.102 20 5 HIBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000489084473 903186152 /nfs/dbraw/zinc/18/61/52/903186152.db2.gz UESWUPNMWBUDKS-HXOBKFHXSA-N 1 0 408.502 4.334 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000489530488 903441787 /nfs/dbraw/zinc/44/17/87/903441787.db2.gz DNVFGPYHDLVNFN-HKUYNNGSSA-N 1 0 410.518 4.182 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)c2C1 ZINC000489647528 903513178 /nfs/dbraw/zinc/51/31/78/903513178.db2.gz KFLUKWXEASLZNV-UHFFFAOYSA-N 1 0 405.401 4.420 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000489982114 903710834 /nfs/dbraw/zinc/71/08/34/903710834.db2.gz NCBVUXUIHNFARL-GOSISDBHSA-N 1 0 413.543 4.301 20 5 HIBDRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013313 903724326 /nfs/dbraw/zinc/72/43/26/903724326.db2.gz LTKBDVDEQJISOQ-DLBZAZTESA-N 1 0 418.563 4.336 20 5 HIBDRO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490788236 904234252 /nfs/dbraw/zinc/23/42/52/904234252.db2.gz BANFROMMZOIWPK-GDBMZVCRSA-N 1 0 421.419 4.254 20 5 HIBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 ZINC000490791187 904237746 /nfs/dbraw/zinc/23/77/46/904237746.db2.gz CFWFBSVSKHCHIJ-UHFFFAOYSA-N 1 0 408.483 4.455 20 5 HIBDRO C[C@@H](OC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830265 904274079 /nfs/dbraw/zinc/27/40/79/904274079.db2.gz WNSNEIVCVFASNW-QVKFZJNVSA-N 1 0 404.894 4.351 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000491026268 904377962 /nfs/dbraw/zinc/37/79/62/904377962.db2.gz GSINYWPERVFZLA-LJQANCHMSA-N 1 0 410.518 4.011 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491227735 904490303 /nfs/dbraw/zinc/49/03/03/904490303.db2.gz HYMOSBNABHNGSA-AWEZNQCLSA-N 1 0 410.392 4.376 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960267 904968064 /nfs/dbraw/zinc/96/80/64/904968064.db2.gz LUYQVWKJJAEBDR-OALUTQOASA-N 1 0 410.518 4.270 20 5 HIBDRO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)ccc1OCc1ccncc1 ZINC000493005798 904982654 /nfs/dbraw/zinc/98/26/54/904982654.db2.gz AGXLSQNREMDTQD-INIZCTEOSA-N 1 0 423.469 4.437 20 5 HIBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@H]2C1 ZINC000493560479 905162763 /nfs/dbraw/zinc/16/27/63/905162763.db2.gz XCTFUEFPRNWACT-LIRRHRJNSA-N 1 0 415.877 4.207 20 5 HIBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000493579607 905168752 /nfs/dbraw/zinc/16/87/52/905168752.db2.gz OVUSTYWYVHVGLO-UHFFFAOYSA-N 1 0 405.907 4.225 20 5 HIBDRO CCS[C@H]1CCC[C@@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000493625308 905174925 /nfs/dbraw/zinc/17/49/25/905174925.db2.gz PJDIOXBRLGQERY-KGLIPLIRSA-N 1 0 404.479 4.401 20 5 HIBDRO CCS[C@H]1CCC[C@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000493625307 905175302 /nfs/dbraw/zinc/17/53/02/905175302.db2.gz PJDIOXBRLGQERY-KBPBESRZSA-N 1 0 404.479 4.401 20 5 HIBDRO C[C@]1(CO)CCC[C@@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000493653156 905181578 /nfs/dbraw/zinc/18/15/78/905181578.db2.gz GSBZEAFIAPZGMX-IRFCIJBXSA-N 1 0 417.893 4.069 20 5 HIBDRO C[C@]1(CO)CCC[C@@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000493653161 905182788 /nfs/dbraw/zinc/18/27/88/905182788.db2.gz GSBZEAFIAPZGMX-QKNQBKEWSA-N 1 0 417.893 4.069 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000493875563 905238079 /nfs/dbraw/zinc/23/80/79/905238079.db2.gz QOTKPIRGWDEEFO-HNNXBMFYSA-N 1 0 419.407 4.078 20 5 HIBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@H]21 ZINC000493928083 905280259 /nfs/dbraw/zinc/28/02/59/905280259.db2.gz QNDZPCQNWGMQTN-OXJNMPFZSA-N 1 0 411.527 4.302 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494487462 905770175 /nfs/dbraw/zinc/77/01/75/905770175.db2.gz WTLJKWQYWPZSMO-PXNSSMCTSA-N 1 0 421.856 4.144 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494492774 905778599 /nfs/dbraw/zinc/77/85/99/905778599.db2.gz MFURASJJRLCNIN-WILYLXEWSA-N 1 0 421.856 4.143 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494493583 905779364 /nfs/dbraw/zinc/77/93/64/905779364.db2.gz JEUMAANEDADRDW-IXDGSTSKSA-N 1 0 403.866 4.003 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494653040 905885248 /nfs/dbraw/zinc/88/52/48/905885248.db2.gz ZBDLMVMRRVSNBI-YJYMSZOUSA-N 1 0 416.465 4.178 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000495173554 906286579 /nfs/dbraw/zinc/28/65/79/906286579.db2.gz KNVLQGBOVCNDPQ-HTAPYJJXSA-N 1 0 406.486 4.088 20 5 HIBDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)ncn1 ZINC000495272763 906352184 /nfs/dbraw/zinc/35/21/84/906352184.db2.gz PFUAVDSRGDQREJ-QGZVFWFLSA-N 1 0 423.542 4.434 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)CSc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000512570921 921243261 /nfs/dbraw/zinc/24/32/61/921243261.db2.gz XDORDNOUNANDOU-IEBWSBKVSA-N 1 0 413.543 4.104 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497093076 906803728 /nfs/dbraw/zinc/80/37/28/906803728.db2.gz ALUUMPVMWKUAQE-CTNGQTDRSA-N 1 0 414.502 4.165 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000497636527 907120155 /nfs/dbraw/zinc/12/01/55/907120155.db2.gz DPSGWGLEKBSDNR-IBGZPJMESA-N 1 0 401.894 4.451 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000498040381 907545895 /nfs/dbraw/zinc/54/58/95/907545895.db2.gz VXIQADKBDAQGMT-GOSISDBHSA-N 1 0 405.882 4.070 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)ccc1Oc1ccc(F)cc1 ZINC000512840438 921342789 /nfs/dbraw/zinc/34/27/89/921342789.db2.gz NQPYDALCPLNPRQ-GOSISDBHSA-N 1 0 423.448 4.075 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498336688 907845960 /nfs/dbraw/zinc/84/59/60/907845960.db2.gz XKPKLABANVULSM-LJQANCHMSA-N 1 0 418.497 4.127 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000498472577 907941485 /nfs/dbraw/zinc/94/14/85/907941485.db2.gz LCWRKPIWTNRSGS-IRXDYDNUSA-N 1 0 422.957 4.087 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000498472574 907941944 /nfs/dbraw/zinc/94/19/44/907941944.db2.gz LCWRKPIWTNRSGS-IAGOWNOFSA-N 1 0 422.957 4.087 20 5 HIBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000498559363 908019294 /nfs/dbraw/zinc/01/92/94/908019294.db2.gz IIMQDAQTGNBJAN-PZJWPPBQSA-N 1 0 410.474 4.011 20 5 HIBDRO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706351 908130887 /nfs/dbraw/zinc/13/08/87/908130887.db2.gz FYDMYFSQXNWOMZ-RXVVDRJESA-N 1 0 422.529 4.179 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H](C)C3(S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000512889826 921383329 /nfs/dbraw/zinc/38/33/29/921383329.db2.gz HMSRAFRKDWMYKG-HNNXBMFYSA-N 1 0 420.556 4.110 20 5 HIBDRO C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498718734 908143348 /nfs/dbraw/zinc/14/33/48/908143348.db2.gz TXMAFJRBSJGGKI-UYAOXDASSA-N 1 0 422.529 4.179 20 5 HIBDRO CC1CCN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000500409746 909840886 /nfs/dbraw/zinc/84/08/86/909840886.db2.gz HZXRTSBODNRWBH-UHFFFAOYSA-N 1 0 424.545 4.035 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000500566375 909932891 /nfs/dbraw/zinc/93/28/91/909932891.db2.gz ZMZAXRATJLFLIK-GOSISDBHSA-N 1 0 423.435 4.310 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501013231 910233203 /nfs/dbraw/zinc/23/32/03/910233203.db2.gz YMCLUYUMMBAMJA-AWEZNQCLSA-N 1 0 412.421 4.083 20 5 HIBDRO COC(=O)C[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1 ZINC000513129583 921574190 /nfs/dbraw/zinc/57/41/90/921574190.db2.gz ZOYFJTFEHWJYCU-LJQANCHMSA-N 1 0 421.291 4.234 20 5 HIBDRO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000501607167 910711393 /nfs/dbraw/zinc/71/13/93/910711393.db2.gz ZNZPXDLNMVLIQB-FQEVSTJZSA-N 1 0 421.419 4.398 20 5 HIBDRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC=Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000501717317 910785721 /nfs/dbraw/zinc/78/57/21/910785721.db2.gz UHFFTQNFYMZLFZ-CEQQRPIWSA-N 1 0 423.517 4.339 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000502314275 911283049 /nfs/dbraw/zinc/28/30/49/911283049.db2.gz DMKLAVSBOJODPB-UHFFFAOYSA-N 1 0 424.339 4.130 20 5 HIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329054 911306554 /nfs/dbraw/zinc/30/65/54/911306554.db2.gz DBFGPZHRAHTOBE-QAPCUYQASA-N 1 0 411.506 4.387 20 5 HIBDRO CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502939345 911925190 /nfs/dbraw/zinc/92/51/90/911925190.db2.gz LSIJNYVHNXJULV-MRXNPFEDSA-N 1 0 423.473 4.274 20 5 HIBDRO COc1ccc(-c2ccc(C[NH+]3CCC(C)(c4nc(C)no4)CC3)o2)c([N+](=O)[O-])c1 ZINC000513366922 921741730 /nfs/dbraw/zinc/74/17/30/921741730.db2.gz WECPXKPKZDWGFF-UHFFFAOYSA-N 1 0 412.446 4.109 20 5 HIBDRO Cn1cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506663512 915339484 /nfs/dbraw/zinc/33/94/84/915339484.db2.gz RZMNWKIAAJAIKA-UHFFFAOYSA-N 1 0 416.485 4.251 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513434851 921804072 /nfs/dbraw/zinc/80/40/72/921804072.db2.gz NHRUUXOIHJVUNK-LJQANCHMSA-N 1 0 406.442 4.061 20 5 HIBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507266687 916029996 /nfs/dbraw/zinc/02/99/96/916029996.db2.gz KDQQTNOLQJYBFM-AKCHCHLHSA-N 1 0 417.893 4.190 20 5 HIBDRO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000507305596 916068105 /nfs/dbraw/zinc/06/81/05/916068105.db2.gz OPEFZVVYOYMVOI-UHFFFAOYSA-N 1 0 418.291 4.208 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507635956 916395019 /nfs/dbraw/zinc/39/50/19/916395019.db2.gz MRYNPHKLELUWCU-UHFFFAOYSA-N 1 0 421.501 4.187 20 5 HIBDRO C[NH+](C)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000508024958 916860856 /nfs/dbraw/zinc/86/08/56/916860856.db2.gz IDRZAHUPGMMIMJ-UHFFFAOYSA-N 1 0 408.296 4.143 20 5 HIBDRO COc1cc(C[NH2+]CCN2CCC[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508099005 916914821 /nfs/dbraw/zinc/91/48/21/916914821.db2.gz CUOVJCKQPFHHPW-GOSISDBHSA-N 1 0 413.518 4.004 20 5 HIBDRO COc1ccc(C[NH2+]CCN2CCC[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508105521 916920964 /nfs/dbraw/zinc/92/09/64/916920964.db2.gz URGLWYZJSBPGDD-SFHVURJKSA-N 1 0 413.518 4.004 20 5 HIBDRO COc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000508249398 917068045 /nfs/dbraw/zinc/06/80/45/917068045.db2.gz QLYKXOURPAGZJS-HNNXBMFYSA-N 1 0 403.454 4.054 20 5 HIBDRO COc1ccc(CNc2[nH+]ccn2Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000508490354 917274059 /nfs/dbraw/zinc/27/40/59/917274059.db2.gz RXXBAIPQWOIDOM-UHFFFAOYSA-N 1 0 417.263 4.223 20 5 HIBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000508648622 917413888 /nfs/dbraw/zinc/41/38/88/917413888.db2.gz DUHSOYDRRWTGNS-UKRRQHHQSA-N 1 0 403.866 4.126 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000509763169 918377165 /nfs/dbraw/zinc/37/71/65/918377165.db2.gz QISNAHJCHUEFRH-WIYYLYMNSA-N 1 0 410.518 4.350 20 5 HIBDRO Cc1c(Br)cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000509854169 918456557 /nfs/dbraw/zinc/45/65/57/918456557.db2.gz NPFRJCYDOZVFFI-UHFFFAOYSA-N 1 0 406.280 4.022 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000510099611 918663406 /nfs/dbraw/zinc/66/34/06/918663406.db2.gz PFADXKOOIOZQLZ-FUHWJXTLSA-N 1 0 413.543 4.347 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1SC ZINC000510539937 918985579 /nfs/dbraw/zinc/98/55/79/918985579.db2.gz OFTFCQZJZWOXAP-VBKZILBWSA-N 1 0 417.531 4.055 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510976117 919524279 /nfs/dbraw/zinc/52/42/79/919524279.db2.gz FDWBOIDTNOUJJN-PGRDOPGGSA-N 1 0 424.545 4.202 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000510985582 919538610 /nfs/dbraw/zinc/53/86/10/919538610.db2.gz MSTNMSJPXISNLB-WMZOPIPTSA-N 1 0 414.531 4.362 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+]1CCCCC1 ZINC000511206655 919818064 /nfs/dbraw/zinc/81/80/64/919818064.db2.gz ORPDKDRUIUTRDY-HXUWFJFHSA-N 1 0 412.490 4.261 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+]1CCCCC1 ZINC000511290125 919887009 /nfs/dbraw/zinc/88/70/09/919887009.db2.gz XVPSPBQGKSXILC-FQEVSTJZSA-N 1 0 412.490 4.261 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1Cl ZINC000511547467 920175082 /nfs/dbraw/zinc/17/50/82/920175082.db2.gz OTXQLFWCMPWCJQ-SFHVURJKSA-N 1 0 405.882 4.070 20 5 HIBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000511630295 920291301 /nfs/dbraw/zinc/29/13/01/920291301.db2.gz YGUYVHJKDYIENV-UHFFFAOYSA-N 1 0 403.482 4.199 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)co2)cc1 ZINC000511781440 920472375 /nfs/dbraw/zinc/47/23/75/920472375.db2.gz NTKJFRUTKVJWSH-VSKRKVRLSA-N 1 0 405.454 4.254 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511894137 920629643 /nfs/dbraw/zinc/62/96/43/920629643.db2.gz QUASWZSVDADPNN-AQNXPRMDSA-N 1 0 407.470 4.161 20 5 HIBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000511903529 920642041 /nfs/dbraw/zinc/64/20/41/920642041.db2.gz QVZRBAUIOOMBMO-OAQYLSRUSA-N 1 0 410.518 4.003 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCC1CCOCC1)c1ccccc1 ZINC000512232633 920986002 /nfs/dbraw/zinc/98/60/02/920986002.db2.gz CVOANMKOTLFWFO-HXUWFJFHSA-N 1 0 417.893 4.334 20 5 HIBDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000512337880 921083920 /nfs/dbraw/zinc/08/39/20/921083920.db2.gz JTRQBXNGKQEJSU-CQSZACIVSA-N 1 0 408.401 4.203 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000512359083 921101659 /nfs/dbraw/zinc/10/16/59/921101659.db2.gz AQCGNCFPPPHIHT-NZQKXSOJSA-N 1 0 404.470 4.378 20 5 HIBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513448739 921815757 /nfs/dbraw/zinc/81/57/57/921815757.db2.gz VJFYVKQCWIZPMD-UHFFFAOYSA-N 1 0 405.445 4.293 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513857659 922184991 /nfs/dbraw/zinc/18/49/91/922184991.db2.gz OJYDTNURXHKPPF-BRKWEVRTSA-N 1 0 421.497 4.130 20 5 HIBDRO CCC1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000514027516 922350784 /nfs/dbraw/zinc/35/07/84/922350784.db2.gz SRXQTHJEORQEFM-UHFFFAOYSA-N 1 0 424.545 4.429 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514075278 922397991 /nfs/dbraw/zinc/39/79/91/922397991.db2.gz CMYDTLHURLGADH-PTUXOGIPSA-N 1 0 424.497 4.230 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000514103591 922432420 /nfs/dbraw/zinc/43/24/20/922432420.db2.gz CSFCSJZDYHCAPA-QFIPXVFZSA-N 1 0 407.518 4.049 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000514617372 922723474 /nfs/dbraw/zinc/72/34/74/922723474.db2.gz KETKWRHYDGOPDV-UHFFFAOYSA-N 1 0 423.282 4.378 20 5 HIBDRO CC(C)(CO)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccs1 ZINC000514634570 922736970 /nfs/dbraw/zinc/73/69/70/922736970.db2.gz APONYIVYPUJLLW-IBGZPJMESA-N 1 0 401.488 4.203 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]CC1(c2ccccc2)CCCCC1 ZINC000515191284 922982384 /nfs/dbraw/zinc/98/23/84/922982384.db2.gz RLWCPKUHHIBBHB-QGZVFWFLSA-N 1 0 411.502 4.422 20 5 HIBDRO CC1CC[NH+](CCCCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000515427258 923094768 /nfs/dbraw/zinc/09/47/68/923094768.db2.gz WQHLUUKTKNGBBB-IBGZPJMESA-N 1 0 416.566 4.073 20 5 HIBDRO CSc1cccc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000516883683 923923809 /nfs/dbraw/zinc/92/38/09/923923809.db2.gz GPGCLUZKMSFWSI-QFIPXVFZSA-N 1 0 411.527 4.055 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]([NH+]4CCCCC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000517393084 924153235 /nfs/dbraw/zinc/15/32/35/924153235.db2.gz HSBWEDLAIOEGMC-FQEVSTJZSA-N 1 0 408.502 4.220 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000517454719 924200834 /nfs/dbraw/zinc/20/08/34/924200834.db2.gz GKDRENDVJYKMEB-AWEZNQCLSA-N 1 0 419.934 4.471 20 5 HIBDRO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000517500338 924231453 /nfs/dbraw/zinc/23/14/53/924231453.db2.gz PBOWNWUVLQYPAH-GCJKJVERSA-N 1 0 410.518 4.428 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3nccs3)o2)c(Br)c1 ZINC000517545879 924256867 /nfs/dbraw/zinc/25/68/67/924256867.db2.gz FMJHPTIBUGRDPF-UHFFFAOYSA-N 1 0 408.277 4.406 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2Cc3ccccc3O2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518273386 927130806 /nfs/dbraw/zinc/13/08/06/927130806.db2.gz TXSHRUXYVKXYHX-OAQYLSRUSA-N 1 0 420.465 4.276 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000518450764 927282237 /nfs/dbraw/zinc/28/22/37/927282237.db2.gz UBJYYGLIIUOUDM-INIZCTEOSA-N 1 0 405.445 4.026 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)s1 ZINC000518750043 927474033 /nfs/dbraw/zinc/47/40/33/927474033.db2.gz DGPAOJBAEYGYSB-JOCHJYFZSA-N 1 0 423.538 4.486 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H](C)N1CCOCC1 ZINC000518772812 927486208 /nfs/dbraw/zinc/48/62/08/927486208.db2.gz FVKLCOXJUUZZGB-CVEARBPZSA-N 1 0 419.909 4.239 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000518864871 927571413 /nfs/dbraw/zinc/57/14/13/927571413.db2.gz BOSUKONUHNXCJD-AQNXPRMDSA-N 1 0 417.553 4.019 20 5 HIBDRO CCN1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000519753839 928065992 /nfs/dbraw/zinc/06/59/92/928065992.db2.gz JLHSEEJOVPROIX-CZUORRHYSA-N 1 0 423.420 4.264 20 5 HIBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000520110102 928317517 /nfs/dbraw/zinc/31/75/17/928317517.db2.gz LUFVELPJSCADLB-GOSISDBHSA-N 1 0 424.545 4.213 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCn3c(C)nc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000520208819 928389294 /nfs/dbraw/zinc/38/92/94/928389294.db2.gz OMQXFUPGULGXOG-UHFFFAOYSA-N 1 0 406.442 4.311 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])cc1 ZINC000521294978 929108021 /nfs/dbraw/zinc/10/80/21/929108021.db2.gz OTQCXPZVJUHPBR-MRXNPFEDSA-N 1 0 411.527 4.269 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000524865288 929863874 /nfs/dbraw/zinc/86/38/74/929863874.db2.gz OEEGZMATYUWPRL-ROUUACIJSA-N 1 0 413.543 4.198 20 5 HIBDRO COc1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000525273825 930124238 /nfs/dbraw/zinc/12/42/38/930124238.db2.gz XSQATBWQJBSWJJ-OAHLLOKOSA-N 1 0 400.422 4.128 20 5 HIBDRO COc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1OC(F)F ZINC000525283570 930130514 /nfs/dbraw/zinc/13/05/14/930130514.db2.gz CUPUIYZIYVMRST-UHFFFAOYSA-N 1 0 408.401 4.248 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354440 930192503 /nfs/dbraw/zinc/19/25/03/930192503.db2.gz JJUQNHCPMRFSNI-GHTZIAJQSA-N 1 0 410.518 4.052 20 5 HIBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000525358285 930194542 /nfs/dbraw/zinc/19/45/42/930194542.db2.gz JRNFIYQYSZMYFQ-FXAWDEMLSA-N 1 0 410.518 4.465 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000525760800 930434027 /nfs/dbraw/zinc/43/40/27/930434027.db2.gz LMKAHFKBRHCUGF-HZPDHXFCSA-N 1 0 405.520 4.037 20 5 HIBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000527078416 930580933 /nfs/dbraw/zinc/58/09/33/930580933.db2.gz PZHUYDZRYXGKBX-CVEARBPZSA-N 1 0 407.392 4.478 20 5 HIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000530857038 930841666 /nfs/dbraw/zinc/84/16/66/930841666.db2.gz JHQIECCGGSITNU-HXUWFJFHSA-N 1 0 416.909 4.199 20 5 HIBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000531630559 931132408 /nfs/dbraw/zinc/13/24/08/931132408.db2.gz GBAVPXNRPTWVEB-HNNXBMFYSA-N 1 0 403.866 4.141 20 5 HIBDRO CC[C@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[NH+](C)C ZINC000531709660 931168748 /nfs/dbraw/zinc/16/87/48/931168748.db2.gz MTEUCRYVPZEDLT-MRXNPFEDSA-N 1 0 409.845 4.136 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCN(c4c(F)cccc4F)C3)cs2)c1 ZINC000531777697 931192812 /nfs/dbraw/zinc/19/28/12/931192812.db2.gz KZZGIXRYQSZOOS-AWEZNQCLSA-N 1 0 416.453 4.365 20 5 HIBDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000531791563 931198581 /nfs/dbraw/zinc/19/85/81/931198581.db2.gz DNYBHBVYDJNAAT-INIZCTEOSA-N 1 0 410.499 4.095 20 5 HIBDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000531791564 931198978 /nfs/dbraw/zinc/19/89/78/931198978.db2.gz DNYBHBVYDJNAAT-MRXNPFEDSA-N 1 0 410.499 4.095 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000532210159 931353150 /nfs/dbraw/zinc/35/31/50/931353150.db2.gz RISSVMAUHKESDM-LAUBAEHRSA-N 1 0 411.502 4.398 20 5 HIBDRO Cc1cc(C[C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000532627422 931560378 /nfs/dbraw/zinc/56/03/78/931560378.db2.gz PYMKNLLOHBLISL-MRXNPFEDSA-N 1 0 416.485 4.200 20 5 HIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000532693981 931589474 /nfs/dbraw/zinc/58/94/74/931589474.db2.gz DVZAHYVLUJGIGN-JKSUJKDBSA-N 1 0 400.454 4.329 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000532966056 931716938 /nfs/dbraw/zinc/71/69/38/931716938.db2.gz WNCMFSFUZKVHPJ-UHFFFAOYSA-N 1 0 411.502 4.161 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000533011820 931734561 /nfs/dbraw/zinc/73/45/61/931734561.db2.gz VXBVHVRQAITHEZ-HXUWFJFHSA-N 1 0 416.909 4.225 20 5 HIBDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000533024890 931742713 /nfs/dbraw/zinc/74/27/13/931742713.db2.gz IZVVVTLWWFLHOD-INIZCTEOSA-N 1 0 415.490 4.236 20 5 HIBDRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000533188368 931804858 /nfs/dbraw/zinc/80/48/58/931804858.db2.gz NGFUCRODNGYETQ-UHFFFAOYSA-N 1 0 416.485 4.051 20 5 HIBDRO C[C@H]1SCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000533289318 931829238 /nfs/dbraw/zinc/82/92/38/931829238.db2.gz DOSPYXKUASYOFN-QRWLVFNGSA-N 1 0 413.499 4.071 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000533303489 931833878 /nfs/dbraw/zinc/83/38/78/931833878.db2.gz ZCAGUWAFRNRENG-OAHLLOKOSA-N 1 0 403.866 4.075 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000533347543 931844355 /nfs/dbraw/zinc/84/43/55/931844355.db2.gz MXTQZVIDMLROLZ-FPOVZHCZSA-N 1 0 424.545 4.217 20 5 HIBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000533438369 931869514 /nfs/dbraw/zinc/86/95/14/931869514.db2.gz DXRRXAJLZPUDBZ-QVKFZJNVSA-N 1 0 411.433 4.393 20 5 HIBDRO COc1cccc(NC2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000533448169 931872630 /nfs/dbraw/zinc/87/26/30/931872630.db2.gz YQBSJJHMTUZFRV-UHFFFAOYSA-N 1 0 422.485 4.377 20 5 HIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534221256 932340466 /nfs/dbraw/zinc/34/04/66/932340466.db2.gz UCMLRQACNQMTFR-UHFFFAOYSA-N 1 0 406.486 4.060 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000534602811 932588548 /nfs/dbraw/zinc/58/85/48/932588548.db2.gz UWERSAQCPHLRPG-UHFFFAOYSA-N 1 0 408.424 4.418 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000534632067 932610688 /nfs/dbraw/zinc/61/06/88/932610688.db2.gz KSGCYTOYWMRRIA-KRWDZBQOSA-N 1 0 420.513 4.167 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOc3cccc(C(F)(F)F)n3)cs2)c1 ZINC000534647517 932620406 /nfs/dbraw/zinc/62/04/06/932620406.db2.gz JSAOGMPZTWFOGN-UHFFFAOYSA-N 1 0 424.404 4.301 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000535115201 932932647 /nfs/dbraw/zinc/93/26/47/932932647.db2.gz DLRLIBPPFGGOLF-REWPJTCUSA-N 1 0 423.513 4.332 20 5 HIBDRO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-n2ccnn2)cc1 ZINC000535185925 933001516 /nfs/dbraw/zinc/00/15/16/933001516.db2.gz PELBKUNHKMPBAZ-AWEZNQCLSA-N 1 0 406.471 4.150 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)[C@H]1CCCO1 ZINC000535187646 933002870 /nfs/dbraw/zinc/00/28/70/933002870.db2.gz XDOVQHMIWCSZGR-WOJBJXKFSA-N 1 0 400.475 4.230 20 5 HIBDRO C[C@H]([NH2+]C1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1)c1ccccc1 ZINC000535398347 933115943 /nfs/dbraw/zinc/11/59/43/933115943.db2.gz KRWXIBLODPNNJA-KRWDZBQOSA-N 1 0 420.513 4.398 20 5 HIBDRO C[NH+](C)Cc1ccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000535690103 933345219 /nfs/dbraw/zinc/34/52/19/933345219.db2.gz NLRZKMXWQQNUBC-UHFFFAOYSA-N 1 0 400.479 4.209 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535800197 933395854 /nfs/dbraw/zinc/39/58/54/933395854.db2.gz VHCKWCQPXGZDKE-PZJWPPBQSA-N 1 0 412.486 4.183 20 5 HIBDRO Cn1cc(C[NH2+]CCc2ccccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537282724 933695989 /nfs/dbraw/zinc/69/59/89/933695989.db2.gz RIKCEHNRIBQKKQ-UHFFFAOYSA-N 1 0 404.392 4.346 20 5 HIBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)cn1 ZINC000537626238 938338471 /nfs/dbraw/zinc/33/84/71/938338471.db2.gz KVNAOONJXQRMKS-AWEZNQCLSA-N 1 0 400.866 4.306 20 5 HIBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000537626859 938338541 /nfs/dbraw/zinc/33/85/41/938338541.db2.gz GQZZSCWFCGVRNK-MRXNPFEDSA-N 1 0 404.850 4.283 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537918662 938413230 /nfs/dbraw/zinc/41/32/30/938413230.db2.gz CZJUQGCMCFUZFC-DLBZAZTESA-N 1 0 417.531 4.181 20 5 HIBDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000537990876 938452430 /nfs/dbraw/zinc/45/24/30/938452430.db2.gz NBHIVMNCLVEEKG-HNNXBMFYSA-N 1 0 400.479 4.328 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000538126439 938512775 /nfs/dbraw/zinc/51/27/75/938512775.db2.gz VCQOITGSFXWEFE-LSDHHAIUSA-N 1 0 401.463 4.068 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)(C)c1ccccc1 ZINC000538156450 938526999 /nfs/dbraw/zinc/52/69/99/938526999.db2.gz ZYNUIEIOALLOLQ-CYBMUJFWSA-N 1 0 420.307 4.252 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538175430 938536839 /nfs/dbraw/zinc/53/68/39/938536839.db2.gz CNWVXFRZZUBXDK-HXUWFJFHSA-N 1 0 409.873 4.421 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000538186805 938543056 /nfs/dbraw/zinc/54/30/56/938543056.db2.gz BWWBGKYSWMVOSK-CYBMUJFWSA-N 1 0 418.400 4.241 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000538186806 938543170 /nfs/dbraw/zinc/54/31/70/938543170.db2.gz BWWBGKYSWMVOSK-ZDUSSCGKSA-N 1 0 418.400 4.241 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000538218837 938561317 /nfs/dbraw/zinc/56/13/17/938561317.db2.gz KTSUUXZWWNLJHI-QFIPXVFZSA-N 1 0 405.454 4.252 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000538387870 938608418 /nfs/dbraw/zinc/60/84/18/938608418.db2.gz WYEXXOYECMKQCZ-UHFFFAOYSA-N 1 0 410.518 4.145 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](CCCCO)C2CC2)cc1 ZINC000538731561 938695128 /nfs/dbraw/zinc/69/51/28/938695128.db2.gz VEIUIVPFAIZWMO-UHFFFAOYSA-N 1 0 406.486 4.184 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)s2)cc1 ZINC000538752011 938702213 /nfs/dbraw/zinc/70/22/13/938702213.db2.gz BSABBQAIUDYSLN-KRWDZBQOSA-N 1 0 400.422 4.459 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000538788103 938711596 /nfs/dbraw/zinc/71/15/96/938711596.db2.gz KFOSZFTUPWTTNM-ZIAGYGMSSA-N 1 0 401.438 4.079 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000538917426 938737574 /nfs/dbraw/zinc/73/75/74/938737574.db2.gz XTPBJVGYXJARIL-UHFFFAOYSA-N 1 0 405.564 4.291 20 5 HIBDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000539060180 938787907 /nfs/dbraw/zinc/78/79/07/938787907.db2.gz SSAIXACVLBZKTP-HNNXBMFYSA-N 1 0 417.531 4.001 20 5 HIBDRO CCc1noc(-c2ccc(CC[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)n1 ZINC000539077978 938796510 /nfs/dbraw/zinc/79/65/10/938796510.db2.gz PNBCQAFVIMVCQU-FQEVSTJZSA-N 1 0 406.486 4.361 20 5 HIBDRO C[C@H]([NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539274375 938831491 /nfs/dbraw/zinc/83/14/91/938831491.db2.gz MKBOTWXXJRGUQL-FDDCHVKYSA-N 1 0 403.482 4.346 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000539338692 938844620 /nfs/dbraw/zinc/84/46/20/938844620.db2.gz HVBRBJWMEZRUTC-ZHRRBRCNSA-N 1 0 402.454 4.113 20 5 HIBDRO CC(C)(COc1ncccc1Br)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000539526846 938873572 /nfs/dbraw/zinc/87/35/72/938873572.db2.gz RUDCJSAPWSXJAK-VMPITWQZSA-N 1 0 406.280 4.213 20 5 HIBDRO COC(=O)CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 ZINC000539713037 938909477 /nfs/dbraw/zinc/90/94/77/938909477.db2.gz QCYTWXNQCLNNJP-UHFFFAOYSA-N 1 0 423.263 4.193 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000539840150 938954238 /nfs/dbraw/zinc/95/42/38/938954238.db2.gz GTZYEUURWMRGGJ-QGZVFWFLSA-N 1 0 401.532 4.224 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540066477 939056580 /nfs/dbraw/zinc/05/65/80/939056580.db2.gz JVZLJYQGWZPQJV-NRFANRHFSA-N 1 0 416.481 4.224 20 5 HIBDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000540347832 939202069 /nfs/dbraw/zinc/20/20/69/939202069.db2.gz YIRKFVXPGGOMOQ-ZWKOTPCHSA-N 1 0 410.518 4.387 20 5 HIBDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000540352688 939204208 /nfs/dbraw/zinc/20/42/08/939204208.db2.gz VOJCYDJDKPQOGD-ZDUSSCGKSA-N 1 0 421.881 4.335 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C ZINC000540354973 939205983 /nfs/dbraw/zinc/20/59/83/939205983.db2.gz WJGPYADTHOAFFR-CYBMUJFWSA-N 1 0 421.881 4.333 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCC ZINC000540367723 939213109 /nfs/dbraw/zinc/21/31/09/939213109.db2.gz GXSRKMHADPNEAS-ZDUSSCGKSA-N 1 0 421.881 4.335 20 5 HIBDRO CC([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)(c1ccccc1)c1ccccc1 ZINC000540403848 939236068 /nfs/dbraw/zinc/23/60/68/939236068.db2.gz LCCMZGCBRBPOPZ-UHFFFAOYSA-N 1 0 417.465 4.446 20 5 HIBDRO C[N@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1)C1CC1 ZINC000540431571 939246186 /nfs/dbraw/zinc/24/61/86/939246186.db2.gz JKWNFPBSTKRPKF-UHFFFAOYSA-N 1 0 418.291 4.246 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC000540456621 939258452 /nfs/dbraw/zinc/25/84/52/939258452.db2.gz YKJHJGJVWGTGRQ-KRWDZBQOSA-N 1 0 410.392 4.022 20 5 HIBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000540466716 939264063 /nfs/dbraw/zinc/26/40/63/939264063.db2.gz GYHNJBAWQIKCGT-INIZCTEOSA-N 1 0 407.474 4.077 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000540511239 939282501 /nfs/dbraw/zinc/28/25/01/939282501.db2.gz MRQRCNLNDLTBRO-IAGOWNOFSA-N 1 0 410.518 4.143 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540594854 939314282 /nfs/dbraw/zinc/31/42/82/939314282.db2.gz GTKIEPVRDSMLFH-CNRGFGOASA-N 1 0 408.502 4.215 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOc3ccc(C(F)(F)F)cn3)cs2)c1 ZINC000540613284 939320239 /nfs/dbraw/zinc/32/02/39/939320239.db2.gz JSCVWPYXNHWSNJ-UHFFFAOYSA-N 1 0 424.404 4.301 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000541059765 939445892 /nfs/dbraw/zinc/44/58/92/939445892.db2.gz PMGITGJGGSLLJW-SCTDSRPQSA-N 1 0 407.555 4.190 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000541555013 939554307 /nfs/dbraw/zinc/55/43/07/939554307.db2.gz GRZQXUYPJHDRFZ-ZDUSSCGKSA-N 1 0 402.800 4.208 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@@H+]1C ZINC000541584228 939560357 /nfs/dbraw/zinc/56/03/57/939560357.db2.gz ZWLREAZPRWPOMS-DOTOQJQBSA-N 1 0 405.564 4.432 20 5 HIBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000541625714 939573822 /nfs/dbraw/zinc/57/38/22/939573822.db2.gz JCUWTADKZKCNKY-WIYYLYMNSA-N 1 0 406.482 4.145 20 5 HIBDRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000541629772 939576210 /nfs/dbraw/zinc/57/62/10/939576210.db2.gz YUWZIBFNKDAIIS-NJSLBKSFSA-N 1 0 405.495 4.098 20 5 HIBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541679639 939599024 /nfs/dbraw/zinc/59/90/24/939599024.db2.gz VMLGFNACVOYYNN-RBUKOAKNSA-N 1 0 403.548 4.234 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000541718731 939613860 /nfs/dbraw/zinc/61/38/60/939613860.db2.gz NZMNEFDFJAUPLD-AVRDEDQJSA-N 1 0 423.513 4.474 20 5 HIBDRO COc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542031627 939693227 /nfs/dbraw/zinc/69/32/27/939693227.db2.gz FHFYQBSKEBIKAE-QUCCMNQESA-N 1 0 424.501 4.122 20 5 HIBDRO COc1ccc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1[N+](=O)[O-] ZINC000542035787 939694562 /nfs/dbraw/zinc/69/45/62/939694562.db2.gz SDCLVNSQXWIBKR-UHFFFAOYSA-N 1 0 424.501 4.123 20 5 HIBDRO COc1cc2c(c(OC)c1OC)CCN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000542119459 939720960 /nfs/dbraw/zinc/72/09/60/939720960.db2.gz CSZFTGWBIRYPKG-UHFFFAOYSA-N 1 0 423.469 4.082 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000542142414 939728375 /nfs/dbraw/zinc/72/83/75/939728375.db2.gz MOPIVNDARFAEIR-GJZGRUSLSA-N 1 0 410.474 4.011 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(CCCO)CC2)cc1 ZINC000542173234 939744088 /nfs/dbraw/zinc/74/40/88/939744088.db2.gz RSYVPUNNUZQLJT-UHFFFAOYSA-N 1 0 420.513 4.432 20 5 HIBDRO 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 939838155 /nfs/dbraw/zinc/83/81/55/939838155.db2.gz VGMGPIFBJDTBHM-SVQXRNPESA-N 1 0 413.493 4.110 20 5 HIBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542618354 939849279 /nfs/dbraw/zinc/84/92/79/939849279.db2.gz FYRNYYATZXJSKF-MRXNPFEDSA-N 1 0 403.548 4.091 20 5 HIBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000542634161 939850744 /nfs/dbraw/zinc/85/07/44/939850744.db2.gz WYHXHTUCOVXOGR-UHFFFAOYSA-N 1 0 405.564 4.480 20 5 HIBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542661215 939852302 /nfs/dbraw/zinc/85/23/02/939852302.db2.gz PRVLNDVZVLPDGY-KRWDZBQOSA-N 1 0 405.564 4.291 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000542685358 939854100 /nfs/dbraw/zinc/85/41/00/939854100.db2.gz GPEIPEQSECORGK-AWEZNQCLSA-N 1 0 414.815 4.339 20 5 HIBDRO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000542708932 939855755 /nfs/dbraw/zinc/85/57/55/939855755.db2.gz ZYALNTNYNIXGLK-UHFFFAOYSA-N 1 0 405.564 4.291 20 5 HIBDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1F ZINC000543186011 939989469 /nfs/dbraw/zinc/98/94/69/939989469.db2.gz QWCIMMBWMPHRRM-GOSISDBHSA-N 1 0 414.886 4.148 20 5 HIBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCSc1ccnc3cc(Cl)ccc31)CC2 ZINC000543479295 940078114 /nfs/dbraw/zinc/07/81/14/940078114.db2.gz YNMWDRPTHPYOQE-UHFFFAOYSA-N 1 0 400.891 4.342 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)cc1 ZINC000543596314 940124833 /nfs/dbraw/zinc/12/48/33/940124833.db2.gz CNQUFYYLJBZADT-MOPGFXCFSA-N 1 0 402.516 4.075 20 5 HIBDRO C[N@H+](CCc1cccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000543797627 940190205 /nfs/dbraw/zinc/19/02/05/940190205.db2.gz PBVCHUIOUCAIBL-UHFFFAOYSA-N 1 0 405.401 4.085 20 5 HIBDRO O=[N+]([O-])c1cc(Br)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000563842579 945312413 /nfs/dbraw/zinc/31/24/13/945312413.db2.gz SZQBFJCORYCIBW-QGZVFWFLSA-N 1 0 421.291 4.027 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000544197592 940351374 /nfs/dbraw/zinc/35/13/74/940351374.db2.gz VNELFOKITXQPEU-HNNXBMFYSA-N 1 0 411.911 4.133 20 5 HIBDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000544366390 940403203 /nfs/dbraw/zinc/40/32/03/940403203.db2.gz QWTGSILBWIMUFC-UHFFFAOYSA-N 1 0 412.273 4.337 20 5 HIBDRO COc1ccccc1C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000544454381 940437749 /nfs/dbraw/zinc/43/77/49/940437749.db2.gz GBLUOXOGXQBBGA-KRWDZBQOSA-N 1 0 405.882 4.052 20 5 HIBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)c1ccccc1C(F)(F)F ZINC000544453770 940437773 /nfs/dbraw/zinc/43/77/73/940437773.db2.gz QKSQLKZSVOHACU-KGLIPLIRSA-N 1 0 421.419 4.285 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000544464615 940442393 /nfs/dbraw/zinc/44/23/93/940442393.db2.gz WRZXZQSYRIGSFG-VFNWGFHPSA-N 1 0 417.481 4.045 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000544489797 940455016 /nfs/dbraw/zinc/45/50/16/940455016.db2.gz GGZGWJZMWVJPEA-GFCCVEGCSA-N 1 0 406.508 4.037 20 5 HIBDRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544491550 940455899 /nfs/dbraw/zinc/45/58/99/940455899.db2.gz MOJLBHCZDVWBGB-KRWDZBQOSA-N 1 0 413.493 4.386 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000544515653 940467750 /nfs/dbraw/zinc/46/77/50/940467750.db2.gz MQPPHOHXUMIXOA-CLUVUEOHSA-N 1 0 408.401 4.248 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)c2c1 ZINC000544608993 940490135 /nfs/dbraw/zinc/49/01/35/940490135.db2.gz BZXIWXHSHXDBRQ-UHFFFAOYSA-N 1 0 403.442 4.313 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000544974438 940530003 /nfs/dbraw/zinc/53/00/03/940530003.db2.gz NPZISCJQYYHPAV-AWEZNQCLSA-N 1 0 414.487 4.439 20 5 HIBDRO C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000545148831 940551203 /nfs/dbraw/zinc/55/12/03/940551203.db2.gz VENFFSDDVIYOBL-KRWDZBQOSA-N 1 0 413.493 4.135 20 5 HIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@]12CCCO2 ZINC000545548601 940574279 /nfs/dbraw/zinc/57/42/79/940574279.db2.gz UZSWFYSFFJIJFN-ZCNNSNEGSA-N 1 0 406.866 4.324 20 5 HIBDRO COc1ccccc1C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000545557141 940574538 /nfs/dbraw/zinc/57/45/38/940574538.db2.gz BHKKGDPIJIJJLQ-UHFFFAOYSA-N 1 0 406.486 4.215 20 5 HIBDRO C[NH+](C)CCOc1cccc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c1 ZINC000545693545 940581181 /nfs/dbraw/zinc/58/11/81/940581181.db2.gz ANNSUDSDWNPDHK-UHFFFAOYSA-N 1 0 422.363 4.271 20 5 HIBDRO O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)cc1 ZINC000546235237 940739016 /nfs/dbraw/zinc/73/90/16/940739016.db2.gz DVOZRZXJNGGBLM-UHFFFAOYSA-N 1 0 400.385 4.381 20 5 HIBDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 ZINC000546703419 940870848 /nfs/dbraw/zinc/87/08/48/940870848.db2.gz RFBGXHFRFRSCCJ-UHFFFAOYSA-N 1 0 419.279 4.376 20 5 HIBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000546761238 940878505 /nfs/dbraw/zinc/87/85/05/940878505.db2.gz XPXBVMCRCFJFRW-OXQOHEQNSA-N 1 0 406.866 4.324 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000547010088 940955495 /nfs/dbraw/zinc/95/54/95/940955495.db2.gz AEMZTXDWKGAAJB-UHFFFAOYSA-N 1 0 412.446 4.041 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000547726657 941073751 /nfs/dbraw/zinc/07/37/51/941073751.db2.gz HRODDYSKMHYNAW-ZDUSSCGKSA-N 1 0 411.380 4.043 20 5 HIBDRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000549859460 941218192 /nfs/dbraw/zinc/21/81/92/941218192.db2.gz RIEDKCAXQSPUPP-MRXNPFEDSA-N 1 0 415.453 4.399 20 5 HIBDRO COc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(OC)c1OC ZINC000549925073 941239393 /nfs/dbraw/zinc/23/93/93/941239393.db2.gz AYXURAZODXOXMF-NSHDSACASA-N 1 0 414.380 4.490 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550032819 941269808 /nfs/dbraw/zinc/26/98/08/941269808.db2.gz YIQFWBPLFQDBPK-UHFFFAOYSA-N 1 0 408.857 4.277 20 5 HIBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)c1 ZINC000550409591 941323478 /nfs/dbraw/zinc/32/34/78/941323478.db2.gz QBKDCXWTKJLFPP-UHFFFAOYSA-N 1 0 408.857 4.148 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000551242902 941434629 /nfs/dbraw/zinc/43/46/29/941434629.db2.gz YCEMFHMAXYAVNR-LZJOCLMNSA-N 1 0 413.493 4.397 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000551487612 941488816 /nfs/dbraw/zinc/48/88/16/941488816.db2.gz MBVMIEQIJCEQJB-UHFFFAOYSA-N 1 0 401.429 4.102 20 5 HIBDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000554015889 942019905 /nfs/dbraw/zinc/01/99/05/942019905.db2.gz KMHGBZYWOWHDTM-BTYIYWSLSA-N 1 0 417.481 4.044 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1OC ZINC000554292449 942093214 /nfs/dbraw/zinc/09/32/14/942093214.db2.gz WKJYQQSJVYSCDA-OAHLLOKOSA-N 1 0 411.458 4.469 20 5 HIBDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554878834 942305930 /nfs/dbraw/zinc/30/59/30/942305930.db2.gz GYHIQJKPJUEZKA-HXUWFJFHSA-N 1 0 408.506 4.453 20 5 HIBDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887029 942309017 /nfs/dbraw/zinc/30/90/17/942309017.db2.gz APGHQFONPXQMKS-FZKQIMNGSA-N 1 0 422.323 4.389 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000555010574 942355201 /nfs/dbraw/zinc/35/52/01/942355201.db2.gz BGBKCACODBZHSI-HXUWFJFHSA-N 1 0 412.490 4.124 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC000555133496 942397590 /nfs/dbraw/zinc/39/75/90/942397590.db2.gz SXWUIYRWILTYEM-NZQKXSOJSA-N 1 0 411.502 4.070 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000556545065 942895401 /nfs/dbraw/zinc/89/54/01/942895401.db2.gz DVUWXCIDCGAUOM-UHFFFAOYSA-N 1 0 401.850 4.215 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556608685 942914086 /nfs/dbraw/zinc/91/40/86/942914086.db2.gz MYUWSSCGSIACBP-CTNGQTDRSA-N 1 0 412.486 4.326 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccncc2OCc2ccccc2)n1 ZINC000556912357 942963135 /nfs/dbraw/zinc/96/31/35/942963135.db2.gz RHPLADUMQUGOIA-PMACEKPBSA-N 1 0 407.474 4.039 20 5 HIBDRO Cc1c(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000558222941 943442053 /nfs/dbraw/zinc/44/20/53/943442053.db2.gz UKDJZMUXDOFTHL-FQEVSTJZSA-N 1 0 400.479 4.115 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000558305381 943495763 /nfs/dbraw/zinc/49/57/63/943495763.db2.gz YJGHCEAIOSBYHD-UHFFFAOYSA-N 1 0 419.481 4.469 20 5 HIBDRO CCOc1cc(C[N@@H+]2[C@H](C)CC[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000558423703 943556114 /nfs/dbraw/zinc/55/61/14/943556114.db2.gz OKQPFRVXZFODIZ-APWZRJJASA-N 1 0 416.522 4.340 20 5 HIBDRO Cc1c(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000558609325 943616829 /nfs/dbraw/zinc/61/68/29/943616829.db2.gz CPJXADAZYXVBCV-HXUWFJFHSA-N 1 0 410.518 4.005 20 5 HIBDRO CCN1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558896255 943729325 /nfs/dbraw/zinc/72/93/25/943729325.db2.gz IRYKLWCQRREIPP-UZLBHIALSA-N 1 0 418.856 4.454 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000558899458 943734537 /nfs/dbraw/zinc/73/45/37/943734537.db2.gz UBCALCDHBRYLDN-RXVVDRJESA-N 1 0 405.445 4.195 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000559984718 944111228 /nfs/dbraw/zinc/11/12/28/944111228.db2.gz VRGSCIKEMJLYJK-DNVCBOLYSA-N 1 0 401.532 4.133 20 5 HIBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528599 944243600 /nfs/dbraw/zinc/24/36/00/944243600.db2.gz JFBNDVXUJUVPEO-YADHBBJMSA-N 1 0 411.550 4.052 20 5 HIBDRO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528596 944243780 /nfs/dbraw/zinc/24/37/80/944243780.db2.gz JFBNDVXUJUVPEO-FCHUYYIVSA-N 1 0 411.550 4.052 20 5 HIBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528598 944244133 /nfs/dbraw/zinc/24/41/33/944244133.db2.gz JFBNDVXUJUVPEO-VXKWHMMOSA-N 1 0 411.550 4.052 20 5 HIBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000561260029 944531303 /nfs/dbraw/zinc/53/13/03/944531303.db2.gz ZNULVFGXTANVAI-SJLPKXTDSA-N 1 0 409.515 4.090 20 5 HIBDRO CCc1oc2ccccc2c1C[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000561323113 944550956 /nfs/dbraw/zinc/55/09/56/944550956.db2.gz YSKPNBRCMFWVCW-UHFFFAOYSA-N 1 0 411.458 4.373 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000561417736 944588526 /nfs/dbraw/zinc/58/85/26/944588526.db2.gz RRVRWCUBXNGWFM-XLIONFOSSA-N 1 0 408.502 4.219 20 5 HIBDRO COc1cc(C[NH+]2CCC(c3ccncc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000561971042 944881207 /nfs/dbraw/zinc/88/12/07/944881207.db2.gz VSQQNFRBYVIIDR-UHFFFAOYSA-N 1 0 407.417 4.022 20 5 HIBDRO COc1ccccc1[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000566862539 946134253 /nfs/dbraw/zinc/13/42/53/946134253.db2.gz JQTQCLPVYJXTIW-MRXNPFEDSA-N 1 0 413.503 4.247 20 5 HIBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000567272829 946284709 /nfs/dbraw/zinc/28/47/09/946284709.db2.gz SGOJPZVWBGEPBM-BVSLBCMMSA-N 1 0 422.529 4.099 20 5 HIBDRO CC[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000567970952 946434391 /nfs/dbraw/zinc/43/43/91/946434391.db2.gz PJJPXJUBLOYBAQ-HXUWFJFHSA-N 1 0 422.485 4.205 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)c2cccnc2)ccc1Oc1ccccc1Cl ZINC000568555175 946592986 /nfs/dbraw/zinc/59/29/86/946592986.db2.gz HBWQWRPSCDBCPS-KRWDZBQOSA-N 1 0 413.861 4.301 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000569603913 946895819 /nfs/dbraw/zinc/89/58/19/946895819.db2.gz URKYTUWLHHCFOM-LJQANCHMSA-N 1 0 424.545 4.353 20 5 HIBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000570422360 947236317 /nfs/dbraw/zinc/23/63/17/947236317.db2.gz SXABXAPCTCYKPA-SMDDNHRTSA-N 1 0 412.393 4.040 20 5 HIBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000570422358 947236336 /nfs/dbraw/zinc/23/63/36/947236336.db2.gz SXABXAPCTCYKPA-FZMZJTMJSA-N 1 0 412.393 4.040 20 5 HIBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000570422357 947236583 /nfs/dbraw/zinc/23/65/83/947236583.db2.gz SXABXAPCTCYKPA-BXUZGUMPSA-N 1 0 412.393 4.040 20 5 HIBDRO Cc1ccccc1C1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000570432842 947241063 /nfs/dbraw/zinc/24/10/63/947241063.db2.gz GSXMSUGABWLJRH-JOCHJYFZSA-N 1 0 420.513 4.064 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000570490695 947266849 /nfs/dbraw/zinc/26/68/49/947266849.db2.gz WLDVDGZXUPEQDI-HNNXBMFYSA-N 1 0 402.520 4.252 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000570687617 947327365 /nfs/dbraw/zinc/32/73/65/947327365.db2.gz JXYISRLGTWUSQB-REPLKXPHSA-N 1 0 409.486 4.343 20 5 HIBDRO COC[C@]1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000570889127 947385829 /nfs/dbraw/zinc/38/58/29/947385829.db2.gz KKUNAPJTVZSZFG-DQEYMECFSA-N 1 0 418.493 4.388 20 5 HIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]1n1cccn1 ZINC000571422002 947639458 /nfs/dbraw/zinc/63/94/58/947639458.db2.gz NJGBHZCAQFEYHQ-DFQSSKMNSA-N 1 0 416.865 4.213 20 5 HIBDRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000571687067 947747126 /nfs/dbraw/zinc/74/71/26/947747126.db2.gz NFZJWZJFRVTMQY-JTQLQIEISA-N 1 0 407.243 4.094 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCCSC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000571718041 947759780 /nfs/dbraw/zinc/75/97/80/947759780.db2.gz JJZAIOQBJWRICA-KRWDZBQOSA-N 1 0 402.516 4.415 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000572065292 947838048 /nfs/dbraw/zinc/83/80/48/947838048.db2.gz KGQLTYGVNYNGNJ-UHFFFAOYSA-N 1 0 422.485 4.005 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000572548771 947942098 /nfs/dbraw/zinc/94/20/98/947942098.db2.gz OTSNHOODAZLXQD-VQTJNVASSA-N 1 0 419.428 4.100 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)C3CCCC3)o2)c(Br)c1 ZINC000573491781 948217707 /nfs/dbraw/zinc/21/77/07/948217707.db2.gz HGCCWFXAAHBIOJ-KRWDZBQOSA-N 1 0 409.280 4.258 20 5 HIBDRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000573633073 948258272 /nfs/dbraw/zinc/25/82/72/948258272.db2.gz XXFWSMPUKFPWHF-RZFNWQHOSA-N 1 0 419.529 4.060 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000574183950 948380655 /nfs/dbraw/zinc/38/06/55/948380655.db2.gz QSRAYMYOJOPGPA-MRXNPFEDSA-N 1 0 405.564 4.433 20 5 HIBDRO C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574743586 948519885 /nfs/dbraw/zinc/51/98/85/948519885.db2.gz IHGKUAHJZNPIPO-YWZLYKJASA-N 1 0 401.894 4.305 20 5 HIBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728289 720479182 /nfs/dbraw/zinc/47/91/82/720479182.db2.gz OYIYTEHZTCXLCX-ROUUACIJSA-N 1 0 409.877 4.045 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436124870 861411059 /nfs/dbraw/zinc/41/10/59/861411059.db2.gz AUDBGJZZLBDRSS-PXNSSMCTSA-N 1 0 411.505 4.247 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000008169797 845484534 /nfs/dbraw/zinc/48/45/34/845484534.db2.gz ZCNGRRBDLFMWFL-SFHVURJKSA-N 1 0 410.518 4.201 20 5 HIBDRO COc1ccc(CCC2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1 ZINC000011419866 845792411 /nfs/dbraw/zinc/79/24/11/845792411.db2.gz GKTDLIZDGFMZKS-UHFFFAOYSA-N 1 0 412.486 4.315 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1[N+](=O)[O-] ZINC000436305842 861611739 /nfs/dbraw/zinc/61/17/39/861611739.db2.gz HCCQGUIRGKAAJT-FAEJEUNOSA-N 1 0 407.470 4.161 20 5 HIBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000436325987 861630167 /nfs/dbraw/zinc/63/01/67/861630167.db2.gz CITCFFIGSHRFQR-UHFFFAOYSA-N 1 0 413.521 4.194 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)c1 ZINC000023679100 846738570 /nfs/dbraw/zinc/73/85/70/846738570.db2.gz XNUSFRHNOFLZEZ-RDPSFJRHSA-N 1 0 418.449 4.460 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000025255509 846948452 /nfs/dbraw/zinc/94/84/52/846948452.db2.gz GOGYWMXVIUEPER-UHFFFAOYSA-N 1 0 411.380 4.262 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000025809876 847040316 /nfs/dbraw/zinc/04/03/16/847040316.db2.gz CGONTGBAVOJIBJ-UHFFFAOYSA-N 1 0 416.403 4.484 20 5 HIBDRO O=C(CC[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026227629 847107348 /nfs/dbraw/zinc/10/73/48/847107348.db2.gz CVVGUUFOUDXEGJ-UHFFFAOYSA-N 1 0 410.499 4.413 20 5 HIBDRO CCc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000026300547 847120505 /nfs/dbraw/zinc/12/05/05/847120505.db2.gz HHOCIZHCWBKDFV-QRWLVFNGSA-N 1 0 401.532 4.057 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000026342562 847127831 /nfs/dbraw/zinc/12/78/31/847127831.db2.gz OKMHZSVXRYYOTK-UHFFFAOYSA-N 1 0 411.502 4.277 20 5 HIBDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000026644939 847180019 /nfs/dbraw/zinc/18/00/19/847180019.db2.gz KAMXWSFXSPRWPC-UHFFFAOYSA-N 1 0 409.486 4.135 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000027110321 847249071 /nfs/dbraw/zinc/24/90/71/847249071.db2.gz CGIVMVRJFWIUQM-GOSISDBHSA-N 1 0 403.866 4.423 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000029341825 847547690 /nfs/dbraw/zinc/54/76/90/847547690.db2.gz QPTVKNMSWSRFBX-UHFFFAOYSA-N 1 0 413.543 4.235 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)o2)cc1 ZINC000029825274 847626643 /nfs/dbraw/zinc/62/66/43/847626643.db2.gz IXZZJPLJYIBHRD-HNNXBMFYSA-N 1 0 405.414 4.166 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828897 847627241 /nfs/dbraw/zinc/62/72/41/847627241.db2.gz KEELGYOGQSKVMX-MRXNPFEDSA-N 1 0 408.458 4.253 20 5 HIBDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000031766349 847944571 /nfs/dbraw/zinc/94/45/71/847944571.db2.gz DAKDJKRUDGQELC-SFHVURJKSA-N 1 0 413.543 4.118 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000031987083 847975711 /nfs/dbraw/zinc/97/57/11/847975711.db2.gz OVCHMFZCPYZBDW-KDOFPFPSSA-N 1 0 407.561 4.336 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000031987085 847975958 /nfs/dbraw/zinc/97/59/58/847975958.db2.gz OVCHMFZCPYZBDW-RDTXWAMCSA-N 1 0 407.561 4.336 20 5 HIBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000042918262 848365725 /nfs/dbraw/zinc/36/57/25/848365725.db2.gz FVTRUHUBMRPTSY-UHFFFAOYSA-N 1 0 405.401 4.434 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047400749 849040136 /nfs/dbraw/zinc/04/01/36/849040136.db2.gz RFINSTZQJPYIHM-INIZCTEOSA-N 1 0 400.479 4.198 20 5 HIBDRO O=C(CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000052823785 849631715 /nfs/dbraw/zinc/63/17/15/849631715.db2.gz FTNDRVJVUPVHQJ-UHFFFAOYSA-N 1 0 408.433 4.333 20 5 HIBDRO CC(C)[NH+](CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)C ZINC000053757577 849755254 /nfs/dbraw/zinc/75/52/54/849755254.db2.gz RUXGTVIMODCBMC-KRWDZBQOSA-N 1 0 413.522 4.012 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000055151916 849978233 /nfs/dbraw/zinc/97/82/33/849978233.db2.gz RGFJAMHLFMWYSS-LSDHHAIUSA-N 1 0 401.463 4.068 20 5 HIBDRO O=C(c1cc(F)ccc1F)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055903593 850201875 /nfs/dbraw/zinc/20/18/75/850201875.db2.gz JXNMHDQNOCRZIC-UHFFFAOYSA-N 1 0 404.413 4.237 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000056157023 850261972 /nfs/dbraw/zinc/26/19/72/850261972.db2.gz OJVOBGQOHNUDLD-GJZGRUSLSA-N 1 0 401.463 4.068 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000056170614 850270438 /nfs/dbraw/zinc/27/04/38/850270438.db2.gz YQDSOUJYQKXOTN-GJZGRUSLSA-N 1 0 401.463 4.068 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000060269509 851057503 /nfs/dbraw/zinc/05/75/03/851057503.db2.gz NXIWYVBVHHHKNJ-FQEVSTJZSA-N 1 0 415.465 4.052 20 5 HIBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[NH+]2CCCC2)cc1 ZINC000060862589 851234472 /nfs/dbraw/zinc/23/44/72/851234472.db2.gz XOFXXKBDZDKAHC-QHCPKHFHSA-N 1 0 422.529 4.388 20 5 HIBDRO NC(=O)c1ccc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 ZINC000061014216 851274081 /nfs/dbraw/zinc/27/40/81/851274081.db2.gz PHBYZBCSTLZUEN-UHFFFAOYSA-N 1 0 411.845 4.429 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065087061 852059507 /nfs/dbraw/zinc/05/95/07/852059507.db2.gz JNJKWODTBAFQCG-FQEVSTJZSA-N 1 0 422.510 4.285 20 5 HIBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065099647 852064144 /nfs/dbraw/zinc/06/41/44/852064144.db2.gz VMWRNMVBHYGWHZ-GOSISDBHSA-N 1 0 422.510 4.113 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCCCC1 ZINC000065497810 852158594 /nfs/dbraw/zinc/15/85/94/852158594.db2.gz DMNNTQWOFORCJJ-OAQYLSRUSA-N 1 0 422.485 4.042 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437148368 862341565 /nfs/dbraw/zinc/34/15/65/862341565.db2.gz HONZDRCLPZYYCJ-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437153657 862345837 /nfs/dbraw/zinc/34/58/37/862345837.db2.gz HDCZYQLSNGFBHD-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000065984143 852340293 /nfs/dbraw/zinc/34/02/93/852340293.db2.gz ATLJYGRPZHKVQN-UHFFFAOYSA-N 1 0 410.396 4.209 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000072006503 852462105 /nfs/dbraw/zinc/46/21/05/852462105.db2.gz IIQGAEWTNZQXED-FQEVSTJZSA-N 1 0 401.894 4.451 20 5 HIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000096993954 852570575 /nfs/dbraw/zinc/57/05/75/852570575.db2.gz TYLACGVNFXIDKF-AWEZNQCLSA-N 1 0 405.380 4.036 20 5 HIBDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000097494421 852619474 /nfs/dbraw/zinc/61/94/74/852619474.db2.gz WWGGDWXKVRVKST-UHFFFAOYSA-N 1 0 418.497 4.153 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000109498083 852977230 /nfs/dbraw/zinc/97/72/30/852977230.db2.gz XRXKQFOQZRYMRC-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000110679804 853137249 /nfs/dbraw/zinc/13/72/49/853137249.db2.gz CBPUPUJNMUXMFI-MRXNPFEDSA-N 1 0 403.866 4.207 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000112654565 853236870 /nfs/dbraw/zinc/23/68/70/853236870.db2.gz BMUGVBMFJUJULZ-NRFANRHFSA-N 1 0 417.481 4.063 20 5 HIBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000195685858 853758154 /nfs/dbraw/zinc/75/81/54/853758154.db2.gz KWHQSLMJQWRNFQ-UHFFFAOYSA-N 1 0 410.396 4.209 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000216528231 853855013 /nfs/dbraw/zinc/85/50/13/853855013.db2.gz MOSNSZYTDHMKPI-OAQYLSRUSA-N 1 0 422.485 4.042 20 5 HIBDRO COc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1Br ZINC000216747867 853857591 /nfs/dbraw/zinc/85/75/91/853857591.db2.gz JCHRODTVIPNPFV-LLVKDONJSA-N 1 0 423.263 4.083 20 5 HIBDRO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000236714676 853915408 /nfs/dbraw/zinc/91/54/08/853915408.db2.gz FOUUIJWZGVFFJH-UHFFFAOYSA-N 1 0 402.539 4.315 20 5 HIBDRO CC(C)C(=O)N1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236781684 853922421 /nfs/dbraw/zinc/92/24/21/853922421.db2.gz WRUYYKIIAWIFIB-UHFFFAOYSA-N 1 0 415.465 4.263 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237004466 853950482 /nfs/dbraw/zinc/95/04/82/853950482.db2.gz IADKSKAXXCTBEW-QFBILLFUSA-N 1 0 416.522 4.246 20 5 HIBDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237015828 853951394 /nfs/dbraw/zinc/95/13/94/853951394.db2.gz JYSFHDXOBGFDFE-LJQANCHMSA-N 1 0 409.511 4.112 20 5 HIBDRO COc1cc(Br)c(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1OC ZINC000237182039 853977239 /nfs/dbraw/zinc/97/72/39/853977239.db2.gz JGVINOQUSINJNY-FNORWQNLSA-N 1 0 407.264 4.178 20 5 HIBDRO COc1cc(C[NH2+]CCc2c(C)noc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237191741 853978860 /nfs/dbraw/zinc/97/88/60/853978860.db2.gz QZZKVMFXGFXJGX-UHFFFAOYSA-N 1 0 411.458 4.120 20 5 HIBDRO COC(=O)COc1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000237194233 853979364 /nfs/dbraw/zinc/97/93/64/853979364.db2.gz MEJCVEITIIKSHH-UHFFFAOYSA-N 1 0 412.467 4.165 20 5 HIBDRO COc1cc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237243802 853989946 /nfs/dbraw/zinc/98/99/46/853989946.db2.gz LWJFWLRTUXOPKH-PMACEKPBSA-N 1 0 413.518 4.145 20 5 HIBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000237388949 854020389 /nfs/dbraw/zinc/02/03/89/854020389.db2.gz YXACQWXTUGPKSH-AWEZNQCLSA-N 1 0 400.866 4.206 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000237405367 854025935 /nfs/dbraw/zinc/02/59/35/854025935.db2.gz GYSWLXCKRJMVAT-CYBMUJFWSA-N 1 0 405.882 4.433 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237423504 854029680 /nfs/dbraw/zinc/02/96/80/854029680.db2.gz OKRYZRNIZTYOFM-HNNXBMFYSA-N 1 0 419.441 4.295 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](c3cccs3)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237429904 854031298 /nfs/dbraw/zinc/03/12/98/854031298.db2.gz SPSWBVLQIMQFDK-SFHVURJKSA-N 1 0 401.488 4.317 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-] ZINC000237543611 854052418 /nfs/dbraw/zinc/05/24/18/854052418.db2.gz FVIUHZYMLQXMSK-UHFFFAOYSA-N 1 0 415.453 4.141 20 5 HIBDRO C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000237589564 854059768 /nfs/dbraw/zinc/05/97/68/854059768.db2.gz JSZBYAXNVOSRNH-QGZVFWFLSA-N 1 0 405.502 4.020 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000237660256 854070204 /nfs/dbraw/zinc/07/02/04/854070204.db2.gz DJNHLNIBWQBAJC-CVEARBPZSA-N 1 0 415.465 4.405 20 5 HIBDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000237681948 854074821 /nfs/dbraw/zinc/07/48/21/854074821.db2.gz CANGGFDZFSGRSC-UHFFFAOYSA-N 1 0 419.481 4.253 20 5 HIBDRO Cc1ccccc1C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000237704724 854078932 /nfs/dbraw/zinc/07/89/32/854078932.db2.gz VEHHACBPCNANGS-UHFFFAOYSA-N 1 0 420.513 4.142 20 5 HIBDRO Cc1ccccc1CN1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237733231 854085872 /nfs/dbraw/zinc/08/58/72/854085872.db2.gz CIHNIMGHYFNSFA-UHFFFAOYSA-N 1 0 419.529 4.058 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(-n4cncn4)cc3)o2)c(Cl)c1 ZINC000237819519 854103074 /nfs/dbraw/zinc/10/30/74/854103074.db2.gz BLUSGMRDXYLRLP-UHFFFAOYSA-N 1 0 409.833 4.379 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCN(CC(F)(F)F)C3)o2)c(Cl)c1 ZINC000237868506 854111712 /nfs/dbraw/zinc/11/17/12/854111712.db2.gz IAQZTIUSVSBVFV-NSHDSACASA-N 1 0 403.788 4.234 20 5 HIBDRO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000237914396 854118779 /nfs/dbraw/zinc/11/87/79/854118779.db2.gz PHXJRBOODMIOMV-UHFFFAOYSA-N 1 0 411.483 4.311 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)s1 ZINC000237960112 854125465 /nfs/dbraw/zinc/12/54/65/854125465.db2.gz BQXLGOCSAYVHPV-UHFFFAOYSA-N 1 0 423.538 4.445 20 5 HIBDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c1)CC2 ZINC000237968041 854127324 /nfs/dbraw/zinc/12/73/24/854127324.db2.gz BEEWKHVQOJWKDZ-QGZVFWFLSA-N 1 0 409.515 4.059 20 5 HIBDRO O=[N+]([O-])c1cc(CNCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000237996705 854130834 /nfs/dbraw/zinc/13/08/34/854130834.db2.gz MLYHOQLBTFTWAF-UHFFFAOYSA-N 1 0 422.554 4.268 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)C1 ZINC000301083198 854290538 /nfs/dbraw/zinc/29/05/38/854290538.db2.gz GTVLEIYOPBINHP-OAHLLOKOSA-N 1 0 407.474 4.088 20 5 HIBDRO O=c1[nH]cnc2cc(NCc3ccccc3C[NH+]3CCCCCC3)c([N+](=O)[O-])cc21 ZINC000301256680 854341048 /nfs/dbraw/zinc/34/10/48/854341048.db2.gz UDWVXOCNDULPCU-UHFFFAOYSA-N 1 0 407.474 4.232 20 5 HIBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[NH+]2CCCC2)cc1 ZINC000301444509 854395995 /nfs/dbraw/zinc/39/59/95/854395995.db2.gz YVWCJCYGLIZLSN-NRFANRHFSA-N 1 0 410.474 4.109 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@@H]1c1cccs1 ZINC000301449140 854396990 /nfs/dbraw/zinc/39/69/90/854396990.db2.gz WROXVCAMOGKOQZ-IFXJQAMLSA-N 1 0 416.503 4.108 20 5 HIBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000301507201 854409824 /nfs/dbraw/zinc/40/98/24/854409824.db2.gz AAYVFUFCZKJLOS-GHTZIAJQSA-N 1 0 422.529 4.296 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301670990 854441817 /nfs/dbraw/zinc/44/18/17/854441817.db2.gz FJNCAZYRGIBNSZ-IYBDPMFKSA-N 1 0 424.501 4.016 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301687143 854445637 /nfs/dbraw/zinc/44/56/37/854445637.db2.gz VYIPKZWHZBFZCP-CQSZACIVSA-N 1 0 411.344 4.233 20 5 HIBDRO CCCc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c2ccccc2[nH+]1 ZINC000301775100 854463989 /nfs/dbraw/zinc/46/39/89/854463989.db2.gz GEAMYIRKLWIWEY-UHFFFAOYSA-N 1 0 410.499 4.119 20 5 HIBDRO C[NH+]1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc2)CC1 ZINC000301861912 854478680 /nfs/dbraw/zinc/47/86/80/854478680.db2.gz LCSYVZDFEVJKOX-OAQYLSRUSA-N 1 0 417.513 4.057 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301897832 854488360 /nfs/dbraw/zinc/48/83/60/854488360.db2.gz ROFJVOICWHIHJV-ZDUSSCGKSA-N 1 0 405.296 4.390 20 5 HIBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000301933473 854496894 /nfs/dbraw/zinc/49/68/94/854496894.db2.gz NKLYUYMIPVWQLG-UHFFFAOYSA-N 1 0 423.560 4.048 20 5 HIBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000302137105 854535861 /nfs/dbraw/zinc/53/58/61/854535861.db2.gz IFZJVQPEUHGGDU-UHFFFAOYSA-N 1 0 407.417 4.069 20 5 HIBDRO Cc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302192500 854547316 /nfs/dbraw/zinc/54/73/16/854547316.db2.gz RJIXJASFVWAMKJ-UHFFFAOYSA-N 1 0 424.526 4.088 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000302935221 854686869 /nfs/dbraw/zinc/68/68/69/854686869.db2.gz FXLOGOTXBMGESJ-QGZVFWFLSA-N 1 0 405.564 4.190 20 5 HIBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OCC[NH+](C)C)c1 ZINC000437340635 862613338 /nfs/dbraw/zinc/61/33/38/862613338.db2.gz FLZUHAJXWVODDC-UHFFFAOYSA-N 1 0 411.380 4.115 20 5 HIBDRO Cc1c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000303341371 854882246 /nfs/dbraw/zinc/88/22/46/854882246.db2.gz WFCDJKNSPZRPTH-UHFFFAOYSA-N 1 0 401.894 4.199 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)CC(C)C ZINC000303604740 855073432 /nfs/dbraw/zinc/07/34/32/855073432.db2.gz QKHNIYFPKSNCDT-IBGZPJMESA-N 1 0 407.558 4.027 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000303754847 855175363 /nfs/dbraw/zinc/17/53/63/855175363.db2.gz MUBXLQSGHMTQAL-DOTOQJQBSA-N 1 0 401.894 4.373 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC(c4ccc(Br)cc4)C3)nc2c1 ZINC000425996656 856036929 /nfs/dbraw/zinc/03/69/29/856036929.db2.gz RSQQJJIDFKWIRJ-UHFFFAOYSA-N 1 0 401.264 4.269 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426269215 856212028 /nfs/dbraw/zinc/21/20/28/856212028.db2.gz SMXNIOOJYNLRDG-UHFFFAOYSA-N 1 0 422.529 4.455 20 5 HIBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000426562414 856349763 /nfs/dbraw/zinc/34/97/63/856349763.db2.gz RZXBKECBKUSJBV-HNNXBMFYSA-N 1 0 419.909 4.193 20 5 HIBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000426568353 856353648 /nfs/dbraw/zinc/35/36/48/856353648.db2.gz OYKSHEHLCHHVGS-IBGZPJMESA-N 1 0 424.545 4.048 20 5 HIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ncc(Br)cc1F ZINC000427894386 856996726 /nfs/dbraw/zinc/99/67/26/856996726.db2.gz QNGIVDVZLNXIHX-VIFPVBQESA-N 1 0 402.651 4.438 20 5 HIBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000428080244 857065350 /nfs/dbraw/zinc/06/53/50/857065350.db2.gz YQWCESQSOBIYMQ-NRFANRHFSA-N 1 0 406.486 4.183 20 5 HIBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000428459547 857208990 /nfs/dbraw/zinc/20/89/90/857208990.db2.gz MMBKOYQIBZANHQ-QHCPKHFHSA-N 1 0 414.502 4.167 20 5 HIBDRO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000437589175 862903390 /nfs/dbraw/zinc/90/33/90/862903390.db2.gz CWTGLPMWEHSWJP-OAHLLOKOSA-N 1 0 402.882 4.377 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429314126 857599662 /nfs/dbraw/zinc/59/96/62/857599662.db2.gz RFKMRKYVYNOILS-UHFFFAOYSA-N 1 0 418.497 4.372 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000429424276 857658820 /nfs/dbraw/zinc/65/88/20/857658820.db2.gz JMSPWPDQBKQLPH-GJZGRUSLSA-N 1 0 407.308 4.168 20 5 HIBDRO CCOC(=O)c1csc(C2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000429569326 857754623 /nfs/dbraw/zinc/75/46/23/857754623.db2.gz SDWXEOPMKUVGMB-AWEZNQCLSA-N 1 0 403.504 4.477 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000431032770 858411558 /nfs/dbraw/zinc/41/15/58/858411558.db2.gz LQTJGZAEXWRTGC-UHFFFAOYSA-N 1 0 420.307 4.128 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431071758 858434594 /nfs/dbraw/zinc/43/45/94/858434594.db2.gz BUXRNXOULCYAIF-GDBMZVCRSA-N 1 0 402.882 4.423 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431945868 858881865 /nfs/dbraw/zinc/88/18/65/858881865.db2.gz LFZPHWZFADGZNU-GJZGRUSLSA-N 1 0 424.339 4.084 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433156619 859544941 /nfs/dbraw/zinc/54/49/41/859544941.db2.gz JSFVRKGJKVQOJW-OAQYLSRUSA-N 1 0 411.477 4.351 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@]3(O)CCO[C@H]3C)cc2[N+](=O)[O-])c1 ZINC000433188230 859559086 /nfs/dbraw/zinc/55/90/86/859559086.db2.gz BQGOKGJDFDLTQX-GAJHUEQPSA-N 1 0 414.502 4.448 20 5 HIBDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433297987 859623798 /nfs/dbraw/zinc/62/37/98/859623798.db2.gz MYRDXSXJWIVCGO-YWZLYKJASA-N 1 0 402.516 4.159 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H](c3ccccc3)C3(CO)CCC3)o2)c1 ZINC000433301354 859625479 /nfs/dbraw/zinc/62/54/79/859625479.db2.gz VGWMBIWNLNUARU-JOCHJYFZSA-N 1 0 407.470 4.286 20 5 HIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433307127 859629072 /nfs/dbraw/zinc/62/90/72/859629072.db2.gz UNNPNKLJFMFWPL-AVRDEDQJSA-N 1 0 407.514 4.141 20 5 HIBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000467722685 881521805 /nfs/dbraw/zinc/52/18/05/881521805.db2.gz ZHEIIYGAKWZOQA-CQSZACIVSA-N 1 0 419.934 4.423 20 5 HIBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000434336556 860297595 /nfs/dbraw/zinc/29/75/95/860297595.db2.gz ZKTXEGJYLHGKLV-HXUWFJFHSA-N 1 0 419.485 4.107 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000437928763 863305438 /nfs/dbraw/zinc/30/54/38/863305438.db2.gz AFNUNGPYHBWIIA-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO CC[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000437935586 863310563 /nfs/dbraw/zinc/31/05/63/863310563.db2.gz SJYOZKHLUHLSOJ-OAQYLSRUSA-N 1 0 422.529 4.106 20 5 HIBDRO COCCO[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000438547841 863976533 /nfs/dbraw/zinc/97/65/33/863976533.db2.gz UBYSSYQAXMOTMV-SFHVURJKSA-N 1 0 406.866 4.278 20 5 HIBDRO Cc1ccc(Sc2ccc(C[N@@H+](C)CC3(O)CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000438551541 863981673 /nfs/dbraw/zinc/98/16/73/863981673.db2.gz FCTISRXGTSSQOF-UHFFFAOYSA-N 1 0 402.516 4.028 20 5 HIBDRO CC(C)C1CCC([NH+]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000438559264 863991975 /nfs/dbraw/zinc/99/19/75/863991975.db2.gz XMZKYBPJPUUZEA-UHFFFAOYSA-N 1 0 422.957 4.019 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccccc1 ZINC000438837119 864330913 /nfs/dbraw/zinc/33/09/13/864330913.db2.gz IDTJLIZNSYSGOZ-JOCLIGHLSA-N 1 0 415.877 4.085 20 5 HIBDRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065520 864516377 /nfs/dbraw/zinc/51/63/77/864516377.db2.gz AUEBVWKTJMXLPB-HRAATJIYSA-N 1 0 411.506 4.063 20 5 HIBDRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065522 864517686 /nfs/dbraw/zinc/51/76/86/864517686.db2.gz AUEBVWKTJMXLPB-IIBYNOLFSA-N 1 0 411.506 4.063 20 5 HIBDRO CC(C)c1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000439424922 864827587 /nfs/dbraw/zinc/82/75/87/864827587.db2.gz WBIRGWVGUULDFP-FQEVSTJZSA-N 1 0 423.513 4.436 20 5 HIBDRO COc1cccc(NC(=O)[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000467970579 881827632 /nfs/dbraw/zinc/82/76/32/881827632.db2.gz QMEWKZRTRIFRAH-QFIPXVFZSA-N 1 0 405.454 4.116 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000439884215 865196356 /nfs/dbraw/zinc/19/63/56/865196356.db2.gz SPHZVSHHAYBSAX-WMZOPIPTSA-N 1 0 412.490 4.026 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000439910600 865219552 /nfs/dbraw/zinc/21/95/52/865219552.db2.gz HVWKGINBKJWLFF-SJORKVTESA-N 1 0 404.511 4.112 20 5 HIBDRO 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 867808690 /nfs/dbraw/zinc/80/86/90/867808690.db2.gz IZKJEJCQEZYOHB-ICPLQIHGSA-N 1 0 410.518 4.165 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443201505 867872939 /nfs/dbraw/zinc/87/29/39/867872939.db2.gz VTNCMGACASTILK-GHMZBOCLSA-N 1 0 412.309 4.487 20 5 HIBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444007960 868529914 /nfs/dbraw/zinc/52/99/14/868529914.db2.gz ICQWHOJAVFTFFG-KRWDZBQOSA-N 1 0 405.542 4.312 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444032479 868566117 /nfs/dbraw/zinc/56/61/17/868566117.db2.gz PUNWKRQVJURYOH-FQEVSTJZSA-N 1 0 411.505 4.076 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444172839 868649274 /nfs/dbraw/zinc/64/92/74/868649274.db2.gz SEXPSTBEXMFVNJ-UHFFFAOYSA-N 1 0 423.532 4.308 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000444175543 868650801 /nfs/dbraw/zinc/65/08/01/868650801.db2.gz KRIGBKZGVAEEIO-KUHUBIRLSA-N 1 0 401.438 4.154 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444178423 868652242 /nfs/dbraw/zinc/65/22/42/868652242.db2.gz AHJRMRNDXSUVMT-WIYYLYMNSA-N 1 0 405.542 4.312 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000444727877 868979571 /nfs/dbraw/zinc/97/95/71/868979571.db2.gz DLWCCBDRDBMBCZ-JTQLQIEISA-N 1 0 412.671 4.300 20 5 HIBDRO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445814558 869836394 /nfs/dbraw/zinc/83/63/94/869836394.db2.gz ZHCGJCAFXHZIQE-DJJJIMSYSA-N 1 0 423.498 4.181 20 5 HIBDRO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445814559 869836678 /nfs/dbraw/zinc/83/66/78/869836678.db2.gz ZHCGJCAFXHZIQE-ORAYPTAESA-N 1 0 423.498 4.181 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000446046462 870009182 /nfs/dbraw/zinc/00/91/82/870009182.db2.gz MUFSSJPBRMFHDC-UHFFFAOYSA-N 1 0 409.530 4.368 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000446484010 870398206 /nfs/dbraw/zinc/39/82/06/870398206.db2.gz FYKNSKKPLXKMBV-INIZCTEOSA-N 1 0 422.407 4.318 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000446487793 870400235 /nfs/dbraw/zinc/40/02/35/870400235.db2.gz FUKJVFFPWITKEX-KNQAVFIVSA-N 1 0 408.502 4.422 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000446977769 870875304 /nfs/dbraw/zinc/87/53/04/870875304.db2.gz RIRYBXGMWBZFHV-SJCJKPOMSA-N 1 0 400.422 4.459 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)CCC2 ZINC000447529183 871392205 /nfs/dbraw/zinc/39/22/05/871392205.db2.gz KUEDAKKYQCIQEX-APWZRJJASA-N 1 0 410.392 4.021 20 5 HIBDRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447530068 871395871 /nfs/dbraw/zinc/39/58/71/871395871.db2.gz NDSLVARWRYMRRC-MGPUTAFESA-N 1 0 400.475 4.357 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccccc1 ZINC000447541836 871407939 /nfs/dbraw/zinc/40/79/39/871407939.db2.gz NUPVNDQMVDMZHY-LEWJYISDSA-N 1 0 419.485 4.317 20 5 HIBDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447545479 871417373 /nfs/dbraw/zinc/41/73/73/871417373.db2.gz XCYVBFSDBOXYEW-QZTJIDSGSA-N 1 0 400.479 4.020 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447726387 871674295 /nfs/dbraw/zinc/67/42/95/871674295.db2.gz GOAQLHCZSDPEDM-WBMJQRKESA-N 1 0 419.865 4.039 20 5 HIBDRO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447886227 871801182 /nfs/dbraw/zinc/80/11/82/871801182.db2.gz OTIOKJLAYFPDIZ-AVYPCKFXSA-N 1 0 417.893 4.333 20 5 HIBDRO [NH3+]CCC[C@@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccccc1 ZINC000448549778 872555195 /nfs/dbraw/zinc/55/51/95/872555195.db2.gz HTODBTRJVQQVBV-MRXNPFEDSA-N 1 0 415.291 4.220 20 5 HIBDRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460344955 872962029 /nfs/dbraw/zinc/96/20/29/872962029.db2.gz DRDIVAZOJLRONA-JOCHJYFZSA-N 1 0 411.527 4.081 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000468595621 882686529 /nfs/dbraw/zinc/68/65/29/882686529.db2.gz AISLRYJBMWQYNB-FERCGXDMSA-N 1 0 407.449 4.000 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000468638076 882773272 /nfs/dbraw/zinc/77/32/72/882773272.db2.gz MLUXFYRMYQXILV-BOPFTXTBSA-N 1 0 410.470 4.065 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000468641641 882777991 /nfs/dbraw/zinc/77/79/91/882777991.db2.gz LVIAXJPHMGRQNW-PEJLPUCESA-N 1 0 423.513 4.037 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000468652741 882786569 /nfs/dbraw/zinc/78/65/69/882786569.db2.gz KBTPVYVIFMFHSF-HKBKRHGFSA-N 1 0 403.429 4.468 20 5 HIBDRO COCC[C@@H]1CCCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000468697518 882819271 /nfs/dbraw/zinc/81/92/71/882819271.db2.gz SZBOMPXDDZNNLN-AWEZNQCLSA-N 1 0 420.428 4.183 20 5 HIBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000461474016 874529162 /nfs/dbraw/zinc/52/91/62/874529162.db2.gz YAAMZKLICPLOCJ-SFHVURJKSA-N 1 0 406.486 4.108 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462158498 875254178 /nfs/dbraw/zinc/25/41/78/875254178.db2.gz LXZDPGYXLJSYMQ-OXJNMPFZSA-N 1 0 413.543 4.346 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551170 875675029 /nfs/dbraw/zinc/67/50/29/875675029.db2.gz MKLDRZZLRSQUFK-KKSFZXQISA-N 1 0 408.527 4.328 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000462557347 875682698 /nfs/dbraw/zinc/68/26/98/875682698.db2.gz UNCDZDHNMRYKOG-OFNKIYASSA-N 1 0 418.497 4.495 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000462752491 875818253 /nfs/dbraw/zinc/81/82/53/875818253.db2.gz AKPNUTNRVGMFFG-IEBWSBKVSA-N 1 0 401.532 4.178 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000462766602 875827642 /nfs/dbraw/zinc/82/76/42/875827642.db2.gz XZWYOTLAVGBUOY-NRFANRHFSA-N 1 0 401.551 4.278 20 5 HIBDRO COc1cc(C[N@H+](C(C)C)[C@@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462872332 875902724 /nfs/dbraw/zinc/90/27/24/875902724.db2.gz DWERZCKKUZMOJK-HXUWFJFHSA-N 1 0 400.475 4.182 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462921278 875950678 /nfs/dbraw/zinc/95/06/78/875950678.db2.gz DZWVTOSIXBAVAT-MOPGFXCFSA-N 1 0 415.559 4.253 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000462994569 876007830 /nfs/dbraw/zinc/00/78/30/876007830.db2.gz PPEBBSPCSZTSLU-GOSISDBHSA-N 1 0 410.518 4.308 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463135293 876182912 /nfs/dbraw/zinc/18/29/12/876182912.db2.gz AEZKCXHPOXTZSE-UHFFFAOYSA-N 1 0 421.419 4.316 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161217 876215526 /nfs/dbraw/zinc/21/55/26/876215526.db2.gz MXFZTKUMMICTHI-BBRMVZONSA-N 1 0 407.392 4.179 20 5 HIBDRO CN(CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000463337886 876393478 /nfs/dbraw/zinc/39/34/78/876393478.db2.gz YAZJAZJCRRYKMR-UHFFFAOYSA-N 1 0 410.518 4.434 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463755827 876878510 /nfs/dbraw/zinc/87/85/10/876878510.db2.gz OKHVPIOXQSNHAP-INIZCTEOSA-N 1 0 413.440 4.388 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000463957859 877081191 /nfs/dbraw/zinc/08/11/91/877081191.db2.gz HNHSHMLJVZFZGU-INIZCTEOSA-N 1 0 402.520 4.307 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463980443 877111426 /nfs/dbraw/zinc/11/14/26/877111426.db2.gz ZCUVFGDTJWIQAK-LJQANCHMSA-N 1 0 411.506 4.125 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000464733597 877968523 /nfs/dbraw/zinc/96/85/23/877968523.db2.gz JWLSPUXNVSHIPC-KUHUBIRLSA-N 1 0 401.438 4.154 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000464778133 878022307 /nfs/dbraw/zinc/02/23/07/878022307.db2.gz QWOVITXZECBPDF-HXUWFJFHSA-N 1 0 422.481 4.031 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464840396 878109677 /nfs/dbraw/zinc/10/96/77/878109677.db2.gz UNGAWJZUTMTHJG-MJGOQNOKSA-N 1 0 421.501 4.160 20 5 HIBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000464935347 878264497 /nfs/dbraw/zinc/26/44/97/878264497.db2.gz SOALALLPHCNDBU-KRWDZBQOSA-N 1 0 416.909 4.027 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503411833 912393458 /nfs/dbraw/zinc/39/34/58/912393458.db2.gz QWQYTFNJWAYPDQ-DOTOQJQBSA-N 1 0 422.489 4.118 20 5 HIBDRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000465634912 879148537 /nfs/dbraw/zinc/14/85/37/879148537.db2.gz NPCRYNKJUJTTIU-GMBSWORKSA-N 1 0 402.520 4.100 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000465640176 879154566 /nfs/dbraw/zinc/15/45/66/879154566.db2.gz QQODVLLBQCJBOT-AZUAARDMSA-N 1 0 410.518 4.209 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)o2)c1 ZINC000503437573 912445861 /nfs/dbraw/zinc/44/58/61/912445861.db2.gz MUDDOQNSFMAXLO-GOSISDBHSA-N 1 0 421.501 4.205 20 5 HIBDRO Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000466462246 880244176 /nfs/dbraw/zinc/24/41/76/880244176.db2.gz KZMMHQOFJIPJNI-UHFFFAOYSA-N 1 0 419.869 4.091 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000466571222 880347118 /nfs/dbraw/zinc/34/71/18/880347118.db2.gz BSTGRWXZUOISRR-QGZVFWFLSA-N 1 0 410.927 4.192 20 5 HIBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466627631 880400586 /nfs/dbraw/zinc/40/05/86/880400586.db2.gz MMDRDFNVBUCMFE-CQSZACIVSA-N 1 0 417.918 4.366 20 5 HIBDRO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000503526612 912576632 /nfs/dbraw/zinc/57/66/32/912576632.db2.gz GZAZIYQOQHUKFE-FZKQIMNGSA-N 1 0 424.423 4.104 20 5 HIBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000466816938 880591002 /nfs/dbraw/zinc/59/10/02/880591002.db2.gz PMRRUDBMNHREJW-AWEZNQCLSA-N 1 0 419.934 4.471 20 5 HIBDRO C[N@H+](C[C@H]1CCCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140689 880883458 /nfs/dbraw/zinc/88/34/58/880883458.db2.gz ZBEYYJYRWZCJLN-QRWLVFNGSA-N 1 0 417.893 4.286 20 5 HIBDRO COc1cc(C[N@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000467390016 881172269 /nfs/dbraw/zinc/17/22/69/881172269.db2.gz UBYVVPBYTQNDAA-IBGZPJMESA-N 1 0 400.475 4.183 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)CCC2 ZINC000467409405 881194552 /nfs/dbraw/zinc/19/45/52/881194552.db2.gz WYAFEEHIOSYOJA-FQEVSTJZSA-N 1 0 401.894 4.252 20 5 HIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cccc1[N+](=O)[O-] ZINC000469100754 883191157 /nfs/dbraw/zinc/19/11/57/883191157.db2.gz UEBNFZVUCLRIJF-AUUYWEPGSA-N 1 0 403.429 4.023 20 5 HIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(-n2ccnc2)c1 ZINC000469778667 883953280 /nfs/dbraw/zinc/95/32/80/883953280.db2.gz FNJXFBQZBVTUPF-MRXNPFEDSA-N 1 0 403.442 4.329 20 5 HIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469934069 884129535 /nfs/dbraw/zinc/12/95/35/884129535.db2.gz VFNGAZSVRCVXRW-FQEVSTJZSA-N 1 0 403.526 4.105 20 5 HIBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000470122466 884383571 /nfs/dbraw/zinc/38/35/71/884383571.db2.gz MJZPCAUTUDYUFF-UWJYYQICSA-N 1 0 412.465 4.252 20 5 HIBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470127520 884390804 /nfs/dbraw/zinc/39/08/04/884390804.db2.gz COPCRSKSARJWRI-KZULUSFZSA-N 1 0 424.835 4.341 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000470129829 884393327 /nfs/dbraw/zinc/39/33/27/884393327.db2.gz ASOLHXZMIFFOMT-UHFFFAOYSA-N 1 0 408.458 4.002 20 5 HIBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000470845970 885342337 /nfs/dbraw/zinc/34/23/37/885342337.db2.gz WGVZSPLYFKCWMT-UHFFFAOYSA-N 1 0 405.882 4.454 20 5 HIBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471003753 885504743 /nfs/dbraw/zinc/50/47/43/885504743.db2.gz ANARAYSAIWIRQN-GOSISDBHSA-N 1 0 409.408 4.393 20 5 HIBDRO Cc1ccc([C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccn2)cc1 ZINC000471079364 885606019 /nfs/dbraw/zinc/60/60/19/885606019.db2.gz ASZGSJQXVCWNKA-HSZRJFAPSA-N 1 0 404.470 4.314 20 5 HIBDRO CCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473492436 888212924 /nfs/dbraw/zinc/21/29/24/888212924.db2.gz ATORAEDFKCJZAS-XMMPIXPASA-N 1 0 407.514 4.286 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473519603 888252331 /nfs/dbraw/zinc/25/23/31/888252331.db2.gz BUTBKQOXWSTKLS-UHFFFAOYSA-N 1 0 419.831 4.092 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1[N+](=O)[O-] ZINC000474363766 889241985 /nfs/dbraw/zinc/24/19/85/889241985.db2.gz WZRWYEGBDBNKFX-QFIPXVFZSA-N 1 0 416.449 4.307 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)cc1[N+](=O)[O-] ZINC000474367629 889246365 /nfs/dbraw/zinc/24/63/65/889246365.db2.gz FTPJZTLRBVQVRV-UHFFFAOYSA-N 1 0 418.877 4.359 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+]C(c2cccs2)c2cccs2)cc1[N+](=O)[O-] ZINC000474370992 889249090 /nfs/dbraw/zinc/24/90/90/889249090.db2.gz KXIJVZXZKDMIOV-UHFFFAOYSA-N 1 0 418.496 4.149 20 5 HIBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000474830218 889688196 /nfs/dbraw/zinc/68/81/96/889688196.db2.gz FWRHKXFECCISEC-JOCHJYFZSA-N 1 0 413.905 4.377 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000475192555 890062529 /nfs/dbraw/zinc/06/25/29/890062529.db2.gz QXFCXAFQECDEOY-WBMJQRKESA-N 1 0 412.412 4.094 20 5 HIBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475199234 890067597 /nfs/dbraw/zinc/06/75/97/890067597.db2.gz SYYRBNZYCSPVSG-UHFFFAOYSA-N 1 0 423.395 4.047 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@]3(CO)Cc3ccccc3)cs2)c1 ZINC000475375182 890303757 /nfs/dbraw/zinc/30/37/57/890303757.db2.gz OZUJJEQHIJNHIV-QFIPXVFZSA-N 1 0 409.511 4.288 20 5 HIBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477079838 892014602 /nfs/dbraw/zinc/01/46/02/892014602.db2.gz DUORSWMYWGDWCP-UHFFFAOYSA-N 1 0 418.497 4.204 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000504893217 913623014 /nfs/dbraw/zinc/62/30/14/913623014.db2.gz CYXYNKQKESAAKE-KGLIPLIRSA-N 1 0 404.463 4.431 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000504894801 913625661 /nfs/dbraw/zinc/62/56/61/913625661.db2.gz OHYISVCLUWMTTQ-AEFFLSMTSA-N 1 0 421.588 4.190 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000504905786 913638180 /nfs/dbraw/zinc/63/81/80/913638180.db2.gz NSDNLJOXABDJKS-INIZCTEOSA-N 1 0 401.482 4.448 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000504911651 913644409 /nfs/dbraw/zinc/64/44/09/913644409.db2.gz JMMDWRMQFANABI-QZTJIDSGSA-N 1 0 401.532 4.275 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478235971 893399006 /nfs/dbraw/zinc/39/90/06/893399006.db2.gz LUCYWEVKXWFCSG-INIZCTEOSA-N 1 0 404.511 4.112 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478332762 893568786 /nfs/dbraw/zinc/56/87/86/893568786.db2.gz CPOXDAQZUKTKJA-GOSISDBHSA-N 1 0 401.551 4.376 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000478352118 893599346 /nfs/dbraw/zinc/59/93/46/893599346.db2.gz UNVDQQXOOXOLSA-SFHVURJKSA-N 1 0 412.534 4.053 20 5 HIBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000478671245 893920527 /nfs/dbraw/zinc/92/05/27/893920527.db2.gz TZXDWIYOKZYVBE-ZWKOTPCHSA-N 1 0 410.518 4.200 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000478941140 894222989 /nfs/dbraw/zinc/22/29/89/894222989.db2.gz STAQPMDHGUIEHY-LJQANCHMSA-N 1 0 401.532 4.376 20 5 HIBDRO Cc1c(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000479778384 895080617 /nfs/dbraw/zinc/08/06/17/895080617.db2.gz XAORSGWRZPLLCX-SFHVURJKSA-N 1 0 424.423 4.024 20 5 HIBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000480024327 895372975 /nfs/dbraw/zinc/37/29/75/895372975.db2.gz YSCIMZNPWCQMIC-OXJNMPFZSA-N 1 0 411.502 4.037 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccc1 ZINC000480507538 895875295 /nfs/dbraw/zinc/87/52/95/895875295.db2.gz AREDUVJLXGROAB-MRXNPFEDSA-N 1 0 421.501 4.101 20 5 HIBDRO CCOc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505351886 914017319 /nfs/dbraw/zinc/01/73/19/914017319.db2.gz UUPDZEVEKSSBCD-IRXDYDNUSA-N 1 0 416.522 4.055 20 5 HIBDRO CCOc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505351884 914017927 /nfs/dbraw/zinc/01/79/27/914017927.db2.gz UUPDZEVEKSSBCD-CALCHBBNSA-N 1 0 416.522 4.055 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)c1ccccn1 ZINC000480877613 896236031 /nfs/dbraw/zinc/23/60/31/896236031.db2.gz IRXMOBBSZIAZQU-JOCHJYFZSA-N 1 0 416.481 4.353 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000481476704 896863152 /nfs/dbraw/zinc/86/31/52/896863152.db2.gz ARVWZBCOQVMFCK-VLIAUNLRSA-N 1 0 405.882 4.251 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000482214740 897694723 /nfs/dbraw/zinc/69/47/23/897694723.db2.gz TZGWCFFUOKQMGL-QHCPKHFHSA-N 1 0 408.502 4.342 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000482357904 897873192 /nfs/dbraw/zinc/87/31/92/897873192.db2.gz YHBNNTRCEGHLCU-UHFFFAOYSA-N 1 0 402.520 4.442 20 5 HIBDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496670 898077609 /nfs/dbraw/zinc/07/76/09/898077609.db2.gz RWYKYFOTBCFLJZ-ZBFHGGJFSA-N 1 0 422.865 4.051 20 5 HIBDRO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000482501476 898082398 /nfs/dbraw/zinc/08/23/98/898082398.db2.gz SEUUVSRJBVDZGH-QGZVFWFLSA-N 1 0 410.518 4.099 20 5 HIBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482503408 898085415 /nfs/dbraw/zinc/08/54/15/898085415.db2.gz FJSAXQUVRKWNNT-VQIMIIECSA-N 1 0 416.522 4.198 20 5 HIBDRO O=[N+]([O-])c1cc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)cs1 ZINC000482543667 898131858 /nfs/dbraw/zinc/13/18/58/898131858.db2.gz LQOVETDBACGUKI-UHFFFAOYSA-N 1 0 423.542 4.028 20 5 HIBDRO COc1cc(C[NH+]2CCC(Cc3cccnc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505586216 914292890 /nfs/dbraw/zinc/29/28/90/914292890.db2.gz ICTSFEBRNBADJV-UHFFFAOYSA-N 1 0 421.444 4.097 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000483420255 899050574 /nfs/dbraw/zinc/05/05/74/899050574.db2.gz QWLWAYQBIRBZSG-QHCPKHFHSA-N 1 0 424.501 4.123 20 5 HIBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483596858 899246997 /nfs/dbraw/zinc/24/69/97/899246997.db2.gz WCNVLEAJQDTTSN-PZJWPPBQSA-N 1 0 418.497 4.203 20 5 HIBDRO CC[NH+]1CCN(c2cccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)CC1 ZINC000483823690 899501111 /nfs/dbraw/zinc/50/11/11/899501111.db2.gz QAFCSXXVLLTPJO-UHFFFAOYSA-N 1 0 423.542 4.472 20 5 HIBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)c1 ZINC000484298614 899861251 /nfs/dbraw/zinc/86/12/51/899861251.db2.gz UWBCDYPMWLCCOP-UHFFFAOYSA-N 1 0 415.515 4.066 20 5 HIBDRO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000484330836 899884052 /nfs/dbraw/zinc/88/40/52/899884052.db2.gz UXRJDVDVRJUYAS-KRWDZBQOSA-N 1 0 424.482 4.030 20 5 HIBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484969731 900329541 /nfs/dbraw/zinc/32/95/41/900329541.db2.gz NHRZWZJUMLSVHZ-SJORKVTESA-N 1 0 415.877 4.397 20 5 HIBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485162933 900461635 /nfs/dbraw/zinc/46/16/35/900461635.db2.gz SRJHNLGMBCCQMB-AZUAARDMSA-N 1 0 422.529 4.153 20 5 HIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)nc1-c1ccc(F)cc1 ZINC000485399422 900697487 /nfs/dbraw/zinc/69/74/87/900697487.db2.gz PFVJQIPSXRMGIZ-UHFFFAOYSA-N 1 0 407.449 4.267 20 5 HIBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485546577 900822299 /nfs/dbraw/zinc/82/22/99/900822299.db2.gz NQRDISWXXLVEON-UHFFFAOYSA-N 1 0 415.409 4.007 20 5 HIBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cc(F)cc(Br)c1 ZINC000485828425 901074446 /nfs/dbraw/zinc/07/44/46/901074446.db2.gz JZKYQLAXIBEVOB-INIZCTEOSA-N 1 0 424.270 4.484 20 5 HIBDRO CSc1cccc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000486398669 901560420 /nfs/dbraw/zinc/56/04/20/901560420.db2.gz GWIJWNWEPCNJEV-UHFFFAOYSA-N 1 0 413.543 4.301 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486466374 901627806 /nfs/dbraw/zinc/62/78/06/901627806.db2.gz XBHXJYLQCUAHSX-RQPNIASVSA-N 1 0 408.502 4.387 20 5 HIBDRO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487185567 902091371 /nfs/dbraw/zinc/09/13/71/902091371.db2.gz MGFGXHMEEWMVJP-SIKLNZKXSA-N 1 0 424.545 4.127 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487810586 902379371 /nfs/dbraw/zinc/37/93/71/902379371.db2.gz RWFLRDLVWYKGEH-QZTJIDSGSA-N 1 0 405.564 4.190 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000488083669 902590783 /nfs/dbraw/zinc/59/07/83/902590783.db2.gz PPQMIPFFOXMWID-SFHVURJKSA-N 1 0 411.527 4.446 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000489143083 903227712 /nfs/dbraw/zinc/22/77/12/903227712.db2.gz UAWRNMBGTUDKJI-APWZRJJASA-N 1 0 400.479 4.002 20 5 HIBDRO Cc1ccc([C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000489200702 903259433 /nfs/dbraw/zinc/25/94/33/903259433.db2.gz UMMRAIYARWNWFK-QFIPXVFZSA-N 1 0 408.502 4.044 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000489530489 903441259 /nfs/dbraw/zinc/44/12/59/903441259.db2.gz DNVFGPYHDLVNFN-IEBWSBKVSA-N 1 0 410.518 4.182 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489877719 903647831 /nfs/dbraw/zinc/64/78/31/903647831.db2.gz ZSBBODDHYXPYMV-UHFFFAOYSA-N 1 0 408.502 4.065 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000489936597 903686990 /nfs/dbraw/zinc/68/69/90/903686990.db2.gz RZEQRRUGBOAJMM-INIZCTEOSA-N 1 0 401.532 4.347 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000489967471 903701389 /nfs/dbraw/zinc/70/13/89/903701389.db2.gz YPHJDADLJASHLM-IBGZPJMESA-N 1 0 419.909 4.377 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000489968636 903703002 /nfs/dbraw/zinc/70/30/02/903703002.db2.gz XOFFSHBBVSJORP-OAHLLOKOSA-N 1 0 400.454 4.389 20 5 HIBDRO COc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000490026799 903729958 /nfs/dbraw/zinc/72/99/58/903729958.db2.gz AJRDLXMFVVBBSS-KRWDZBQOSA-N 1 0 411.502 4.001 20 5 HIBDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490151291 903795006 /nfs/dbraw/zinc/79/50/06/903795006.db2.gz HJLINVVHVJNCAD-OAQYLSRUSA-N 1 0 421.501 4.439 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)c2ccccc2)c1 ZINC000490164523 903805498 /nfs/dbraw/zinc/80/54/98/903805498.db2.gz OGQKSJXEFJMMKK-HSZRJFAPSA-N 1 0 424.522 4.279 20 5 HIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342794 903935617 /nfs/dbraw/zinc/93/56/17/903935617.db2.gz VOPJFRRTFNDWFS-KBPBESRZSA-N 1 0 404.479 4.353 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000506148723 914825096 /nfs/dbraw/zinc/82/50/96/914825096.db2.gz TZSOQLLMUKEURF-CQSZACIVSA-N 1 0 405.380 4.036 20 5 HIBDRO Cc1c(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000491541818 904643398 /nfs/dbraw/zinc/64/33/98/904643398.db2.gz VZUWZKHBLUUSBW-IBGZPJMESA-N 1 0 407.392 4.296 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000491603990 904670934 /nfs/dbraw/zinc/67/09/34/904670934.db2.gz IBBWKSUUUXRMCD-SFHVURJKSA-N 1 0 407.474 4.158 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)ccc1[N+](=O)[O-] ZINC000491767877 904694935 /nfs/dbraw/zinc/69/49/35/904694935.db2.gz WRNSTVLCPHCCLJ-NSHDSACASA-N 1 0 400.401 4.220 20 5 HIBDRO COc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515568 904862684 /nfs/dbraw/zinc/86/26/84/904862684.db2.gz OFJVYKIIHWZFJN-LJQANCHMSA-N 1 0 420.391 4.198 20 5 HIBDRO CCOc1cc(C[NH2+]C(C)(C)COc2ncccc2Br)ccc1[N+](=O)[O-] ZINC000492721850 904893395 /nfs/dbraw/zinc/89/33/95/904893395.db2.gz LOMZWPQGXDSMJD-UHFFFAOYSA-N 1 0 424.295 4.098 20 5 HIBDRO CCOc1cc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000492721848 904893633 /nfs/dbraw/zinc/89/36/33/904893633.db2.gz LOAXLVMQFVMNBO-UHFFFAOYSA-N 1 0 407.474 4.158 20 5 HIBDRO NC(=O)CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Cc1ccccc1 ZINC000506257640 914868278 /nfs/dbraw/zinc/86/82/78/914868278.db2.gz DUYYITIPAOJOQM-UHFFFAOYSA-N 1 0 413.861 4.386 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345117 905092649 /nfs/dbraw/zinc/09/26/49/905092649.db2.gz VVWXZARUMMHFDQ-JXFKEZNVSA-N 1 0 411.527 4.221 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c([N+](=O)[O-])c2)cc1 ZINC000493637052 905177977 /nfs/dbraw/zinc/17/79/77/905177977.db2.gz URSBYVKULOKETB-QUCCMNQESA-N 1 0 408.502 4.076 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000493800303 905220898 /nfs/dbraw/zinc/22/08/98/905220898.db2.gz ZXBDETRTRODXHP-NQIIRXRSSA-N 1 0 415.396 4.190 20 5 HIBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493949156 905298339 /nfs/dbraw/zinc/29/83/39/905298339.db2.gz JQQVVCLGKIXDMI-UHFFFAOYSA-N 1 0 413.543 4.379 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2ccccc2)c1 ZINC000493991421 905334614 /nfs/dbraw/zinc/33/46/14/905334614.db2.gz UOWOIJOXQUXTIH-WXFUMESZSA-N 1 0 409.530 4.042 20 5 HIBDRO CCc1cc(N2CCC[C@H]([NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000494037370 905378900 /nfs/dbraw/zinc/37/89/00/905378900.db2.gz GTAMRPWTIDMUCI-XUZZJYLKSA-N 1 0 417.513 4.295 20 5 HIBDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000494375487 905672201 /nfs/dbraw/zinc/67/22/01/905672201.db2.gz QEDHAUXVJYJLDH-BQFCYCMXSA-N 1 0 406.490 4.145 20 5 HIBDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494452683 905735419 /nfs/dbraw/zinc/73/54/19/905735419.db2.gz OSNYNDHMTSQBCO-LBPRGKRZSA-N 1 0 411.380 4.129 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494479365 905761547 /nfs/dbraw/zinc/76/15/47/905761547.db2.gz VNNLTWVTZBFSBL-PXNSSMCTSA-N 1 0 421.856 4.144 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494493579 905778980 /nfs/dbraw/zinc/77/89/80/905778980.db2.gz JEUMAANEDADRDW-BOFPYLFWSA-N 1 0 403.866 4.003 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494492770 905779270 /nfs/dbraw/zinc/77/92/70/905779270.db2.gz MFURASJJRLCNIN-KHDYIWLOSA-N 1 0 421.856 4.143 20 5 HIBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000512470515 921182824 /nfs/dbraw/zinc/18/28/24/921182824.db2.gz YWTXNBBCOYIEAZ-MRXNPFEDSA-N 1 0 401.532 4.452 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494678733 905895618 /nfs/dbraw/zinc/89/56/18/905895618.db2.gz FVGIMNVIHLEUFI-INIZCTEOSA-N 1 0 421.444 4.006 20 5 HIBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000512521612 921212566 /nfs/dbraw/zinc/21/25/66/921212566.db2.gz HNZPAXAEEULDPT-AWEZNQCLSA-N 1 0 405.882 4.246 20 5 HIBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495104587 906243232 /nfs/dbraw/zinc/24/32/32/906243232.db2.gz YJNOTKOANHHQPN-ROUUACIJSA-N 1 0 411.502 4.024 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3CCO)o2)c(Br)c1 ZINC000495177130 906288087 /nfs/dbraw/zinc/28/80/87/906288087.db2.gz YUZWAWWAMLRZGC-YVEFUNNKSA-N 1 0 409.280 4.258 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCO)o2)c(Br)c1 ZINC000495177128 906288837 /nfs/dbraw/zinc/28/88/37/906288837.db2.gz YUZWAWWAMLRZGC-SJKOYZFVSA-N 1 0 409.280 4.258 20 5 HIBDRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000497600399 907080459 /nfs/dbraw/zinc/08/04/59/907080459.db2.gz ZOTHAVFPTQIZPF-UHFFFAOYSA-N 1 0 411.502 4.101 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000498040382 907545306 /nfs/dbraw/zinc/54/53/06/907545306.db2.gz VXIQADKBDAQGMT-SFHVURJKSA-N 1 0 405.882 4.070 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498128863 907647790 /nfs/dbraw/zinc/64/77/90/907647790.db2.gz FQBXXEIKLQAIRG-HKUYNNGSSA-N 1 0 418.497 4.268 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000498141155 907663232 /nfs/dbraw/zinc/66/32/32/907663232.db2.gz VGWSGQZGZHMSNR-QFIPXVFZSA-N 1 0 411.527 4.467 20 5 HIBDRO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000513001317 921466944 /nfs/dbraw/zinc/46/69/44/921466944.db2.gz FFKFQOIEIFTZLH-UHFFFAOYSA-N 1 0 404.898 4.094 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500846294 910121065 /nfs/dbraw/zinc/12/10/65/910121065.db2.gz YZDSQJYFKDOWFC-CRAIPNDOSA-N 1 0 422.510 4.284 20 5 HIBDRO CC(C)[NH2+]C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000513100514 921550263 /nfs/dbraw/zinc/55/02/63/921550263.db2.gz KMNYGMHBQSKLFY-UHFFFAOYSA-N 1 0 419.529 4.410 20 5 HIBDRO CC[NH+](CC)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccsc1 ZINC000513181607 921606117 /nfs/dbraw/zinc/60/61/17/921606117.db2.gz ACRFUQLRWGUFMY-LJQANCHMSA-N 1 0 402.520 4.044 20 5 HIBDRO CC(C)[NH+]1CCC(N(C)c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000502093396 911031482 /nfs/dbraw/zinc/03/14/82/911031482.db2.gz SDSVRIQIOMVBLM-UHFFFAOYSA-N 1 0 407.312 4.215 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502284000 911237707 /nfs/dbraw/zinc/23/77/07/911237707.db2.gz LLZCNHMAFKQKFO-ZLPCBKJTSA-N 1 0 423.941 4.175 20 5 HIBDRO CSc1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000502609951 911631896 /nfs/dbraw/zinc/63/18/96/911631896.db2.gz MAQCVQXZKMTJBZ-UHFFFAOYSA-N 1 0 400.504 4.075 20 5 HIBDRO COc1c(Cl)cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Cl ZINC000506289161 914886482 /nfs/dbraw/zinc/88/64/82/914886482.db2.gz LVSVHMIQYKXOSS-UHFFFAOYSA-N 1 0 407.213 4.348 20 5 HIBDRO O=C(c1ccccc1F)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506433857 915036062 /nfs/dbraw/zinc/03/60/62/915036062.db2.gz PHXAPJKWODISNG-UHFFFAOYSA-N 1 0 423.444 4.342 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506472722 915072354 /nfs/dbraw/zinc/07/23/54/915072354.db2.gz GSEIMUXDKHILOF-KURKYZTESA-N 1 0 413.522 4.292 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000506925869 915726479 /nfs/dbraw/zinc/72/64/79/915726479.db2.gz ACMQLZHFMQXMDL-UHFFFAOYSA-N 1 0 418.291 4.273 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2C(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000507146604 915889269 /nfs/dbraw/zinc/88/92/69/915889269.db2.gz WMHCTKAFTWCCGP-IBGZPJMESA-N 1 0 416.522 4.198 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCCc2cc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000507164781 915903513 /nfs/dbraw/zinc/90/35/13/915903513.db2.gz LBNWDIVZGZCTKZ-KRWDZBQOSA-N 1 0 422.485 4.450 20 5 HIBDRO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCC2 ZINC000507920057 916800215 /nfs/dbraw/zinc/80/02/15/916800215.db2.gz QJRYBWWIEYVXIE-SFHVURJKSA-N 1 0 412.515 4.333 20 5 HIBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000507931489 916805472 /nfs/dbraw/zinc/80/54/72/916805472.db2.gz VFCZIAGACYMXSL-AWEZNQCLSA-N 1 0 405.882 4.435 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000507949619 916812300 /nfs/dbraw/zinc/81/23/00/916812300.db2.gz MFCYARMPBZDOJH-INIZCTEOSA-N 1 0 423.444 4.321 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)c1 ZINC000508042989 916872411 /nfs/dbraw/zinc/87/24/11/916872411.db2.gz SDMPOTINOOPNCX-QGZVFWFLSA-N 1 0 400.385 4.270 20 5 HIBDRO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570288 917343060 /nfs/dbraw/zinc/34/30/60/917343060.db2.gz PDEVIYCQJJSYRV-MGPUTAFESA-N 1 0 421.419 4.227 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508588039 917359173 /nfs/dbraw/zinc/35/91/73/917359173.db2.gz MQBILKATHQEJFQ-UHFFFAOYSA-N 1 0 413.543 4.194 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000508619609 917385687 /nfs/dbraw/zinc/38/56/87/917385687.db2.gz HBLNKSNZWNOKQO-UHFFFAOYSA-N 1 0 412.273 4.374 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 ZINC000508843190 917594894 /nfs/dbraw/zinc/59/48/94/917594894.db2.gz SJWJGSKFKWEBOT-HSZRJFAPSA-N 1 0 412.486 4.196 20 5 HIBDRO CCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509186519 917895231 /nfs/dbraw/zinc/89/52/31/917895231.db2.gz RDSSFNBXKORUHY-IBGZPJMESA-N 1 0 411.502 4.120 20 5 HIBDRO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000509346895 918011371 /nfs/dbraw/zinc/01/13/71/918011371.db2.gz YOYCBOLMTADRTR-GOSISDBHSA-N 1 0 407.474 4.434 20 5 HIBDRO CC[NH+](CC)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000509676486 918307656 /nfs/dbraw/zinc/30/76/56/918307656.db2.gz VCQLGJDTTHAAIR-SFHVURJKSA-N 1 0 409.408 4.313 20 5 HIBDRO Cc1cc(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c2ccccc2[nH+]1 ZINC000509874056 918475222 /nfs/dbraw/zinc/47/52/22/918475222.db2.gz QODKNDHUPRWFBX-UHFFFAOYSA-N 1 0 402.458 4.044 20 5 HIBDRO Cc1ccc2[nH+]ccc(N3CCCN(c4nc5cc([N+](=O)[O-])ccc5[nH]4)CC3)c2c1 ZINC000509927799 918527740 /nfs/dbraw/zinc/52/77/40/918527740.db2.gz QITZXKOXUQDNBI-UHFFFAOYSA-N 1 0 402.458 4.044 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@@H+]1Cc1ccccc1 ZINC000510111823 918672846 /nfs/dbraw/zinc/67/28/46/918672846.db2.gz FMESCZDJZYSSRD-WMZOPIPTSA-N 1 0 407.470 4.372 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000510917973 919430907 /nfs/dbraw/zinc/43/09/07/919430907.db2.gz XJGDZLDGAJKFEU-LJQANCHMSA-N 1 0 424.545 4.211 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511248589 919848430 /nfs/dbraw/zinc/84/84/30/919848430.db2.gz JHHJDNYUAKTCFG-CVEARBPZSA-N 1 0 405.564 4.480 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000511491647 920101781 /nfs/dbraw/zinc/10/17/81/920101781.db2.gz OLZVMLRPNDWCIE-GOSISDBHSA-N 1 0 410.518 4.004 20 5 HIBDRO C[C@H]1C[C@@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@@H+]1Cc1ccccc1 ZINC000511642883 920307893 /nfs/dbraw/zinc/30/78/93/920307893.db2.gz KNESGAHHTBJAHX-FUHWJXTLSA-N 1 0 408.502 4.192 20 5 HIBDRO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511646492 920314939 /nfs/dbraw/zinc/31/49/39/920314939.db2.gz HHZMZDUMXLTCIX-JOCHJYFZSA-N 1 0 406.486 4.177 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)o2)c1 ZINC000511765089 920449653 /nfs/dbraw/zinc/44/96/53/920449653.db2.gz LXZCGXIRKLNRFL-VSKRKVRLSA-N 1 0 419.481 4.297 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCN(c4nccs4)CC3)s2)cc1 ZINC000511765079 920449909 /nfs/dbraw/zinc/44/99/09/920449909.db2.gz LSRLCGCLRBMTMV-UHFFFAOYSA-N 1 0 400.529 4.492 20 5 HIBDRO CC[NH+](CC)CCn1c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc2ccccc21 ZINC000512041222 920812682 /nfs/dbraw/zinc/81/26/82/920812682.db2.gz OZBVXFUIDYILGQ-UHFFFAOYSA-N 1 0 420.473 4.020 20 5 HIBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000512136276 920882343 /nfs/dbraw/zinc/88/23/43/920882343.db2.gz CMZXIQDQZWWKEF-UHFFFAOYSA-N 1 0 424.545 4.355 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000512213406 920960800 /nfs/dbraw/zinc/96/08/00/920960800.db2.gz RGUYXUDUMLXJFW-LEDOBFOHSA-N 1 0 422.529 4.142 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000513787052 922112066 /nfs/dbraw/zinc/11/20/66/922112066.db2.gz SGGGIJNUYNBSGI-KXBFYZLASA-N 1 0 422.934 4.023 20 5 HIBDRO COC1CCN(C2(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000513832149 922159274 /nfs/dbraw/zinc/15/92/74/922159274.db2.gz DMZQDDHFKDOPMP-UGKGYDQZSA-N 1 0 415.578 4.319 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[NH+]2CCCC2)o1 ZINC000513989968 922311598 /nfs/dbraw/zinc/31/15/98/922311598.db2.gz QPCJMFMEAAVDCB-OAHLLOKOSA-N 1 0 424.404 4.056 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000514065904 922390456 /nfs/dbraw/zinc/39/04/56/922390456.db2.gz GTPZMUDDGPGJSZ-GOSISDBHSA-N 1 0 400.475 4.230 20 5 HIBDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000514117499 922449746 /nfs/dbraw/zinc/44/97/46/922449746.db2.gz XIHBGHOYADULJN-LJQANCHMSA-N 1 0 413.474 4.086 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000514339006 922600282 /nfs/dbraw/zinc/60/02/82/922600282.db2.gz WZYOHLLQZZOQAZ-LJQANCHMSA-N 1 0 416.547 4.048 20 5 HIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000514695411 922761873 /nfs/dbraw/zinc/76/18/73/922761873.db2.gz BAOHQTRCBVOKIX-INIZCTEOSA-N 1 0 422.485 4.123 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000515018223 922880144 /nfs/dbraw/zinc/88/01/44/922880144.db2.gz BTAKRQMYYMGVAC-UHFFFAOYSA-N 1 0 406.364 4.348 20 5 HIBDRO COc1ccccc1[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCCC1 ZINC000515502886 923136348 /nfs/dbraw/zinc/13/63/48/923136348.db2.gz QSPOSGIYFKTUPG-NRFANRHFSA-N 1 0 424.501 4.127 20 5 HIBDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000515502547 923137321 /nfs/dbraw/zinc/13/73/21/923137321.db2.gz AGAAQRQMTFZFJL-MRXNPFEDSA-N 1 0 422.428 4.421 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3OC)n2)cc1 ZINC000515915266 923432135 /nfs/dbraw/zinc/43/21/35/923432135.db2.gz YNMRTCRWHQJEPP-UHFFFAOYSA-N 1 0 412.446 4.041 20 5 HIBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000516386115 923705461 /nfs/dbraw/zinc/70/54/61/923705461.db2.gz BMEWXBQLLTWBSB-IBGZPJMESA-N 1 0 424.545 4.449 20 5 HIBDRO C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000517500337 924231659 /nfs/dbraw/zinc/23/16/59/924231659.db2.gz PBOWNWUVLQYPAH-AVRDEDQJSA-N 1 0 410.518 4.428 20 5 HIBDRO Cc1cccc([C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N2CCOCC2)c1 ZINC000517536043 924252783 /nfs/dbraw/zinc/25/27/83/924252783.db2.gz PHDKGPYFPAUMLJ-HSZRJFAPSA-N 1 0 421.497 4.326 20 5 HIBDRO Cc1noc(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 ZINC000518275610 927132966 /nfs/dbraw/zinc/13/29/66/927132966.db2.gz NPGKVIWPTPQKTL-UHFFFAOYSA-N 1 0 421.251 4.031 20 5 HIBDRO COc1c(C)cnc(CN2CCC([N@H+](C)C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000518440794 927273170 /nfs/dbraw/zinc/27/31/70/927273170.db2.gz ASONLCRGDRPXMW-CLFYSBASSA-N 1 0 424.545 4.225 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)s1 ZINC000518750044 927473826 /nfs/dbraw/zinc/47/38/26/927473826.db2.gz DGPAOJBAEYGYSB-QFIPXVFZSA-N 1 0 423.538 4.486 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(O)CCCCC2)cc1 ZINC000518772571 927486842 /nfs/dbraw/zinc/48/68/42/927486842.db2.gz MYAYBYMGGSUFDB-UHFFFAOYSA-N 1 0 406.486 4.232 20 5 HIBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000520660172 928705974 /nfs/dbraw/zinc/70/59/74/928705974.db2.gz IAPOZRDKGWPLKD-OAHLLOKOSA-N 1 0 405.882 4.246 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520951691 928886815 /nfs/dbraw/zinc/88/68/15/928886815.db2.gz IGOSFZRSUBJLOC-HNNXBMFYSA-N 1 0 410.474 4.075 20 5 HIBDRO CC1(C)CN(CC[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000520958753 928889497 /nfs/dbraw/zinc/88/94/97/928889497.db2.gz GMMNJVAXCSYKLL-UHFFFAOYSA-N 1 0 419.909 4.241 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520963506 928891970 /nfs/dbraw/zinc/89/19/70/928891970.db2.gz NGHZJRPEHZGVTJ-OAQYLSRUSA-N 1 0 414.502 4.213 20 5 HIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCSCCOc2cccc(Br)c2)c1 ZINC000521172723 929043389 /nfs/dbraw/zinc/04/33/89/929043389.db2.gz BMBXBIVCRJORGZ-UHFFFAOYSA-N 1 0 411.321 4.259 20 5 HIBDRO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000521195716 929055374 /nfs/dbraw/zinc/05/53/74/929055374.db2.gz QEBXMILOORBTCU-GOSISDBHSA-N 1 0 412.408 4.264 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000521248856 929080644 /nfs/dbraw/zinc/08/06/44/929080644.db2.gz DXCHDJCIOWMYQA-RHSMWYFYSA-N 1 0 415.877 4.027 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)C1 ZINC000521552019 929291654 /nfs/dbraw/zinc/29/16/54/929291654.db2.gz QYUUEKCDKJJIOZ-KRWDZBQOSA-N 1 0 406.486 4.420 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000525551267 930319851 /nfs/dbraw/zinc/31/98/51/930319851.db2.gz HMBURRSNEHXWHI-FOIQADDNSA-N 1 0 414.531 4.044 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000526120840 930539509 /nfs/dbraw/zinc/53/95/09/930539509.db2.gz YXSAFOBCLUNQTH-SFHVURJKSA-N 1 0 406.866 4.014 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000530728434 930809707 /nfs/dbraw/zinc/80/97/07/930809707.db2.gz XGTWQRSJGAAALT-STQMWFEESA-N 1 0 406.280 4.344 20 5 HIBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000530933785 930862212 /nfs/dbraw/zinc/86/22/12/930862212.db2.gz RCWNHWFEXDUDSS-AZMQUPJVSA-N 1 0 406.504 4.033 20 5 HIBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000530933788 930862269 /nfs/dbraw/zinc/86/22/69/930862269.db2.gz RCWNHWFEXDUDSS-PLKVCZNGSA-N 1 0 406.504 4.033 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000530966081 930870283 /nfs/dbraw/zinc/87/02/83/930870283.db2.gz FWIFWWPJEVFAPG-UONOGXRCSA-N 1 0 407.873 4.393 20 5 HIBDRO CC(C)OCCN1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000531108086 930923220 /nfs/dbraw/zinc/92/32/20/930923220.db2.gz UFIAVAVXPWVZGB-UHFFFAOYSA-N 1 0 403.548 4.302 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531864602 931227579 /nfs/dbraw/zinc/22/75/79/931227579.db2.gz OXXCQJSAWCXKFT-NJDAHSKKSA-N 1 0 412.486 4.230 20 5 HIBDRO CCC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531951790 931262090 /nfs/dbraw/zinc/26/20/90/931262090.db2.gz CBGAJOLPADWVII-OAQYLSRUSA-N 1 0 419.547 4.054 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCS(=O)(=O)c3ccc(F)cc3)s2)cc1 ZINC000532209718 931352401 /nfs/dbraw/zinc/35/24/01/931352401.db2.gz QACDOFLAFWMMCD-UHFFFAOYSA-N 1 0 420.487 4.026 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000532460179 931444500 /nfs/dbraw/zinc/44/45/00/931444500.db2.gz UBACBVMYXIRMPD-IAGOWNOFSA-N 1 0 419.547 4.346 20 5 HIBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532467215 931448533 /nfs/dbraw/zinc/44/85/33/931448533.db2.gz VVIZMLYUCYFQRT-HNNXBMFYSA-N 1 0 416.524 4.448 20 5 HIBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532467216 931448715 /nfs/dbraw/zinc/44/87/15/931448715.db2.gz VVIZMLYUCYFQRT-OAHLLOKOSA-N 1 0 416.524 4.448 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532615620 931555122 /nfs/dbraw/zinc/55/51/22/931555122.db2.gz FSLYURFLUGDKDL-OPAMFIHVSA-N 1 0 400.475 4.018 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCN(Cc4ccc(F)cc4)CC3)o2)c1 ZINC000532900180 931685557 /nfs/dbraw/zinc/68/55/57/931685557.db2.gz NMTMXIQVDFXLLK-UHFFFAOYSA-N 1 0 424.476 4.139 20 5 HIBDRO Cc1c(NC(=O)CC[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000532919284 931694776 /nfs/dbraw/zinc/69/47/76/931694776.db2.gz VEENWECPPHVMOR-UHFFFAOYSA-N 1 0 419.428 4.053 20 5 HIBDRO COc1ccc2[nH]cc(C3=CC[N@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000533028091 931745181 /nfs/dbraw/zinc/74/51/81/931745181.db2.gz FYZAILHRVMQKHP-UHFFFAOYSA-N 1 0 420.469 4.203 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000533479071 931879463 /nfs/dbraw/zinc/87/94/63/931879463.db2.gz JFAHURGTBXENDQ-UHFFFAOYSA-N 1 0 403.438 4.272 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000533956593 932131190 /nfs/dbraw/zinc/13/11/90/932131190.db2.gz OGZPWVWGSNUTAK-KRWDZBQOSA-N 1 0 403.866 4.039 20 5 HIBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000534106788 932281764 /nfs/dbraw/zinc/28/17/64/932281764.db2.gz PHYCMULBMFWCHB-UHFFFAOYSA-N 1 0 406.486 4.346 20 5 HIBDRO CCc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1[N+](=O)[O-] ZINC000534231363 932351418 /nfs/dbraw/zinc/35/14/18/932351418.db2.gz LETQBCJNFADOBN-UHFFFAOYSA-N 1 0 407.514 4.286 20 5 HIBDRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000534476354 932506151 /nfs/dbraw/zinc/50/61/51/932506151.db2.gz NNMRCOYNCUCDAF-CQSZACIVSA-N 1 0 402.520 4.065 20 5 HIBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000534870976 932816491 /nfs/dbraw/zinc/81/64/91/932816491.db2.gz SKQXMRYJSXUUON-NRFANRHFSA-N 1 0 415.852 4.270 20 5 HIBDRO C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1)c1ccccc1 ZINC000535398348 933115513 /nfs/dbraw/zinc/11/55/13/933115513.db2.gz KRWXIBLODPNNJA-QGZVFWFLSA-N 1 0 420.513 4.398 20 5 HIBDRO COc1cccc(NC(=O)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000535411083 933122484 /nfs/dbraw/zinc/12/24/84/933122484.db2.gz JKCQURBEIUJOIL-JOCHJYFZSA-N 1 0 405.454 4.116 20 5 HIBDRO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCN(c2ccccn2)CC1 ZINC000535556529 933240846 /nfs/dbraw/zinc/24/08/46/933240846.db2.gz VRVGIZSYUREMQV-UHFFFAOYSA-N 1 0 421.501 4.383 20 5 HIBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535668901 933314527 /nfs/dbraw/zinc/31/45/27/933314527.db2.gz NKDRPVFEZWEACT-UHFFFAOYSA-N 1 0 413.905 4.377 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535800196 933395161 /nfs/dbraw/zinc/39/51/61/933395161.db2.gz VHCKWCQPXGZDKE-FPOVZHCZSA-N 1 0 412.486 4.183 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCNc2ccccn2)cc1 ZINC000537506019 933796873 /nfs/dbraw/zinc/79/68/73/933796873.db2.gz AVHPIZPKSQOBDO-UHFFFAOYSA-N 1 0 414.469 4.044 20 5 HIBDRO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618780 938335335 /nfs/dbraw/zinc/33/53/35/938335335.db2.gz KQIDHCUAWDDSHS-UTKZUKDTSA-N 1 0 413.518 4.097 20 5 HIBDRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1)N1CCCC1 ZINC000537627703 938339191 /nfs/dbraw/zinc/33/91/91/938339191.db2.gz BAASRQOWFYPKHC-OAHLLOKOSA-N 1 0 417.893 4.343 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000537963539 938436660 /nfs/dbraw/zinc/43/66/60/938436660.db2.gz NVVQCSJVGAJPCO-UKRRQHHQSA-N 1 0 406.508 4.154 20 5 HIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000537967822 938438563 /nfs/dbraw/zinc/43/85/63/938438563.db2.gz BXZKSOTTZWRHBC-INIZCTEOSA-N 1 0 418.515 4.041 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000537973921 938443247 /nfs/dbraw/zinc/44/32/47/938443247.db2.gz GSAAEOOHXJMRQO-SFHVURJKSA-N 1 0 407.580 4.090 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538070752 938494049 /nfs/dbraw/zinc/49/40/49/938494049.db2.gz RKHYOHPAOZEFOW-SFHVURJKSA-N 1 0 404.555 4.445 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538124212 938510824 /nfs/dbraw/zinc/51/08/24/938510824.db2.gz CVSZXLLXPJFNTN-QUCCMNQESA-N 1 0 400.475 4.087 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000538232484 938567336 /nfs/dbraw/zinc/56/73/36/938567336.db2.gz BWYKOIMZJSSQRD-INIZCTEOSA-N 1 0 420.469 4.345 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000538322960 938592506 /nfs/dbraw/zinc/59/25/06/938592506.db2.gz HLKZTDWNHZCVKY-RNODOKPDSA-N 1 0 401.438 4.119 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000538391023 938609418 /nfs/dbraw/zinc/60/94/18/938609418.db2.gz XJXGSWSQDBKSIG-GOSISDBHSA-N 1 0 403.454 4.064 20 5 HIBDRO Cc1cnc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc1 ZINC000538421166 938616419 /nfs/dbraw/zinc/61/64/19/938616419.db2.gz MCUFAKXZEASOAL-UHFFFAOYSA-N 1 0 417.263 4.048 20 5 HIBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCN(c2ccccn2)CC1 ZINC000538718572 938690246 /nfs/dbraw/zinc/69/02/46/938690246.db2.gz ABENQORJYLKPJR-UHFFFAOYSA-N 1 0 420.460 4.330 20 5 HIBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000538729836 938694696 /nfs/dbraw/zinc/69/46/96/938694696.db2.gz ZFIOTUGRPGUZMO-LJQANCHMSA-N 1 0 400.475 4.041 20 5 HIBDRO CCN(CC(=O)Nc1c(C)cccc1C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538738496 938697696 /nfs/dbraw/zinc/69/76/96/938697696.db2.gz YYAAETUWQZDKAA-UHFFFAOYSA-N 1 0 421.501 4.073 20 5 HIBDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539037248 938776540 /nfs/dbraw/zinc/77/65/40/938776540.db2.gz IORMRMOJTWJQBJ-CYBMUJFWSA-N 1 0 400.504 4.479 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000539075479 938795232 /nfs/dbraw/zinc/79/52/32/938795232.db2.gz HDSUBVJQUOQRCE-LBPRGKRZSA-N 1 0 411.380 4.129 20 5 HIBDRO CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539074922 938795452 /nfs/dbraw/zinc/79/54/52/938795452.db2.gz KFMVHCZJKLJVOL-OAQYLSRUSA-N 1 0 419.547 4.256 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000539090773 938800739 /nfs/dbraw/zinc/80/07/39/938800739.db2.gz QSCUIRFFQIGABG-QGZVFWFLSA-N 1 0 407.470 4.229 20 5 HIBDRO CC[N@H+](CCC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000539097785 938802533 /nfs/dbraw/zinc/80/25/33/938802533.db2.gz YZXBJHXSHUHULZ-SFHVURJKSA-N 1 0 404.555 4.002 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000539326968 938842259 /nfs/dbraw/zinc/84/22/59/938842259.db2.gz RLMOHDQOOVHNKV-OAQYLSRUSA-N 1 0 401.438 4.202 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000539338691 938844658 /nfs/dbraw/zinc/84/46/58/938844658.db2.gz HVBRBJWMEZRUTC-OPAMFIHVSA-N 1 0 402.454 4.113 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(Br)c2OC(F)F)cc1 ZINC000539633240 938891250 /nfs/dbraw/zinc/89/12/50/938891250.db2.gz SARMANJWUNQHAE-UHFFFAOYSA-N 1 0 401.207 4.291 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539635536 938891436 /nfs/dbraw/zinc/89/14/36/938891436.db2.gz SYYPPJVRDQZAIK-LSDHHAIUSA-N 1 0 420.428 4.228 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000539689377 938902177 /nfs/dbraw/zinc/90/21/77/938902177.db2.gz JIKLBILLBPSWQO-INIZCTEOSA-N 1 0 417.469 4.339 20 5 HIBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000539831122 938951267 /nfs/dbraw/zinc/95/12/67/938951267.db2.gz TXUOBGSPZSDYLP-LJQANCHMSA-N 1 0 400.475 4.041 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540066505 939056916 /nfs/dbraw/zinc/05/69/16/939056916.db2.gz JZJDQWRQEYALKX-UGKGYDQZSA-N 1 0 414.502 4.476 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)C1CC1 ZINC000540153722 939093676 /nfs/dbraw/zinc/09/36/76/939093676.db2.gz NIMZXNAYXPZYHK-HSZRJFAPSA-N 1 0 410.514 4.401 20 5 HIBDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000540347828 939202155 /nfs/dbraw/zinc/20/21/55/939202155.db2.gz YIRKFVXPGGOMOQ-QZTJIDSGSA-N 1 0 410.518 4.387 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCC ZINC000540367722 939212601 /nfs/dbraw/zinc/21/26/01/939212601.db2.gz GXSRKMHADPNEAS-CYBMUJFWSA-N 1 0 421.881 4.335 20 5 HIBDRO COc1ccc2cc(CN(C)C(=O)C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000540376365 939217478 /nfs/dbraw/zinc/21/74/78/939217478.db2.gz PTBWWFRSTZUKPD-INIZCTEOSA-N 1 0 407.470 4.066 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000540391467 939230295 /nfs/dbraw/zinc/23/02/95/939230295.db2.gz XIWTXTDUMSBATP-INIZCTEOSA-N 1 0 401.532 4.346 20 5 HIBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1)C[C@H]1CCCCO1 ZINC000540419562 939241897 /nfs/dbraw/zinc/24/18/97/939241897.db2.gz IVWNETOOSYUKLR-HXUWFJFHSA-N 1 0 412.490 4.022 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000540511237 939282523 /nfs/dbraw/zinc/28/25/23/939282523.db2.gz MRQRCNLNDLTBRO-CALCHBBNSA-N 1 0 410.518 4.143 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540523215 939287926 /nfs/dbraw/zinc/28/79/26/939287926.db2.gz HHSFAVJITGIFIS-OAQYLSRUSA-N 1 0 401.438 4.120 20 5 HIBDRO Cn1cc(C[NH2+]CCc2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540609339 939318831 /nfs/dbraw/zinc/31/88/31/939318831.db2.gz QZKGDDAUNBLVDG-UHFFFAOYSA-N 1 0 415.291 4.090 20 5 HIBDRO O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540613796 939320140 /nfs/dbraw/zinc/32/01/40/939320140.db2.gz SWRLJINOLWNJIG-XXIOWLSESA-N 1 0 415.493 4.125 20 5 HIBDRO COc1ccc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541103978 939461574 /nfs/dbraw/zinc/46/15/74/939461574.db2.gz VJCRPNRQCDVGMD-SJLPKXTDSA-N 1 0 412.490 4.026 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000541263052 939488256 /nfs/dbraw/zinc/48/82/56/939488256.db2.gz VADFFENWOFMFBJ-MJGOQNOKSA-N 1 0 413.543 4.198 20 5 HIBDRO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541270947 939488601 /nfs/dbraw/zinc/48/86/01/939488601.db2.gz YTRSXHUWVNXIRP-ZIAGYGMSSA-N 1 0 411.955 4.110 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3CCCCS3(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000541383650 939502315 /nfs/dbraw/zinc/50/23/15/939502315.db2.gz LXFLPRWSGYPCTK-SFHVURJKSA-N 1 0 420.556 4.111 20 5 HIBDRO CCc1ccc([C@H](NCC(C)(C)[NH+]2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545560 939550145 /nfs/dbraw/zinc/55/01/45/939550145.db2.gz JSHOHVHWAVOKOU-JOCHJYFZSA-N 1 0 415.534 4.319 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549147 939551336 /nfs/dbraw/zinc/55/13/36/939551336.db2.gz MOMHFNGAUCQICY-LIRRHRJNSA-N 1 0 411.424 4.313 20 5 HIBDRO CC(C)([C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000541552363 939553257 /nfs/dbraw/zinc/55/32/57/939553257.db2.gz HFFVCPYWEQYAME-LJQANCHMSA-N 1 0 421.419 4.358 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541606318 939567439 /nfs/dbraw/zinc/56/74/39/939567439.db2.gz ZLMKPHLNABPYHN-HNNXBMFYSA-N 1 0 417.506 4.333 20 5 HIBDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000541634233 939577938 /nfs/dbraw/zinc/57/79/38/939577938.db2.gz QHWHXUUVBXYUNN-DZKIICNBSA-N 1 0 412.408 4.135 20 5 HIBDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000541654443 939589445 /nfs/dbraw/zinc/58/94/45/939589445.db2.gz TXPPDPGUWNCAHN-NSHDSACASA-N 1 0 414.462 4.116 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000541773386 939627171 /nfs/dbraw/zinc/62/71/71/939627171.db2.gz BGXGTWWEYUTODX-UHFFFAOYSA-N 1 0 403.866 4.113 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H](CO)c3ccc(C(F)(F)F)cc3)o2)c1 ZINC000541952845 939660795 /nfs/dbraw/zinc/66/07/95/939660795.db2.gz VXYCHSJEWCCWKA-QGZVFWFLSA-N 1 0 421.375 4.134 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000542195049 939752513 /nfs/dbraw/zinc/75/25/13/939752513.db2.gz QXPLNBXIEJIFKH-IBGZPJMESA-N 1 0 413.543 4.058 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000542212917 939758963 /nfs/dbraw/zinc/75/89/63/939758963.db2.gz SDAQQADMJLRTOM-JOCHJYFZSA-N 1 0 419.481 4.061 20 5 HIBDRO CCc1ccc([C@@H](NCC2([NH+]3CCCC3)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542474590 939829067 /nfs/dbraw/zinc/82/90/67/939829067.db2.gz KDUWWISJKXJJSB-QFIPXVFZSA-N 1 0 413.518 4.074 20 5 HIBDRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542510619 939834783 /nfs/dbraw/zinc/83/47/83/939834783.db2.gz MAALXQQSRGDWLZ-JENIJYKNSA-N 1 0 413.493 4.349 20 5 HIBDRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542532082 939838588 /nfs/dbraw/zinc/83/85/88/939838588.db2.gz LSTGGDRZJRATBH-AWEZNQCLSA-N 1 0 403.479 4.025 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542591356 939847132 /nfs/dbraw/zinc/84/71/32/939847132.db2.gz ZPZWSGMQKCHLRN-RHSMWYFYSA-N 1 0 413.499 4.117 20 5 HIBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000542624299 939849914 /nfs/dbraw/zinc/84/99/14/939849914.db2.gz HAUQKBYRJQEEDG-CYBMUJFWSA-N 1 0 403.891 4.489 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000542631487 939850453 /nfs/dbraw/zinc/85/04/53/939850453.db2.gz DIFONTBICBUCHS-RXVVDRJESA-N 1 0 415.465 4.223 20 5 HIBDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000542678776 939853594 /nfs/dbraw/zinc/85/35/94/939853594.db2.gz HWUALRJGJMHDPG-FQEVSTJZSA-N 1 0 402.472 4.102 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000563740037 945277433 /nfs/dbraw/zinc/27/74/33/945277433.db2.gz PSABUCSZYNOJQO-SECBINFHSA-N 1 0 414.318 4.446 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000543238664 940004450 /nfs/dbraw/zinc/00/44/50/940004450.db2.gz LRYAPCHYFPKKJY-QGZVFWFLSA-N 1 0 424.906 4.097 20 5 HIBDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543453969 940067808 /nfs/dbraw/zinc/06/78/08/940067808.db2.gz WLILBXQLZWCYPG-RTBURBONSA-N 1 0 412.511 4.278 20 5 HIBDRO C[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543455835 940068191 /nfs/dbraw/zinc/06/81/91/940068191.db2.gz FCVQTORWWGUURV-AOIWGVFYSA-N 1 0 413.493 4.254 20 5 HIBDRO C[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543455837 940068382 /nfs/dbraw/zinc/06/83/82/940068382.db2.gz FCVQTORWWGUURV-LNLFQRSKSA-N 1 0 413.493 4.254 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H](C)c1ccccc1 ZINC000543469040 940074236 /nfs/dbraw/zinc/07/42/36/940074236.db2.gz HBVVEEAUHQESAZ-LSDHHAIUSA-N 1 0 410.499 4.439 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000543519476 940094183 /nfs/dbraw/zinc/09/41/83/940094183.db2.gz YKILTAMEQDMDMD-CQSZACIVSA-N 1 0 410.499 4.340 20 5 HIBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543556584 940107753 /nfs/dbraw/zinc/10/77/53/940107753.db2.gz FXLNRXREVDVEGV-VQIMIIECSA-N 1 0 421.856 4.178 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543904322 940235284 /nfs/dbraw/zinc/23/52/84/940235284.db2.gz MKBSUFKOSNWABR-HNNXBMFYSA-N 1 0 420.916 4.380 20 5 HIBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)c21 ZINC000544394723 940410849 /nfs/dbraw/zinc/41/08/49/940410849.db2.gz RAMSRVBISQCEHK-UYAOXDASSA-N 1 0 403.486 4.029 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)c1ccccc1C(F)(F)F ZINC000544453771 940437484 /nfs/dbraw/zinc/43/74/84/940437484.db2.gz QKSQLKZSVOHACU-UONOGXRCSA-N 1 0 421.419 4.285 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544490436 940455151 /nfs/dbraw/zinc/45/51/51/940455151.db2.gz JRIOAGZRFXCKQD-KDOFPFPSSA-N 1 0 413.499 4.117 20 5 HIBDRO CC(C)(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000545155822 940551895 /nfs/dbraw/zinc/55/18/95/940551895.db2.gz YATAYSPITGSZJK-UHFFFAOYSA-N 1 0 419.522 4.101 20 5 HIBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000545352911 940564053 /nfs/dbraw/zinc/56/40/53/940564053.db2.gz LIGKZINJMODRDE-XLIONFOSSA-N 1 0 406.866 4.324 20 5 HIBDRO CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545478278 940571485 /nfs/dbraw/zinc/57/14/85/940571485.db2.gz VFWOKPKZYITJOI-KRWDZBQOSA-N 1 0 421.419 4.350 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000545828724 940618316 /nfs/dbraw/zinc/61/83/16/940618316.db2.gz CQOGNZKXYABNIX-LIRRHRJNSA-N 1 0 419.522 4.272 20 5 HIBDRO Cn1cc(C(C)(C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000545996818 940672159 /nfs/dbraw/zinc/67/21/59/940672159.db2.gz WYZBSZLNEFOQHH-UHFFFAOYSA-N 1 0 416.485 4.206 20 5 HIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000546180958 940722526 /nfs/dbraw/zinc/72/25/26/940722526.db2.gz MRZCSMQVMSPVTK-IUCAKERBSA-N 1 0 401.307 4.261 20 5 HIBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)n1 ZINC000546249098 940748097 /nfs/dbraw/zinc/74/80/97/940748097.db2.gz IYJRNULNCHNVFY-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000550970521 941388211 /nfs/dbraw/zinc/38/82/11/941388211.db2.gz MPIUOFPRSVZEAP-ICSRJNTNSA-N 1 0 409.530 4.384 20 5 HIBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551250604 941436076 /nfs/dbraw/zinc/43/60/76/941436076.db2.gz OSRPCQIVSZEOFG-INIZCTEOSA-N 1 0 421.419 4.208 20 5 HIBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)nc1 ZINC000551557703 941501063 /nfs/dbraw/zinc/50/10/63/941501063.db2.gz GYJHEKDMWFBPJL-OAHLLOKOSA-N 1 0 415.906 4.453 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000552058730 941576237 /nfs/dbraw/zinc/57/62/37/941576237.db2.gz YAJAALUXUHGHLO-FDDCHVKYSA-N 1 0 419.529 4.233 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000552058733 941576364 /nfs/dbraw/zinc/57/63/64/941576364.db2.gz YAJAALUXUHGHLO-WZONZLPQSA-N 1 0 419.529 4.233 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cc(F)c(F)cc2Br)n1 ZINC000552096028 941584268 /nfs/dbraw/zinc/58/42/68/941584268.db2.gz NUYOSOWJFFMAJQ-GJZGRUSLSA-N 1 0 415.238 4.106 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000552680033 941735886 /nfs/dbraw/zinc/73/58/86/941735886.db2.gz CCUQNXJAZNOSEC-HSZRJFAPSA-N 1 0 405.454 4.079 20 5 HIBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000553791044 941969645 /nfs/dbraw/zinc/96/96/45/941969645.db2.gz QOARXFOHTNBPOW-KKSFZXQISA-N 1 0 411.527 4.445 20 5 HIBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000554413280 942132185 /nfs/dbraw/zinc/13/21/85/942132185.db2.gz YSNOXKGGEWJMNY-UHFFFAOYSA-N 1 0 413.905 4.377 20 5 HIBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555088282 942382576 /nfs/dbraw/zinc/38/25/76/942382576.db2.gz YYTASTQPLKDFKW-OAHLLOKOSA-N 1 0 413.421 4.242 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3ccnc3)o2)c([N+](=O)[O-])c1 ZINC000555198140 942427372 /nfs/dbraw/zinc/42/73/72/942427372.db2.gz LSBHGWAZHQUUPA-UHFFFAOYSA-N 1 0 418.453 4.398 20 5 HIBDRO C[NH+](C)CCOc1cccc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)c1 ZINC000556291589 942834141 /nfs/dbraw/zinc/83/41/41/942834141.db2.gz CBXBBURARPFDOF-UHFFFAOYSA-N 1 0 422.363 4.271 20 5 HIBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000556474411 942879312 /nfs/dbraw/zinc/87/93/12/942879312.db2.gz IHLNDBZTYUYGIA-CQSZACIVSA-N 1 0 409.408 4.254 20 5 HIBDRO Cn1ccnc1[C@H](NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556867882 942942995 /nfs/dbraw/zinc/94/29/95/942942995.db2.gz BLWKRLXHDOMTCE-FGZHOGPDSA-N 1 0 411.550 4.052 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000556873201 942946962 /nfs/dbraw/zinc/94/69/62/942946962.db2.gz UXAMAVIPDICFHV-UWJYYQICSA-N 1 0 407.518 4.137 20 5 HIBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000557245868 943059819 /nfs/dbraw/zinc/05/98/19/943059819.db2.gz BYRXQZAXZLXGIF-KRWDZBQOSA-N 1 0 421.501 4.028 20 5 HIBDRO CC[NH+](CC)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(OC)c1 ZINC000557473832 943152240 /nfs/dbraw/zinc/15/22/40/943152240.db2.gz UDONTACBWCXZNP-MRXNPFEDSA-N 1 0 401.492 4.103 20 5 HIBDRO C[NH+](C)CCOc1cccc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC000558336870 943513770 /nfs/dbraw/zinc/51/37/70/943513770.db2.gz YDOAPOLZWHXERZ-UHFFFAOYSA-N 1 0 414.437 4.050 20 5 HIBDRO COc1cc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000558790268 943664337 /nfs/dbraw/zinc/66/43/37/943664337.db2.gz LIDFOIACFYMRJG-CHWSQXEVSA-N 1 0 420.428 4.228 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000559984722 944111382 /nfs/dbraw/zinc/11/13/82/944111382.db2.gz VRGSCIKEMJLYJK-KXBFYZLASA-N 1 0 401.532 4.133 20 5 HIBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000560392700 944229645 /nfs/dbraw/zinc/22/96/45/944229645.db2.gz MBYRUXZTFRBTTH-PWSUYJOCSA-N 1 0 403.237 4.131 20 5 HIBDRO CCc1ccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000560678180 944291692 /nfs/dbraw/zinc/29/16/92/944291692.db2.gz RMGCPWBADRNKKV-UHFFFAOYSA-N 1 0 407.514 4.286 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564422473 945574439 /nfs/dbraw/zinc/57/44/39/945574439.db2.gz AUKDMWFCFOIJRO-WOJBJXKFSA-N 1 0 408.502 4.197 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000565736554 945874962 /nfs/dbraw/zinc/87/49/62/945874962.db2.gz GLMZAFIKDTZWOV-UWJYYQICSA-N 1 0 415.559 4.305 20 5 HIBDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328280 946509210 /nfs/dbraw/zinc/50/92/10/946509210.db2.gz OALMDMDULZAEER-MBSDFSHPSA-N 1 0 419.529 4.220 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000568569094 946604565 /nfs/dbraw/zinc/60/45/65/946604565.db2.gz CNZQPMACGYYOLP-INIZCTEOSA-N 1 0 422.485 4.123 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)cc1 ZINC000568678285 946649937 /nfs/dbraw/zinc/64/99/37/946649937.db2.gz VGTTWBGKCSWQSA-KRWDZBQOSA-N 1 0 413.861 4.301 20 5 HIBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000568800598 946701112 /nfs/dbraw/zinc/70/11/12/946701112.db2.gz OFHILJMKWGVCGI-HSZRJFAPSA-N 1 0 414.502 4.167 20 5 HIBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000568918964 946755533 /nfs/dbraw/zinc/75/55/33/946755533.db2.gz QCGZSUWEPFDRQH-UHFFFAOYSA-N 1 0 414.509 4.211 20 5 HIBDRO CC(C)c1ccc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000569164212 946829631 /nfs/dbraw/zinc/82/96/31/946829631.db2.gz AOMRLHXZKYTMOL-UHFFFAOYSA-N 1 0 404.470 4.229 20 5 HIBDRO CC(C)N1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000569870997 947027399 /nfs/dbraw/zinc/02/73/99/947027399.db2.gz PCELMUSZTATOBP-WIYYLYMNSA-N 1 0 415.444 4.063 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000570333619 947206010 /nfs/dbraw/zinc/20/60/10/947206010.db2.gz ADMFMUTUXIXVCC-UHFFFAOYSA-N 1 0 413.449 4.251 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000570502193 947269393 /nfs/dbraw/zinc/26/93/93/947269393.db2.gz DTUKZNOUTZRSLA-UGSOOPFHSA-N 1 0 420.307 4.087 20 5 HIBDRO O=C1[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1ccccc1Cl ZINC000570592632 947306187 /nfs/dbraw/zinc/30/61/87/947306187.db2.gz CTTVOOYHXHMCJW-SFHVURJKSA-N 1 0 411.845 4.403 20 5 HIBDRO COc1ccc(C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C(C)(C)C)cc1 ZINC000571201306 947542933 /nfs/dbraw/zinc/54/29/33/947542933.db2.gz KIPGLCRFQAJNLZ-UHFFFAOYSA-N 1 0 415.490 4.241 20 5 HIBDRO CCC[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000571867747 947806710 /nfs/dbraw/zinc/80/67/10/947806710.db2.gz ILYXRYXMQUCCRT-GOSISDBHSA-N 1 0 404.898 4.312 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573371703 948171003 /nfs/dbraw/zinc/17/10/03/948171003.db2.gz DFZVNZDKEQJMIG-QHCPKHFHSA-N 1 0 408.502 4.287 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574108770 948366025 /nfs/dbraw/zinc/36/60/25/948366025.db2.gz VVZBPMZWZILHEC-CYFREDJKSA-N 1 0 422.529 4.272 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574560566 948473829 /nfs/dbraw/zinc/47/38/29/948473829.db2.gz KHBQKWDQSDJUDW-VQTJNVASSA-N 1 0 408.502 4.197 20 5 HIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC3 ZINC000574923712 948552869 /nfs/dbraw/zinc/55/28/69/948552869.db2.gz RMCHAKZCZULQOI-HXOBKFHXSA-N 1 0 415.497 4.355 20 5 HIBDRO Cc1ccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000575219119 948635251 /nfs/dbraw/zinc/63/52/51/948635251.db2.gz VKYDVSYORSHVCF-UHFFFAOYSA-N 1 0 424.419 4.371 20 5 HIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627853 719068312 /nfs/dbraw/zinc/06/83/12/719068312.db2.gz RJBWPXXTHXSERM-HRAATJIYSA-N 1 0 423.904 4.292 20 5 HIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627856 719068761 /nfs/dbraw/zinc/06/87/61/719068761.db2.gz RJBWPXXTHXSERM-KKSFZXQISA-N 1 0 423.904 4.292 20 5 HIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618517 719074858 /nfs/dbraw/zinc/07/48/58/719074858.db2.gz AZJJVKYEHZFTDL-GOEBONIOSA-N 1 0 407.301 4.397 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)c(C)cc2[N+](=O)[O-])CC3)cs1 ZINC001164692607 719806680 /nfs/dbraw/zinc/80/66/80/719806680.db2.gz LDAFVOQBUIRLEJ-UHFFFAOYSA-N 1 0 421.954 4.352 20 5 HIBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164696285 719897160 /nfs/dbraw/zinc/89/71/60/719897160.db2.gz FOOYVMVNAYYUAQ-UHFFFAOYSA-N 1 0 424.526 4.076 20 5 HIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165020535 721808419 /nfs/dbraw/zinc/80/84/19/721808419.db2.gz FYIRSWNVTBQURU-IEZWGBDMSA-N 1 0 415.925 4.084 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001165027356 721810258 /nfs/dbraw/zinc/81/02/58/721810258.db2.gz UJIWKYVKKWDXPU-CEWLAPEOSA-N 1 0 417.513 4.275 20 5 HIBDRO CN(CC1CC[NH+](C)CC1)c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001165041388 721934019 /nfs/dbraw/zinc/93/40/19/721934019.db2.gz UAPWWZJGYCTDAZ-UHFFFAOYSA-N 1 0 408.861 4.353 20 5 HIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994845 722197038 /nfs/dbraw/zinc/19/70/38/722197038.db2.gz QFCCOLIOZBRWIN-FQEVSTJZSA-N 1 0 404.873 4.336 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 ZINC000435939001 861201577 /nfs/dbraw/zinc/20/15/77/861201577.db2.gz MNZOSXJYYUWPIJ-DEOSSOPVSA-N 1 0 413.521 4.494 20 5 HIBDRO CC(C)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[NH+]1CCC(C)CC1 ZINC000436104842 861390657 /nfs/dbraw/zinc/39/06/57/861390657.db2.gz CQUOMXVGDOHFFA-NRFANRHFSA-N 1 0 423.532 4.307 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 ZINC000436108938 861395168 /nfs/dbraw/zinc/39/51/68/861395168.db2.gz UNWAFYOALSFYSS-HXUWFJFHSA-N 1 0 409.505 4.061 20 5 HIBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)([NH+](C)C)C1 ZINC000436151335 861450913 /nfs/dbraw/zinc/45/09/13/861450913.db2.gz LLHRNPKEWWXUHZ-OYLFLEFRSA-N 1 0 409.505 4.061 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000436322885 861626599 /nfs/dbraw/zinc/62/65/99/861626599.db2.gz PFXQBKWXBJCTRP-QGZVFWFLSA-N 1 0 409.408 4.182 20 5 HIBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000436341232 861651524 /nfs/dbraw/zinc/65/15/24/861651524.db2.gz GFDJEAXKFWCULQ-IBGZPJMESA-N 1 0 417.553 4.410 20 5 HIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436385942 861729904 /nfs/dbraw/zinc/72/99/04/861729904.db2.gz IPXBXJTZJMKXAO-UHFFFAOYSA-N 1 0 408.424 4.357 20 5 HIBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025536234 846994253 /nfs/dbraw/zinc/99/42/53/846994253.db2.gz LQJDPBUTABITOV-FQEVSTJZSA-N 1 0 401.894 4.061 20 5 HIBDRO Cc1ccc2c(CC[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cn(C)c2c1 ZINC000436412789 861762790 /nfs/dbraw/zinc/76/27/90/861762790.db2.gz NSOLIBKZMDZBEZ-UHFFFAOYSA-N 1 0 403.486 4.128 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000031077306 847819016 /nfs/dbraw/zinc/81/90/16/847819016.db2.gz LORYWJFCBLAKCL-UHFFFAOYSA-N 1 0 419.481 4.019 20 5 HIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000043765647 848461309 /nfs/dbraw/zinc/46/13/09/848461309.db2.gz UGVRUCXJPCKDNS-UHFFFAOYSA-N 1 0 423.416 4.299 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000056170613 850270704 /nfs/dbraw/zinc/27/07/04/850270704.db2.gz YQDSOUJYQKXOTN-CABCVRRESA-N 1 0 401.463 4.068 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C1 ZINC000058254592 850788198 /nfs/dbraw/zinc/78/81/98/850788198.db2.gz LSMOGMRAXIFPPQ-MRXNPFEDSA-N 1 0 406.486 4.238 20 5 HIBDRO C[N@H+](Cc1ccccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000060611668 851166213 /nfs/dbraw/zinc/16/62/13/851166213.db2.gz FLOIVRXLSKCCME-UHFFFAOYSA-N 1 0 410.518 4.359 20 5 HIBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000064550875 851927765 /nfs/dbraw/zinc/92/77/65/851927765.db2.gz QLRNEHNJSXQZSC-MRXNPFEDSA-N 1 0 416.547 4.119 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064906417 852018445 /nfs/dbraw/zinc/01/84/45/852018445.db2.gz NXZQKKMMTRVBBS-UHFFFAOYSA-N 1 0 422.510 4.113 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065098891 852063455 /nfs/dbraw/zinc/06/34/55/852063455.db2.gz RHDZPECEOLWWHB-UHFFFAOYSA-N 1 0 422.510 4.244 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065098889 852064021 /nfs/dbraw/zinc/06/40/21/852064021.db2.gz HBQZNGFZAUIFRE-UHFFFAOYSA-N 1 0 422.510 4.244 20 5 HIBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000065881400 852300892 /nfs/dbraw/zinc/30/08/92/852300892.db2.gz WFUYKPGCXKKJNU-UHFFFAOYSA-N 1 0 424.545 4.213 20 5 HIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000096993956 852569944 /nfs/dbraw/zinc/56/99/44/852569944.db2.gz TYLACGVNFXIDKF-CQSZACIVSA-N 1 0 405.380 4.036 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000097570391 852632539 /nfs/dbraw/zinc/63/25/39/852632539.db2.gz BEXAPGLEHRINMH-UHFFFAOYSA-N 1 0 401.894 4.029 20 5 HIBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000437192549 862383992 /nfs/dbraw/zinc/38/39/92/862383992.db2.gz YMFWMAGVSWPPIQ-OAHLLOKOSA-N 1 0 420.560 4.067 20 5 HIBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000109505594 852978213 /nfs/dbraw/zinc/97/82/13/852978213.db2.gz PTVLEFFJMIFIFF-UHFFFAOYSA-N 1 0 410.518 4.089 20 5 HIBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)C[C@H](C)O1 ZINC000110414251 853097397 /nfs/dbraw/zinc/09/73/97/853097397.db2.gz HOGXYGHFQPDYDM-OALUTQOASA-N 1 0 417.553 4.349 20 5 HIBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000115866492 853268948 /nfs/dbraw/zinc/26/89/48/853268948.db2.gz CSQAMQSALDLEKD-UHFFFAOYSA-N 1 0 411.502 4.298 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000116179132 853290241 /nfs/dbraw/zinc/29/02/41/853290241.db2.gz HHHIXIIZPWZNHN-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO Cc1ccccc1C[N@H+]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000116758893 853332292 /nfs/dbraw/zinc/33/22/92/853332292.db2.gz KZCRAKMSCJGCCV-SFHVURJKSA-N 1 0 421.501 4.222 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140149231 853435515 /nfs/dbraw/zinc/43/55/15/853435515.db2.gz VCTLPWFBEALWCN-CVEARBPZSA-N 1 0 419.572 4.165 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145790371 853557505 /nfs/dbraw/zinc/55/75/05/853557505.db2.gz LDMUIESCSRFBEE-OAHLLOKOSA-N 1 0 419.572 4.165 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000195663902 853745265 /nfs/dbraw/zinc/74/52/65/853745265.db2.gz BAWMKNZFNFPVFQ-UHFFFAOYSA-N 1 0 402.882 4.282 20 5 HIBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000216728653 853857855 /nfs/dbraw/zinc/85/78/55/853857855.db2.gz GSVLDYXQTKJTCA-NRFANRHFSA-N 1 0 422.529 4.297 20 5 HIBDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000217108845 853860585 /nfs/dbraw/zinc/86/05/85/853860585.db2.gz OUDVVSHMUOEAIC-HXPMCKFVSA-N 1 0 403.866 4.325 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000236571288 853899696 /nfs/dbraw/zinc/89/96/96/853899696.db2.gz YJIHOZUOOSOAPT-NBUZRDOWSA-N 1 0 416.319 4.487 20 5 HIBDRO CCC[N@@H+]1CC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236810824 853925996 /nfs/dbraw/zinc/92/59/96/853925996.db2.gz VAYXDKWUDGUHPO-CQSZACIVSA-N 1 0 422.323 4.439 20 5 HIBDRO CCOc1cc(C[NH2+]C2(C)CCCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000236911671 853936207 /nfs/dbraw/zinc/93/62/07/853936207.db2.gz DYLMRKMLDUCFTG-UHFFFAOYSA-N 1 0 416.522 4.390 20 5 HIBDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237026217 853953687 /nfs/dbraw/zinc/95/36/87/853953687.db2.gz QTXZYTJBEOIUEV-FQEVSTJZSA-N 1 0 409.511 4.112 20 5 HIBDRO CNC(=O)c1cccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000237048939 853956606 /nfs/dbraw/zinc/95/66/06/853956606.db2.gz ZEGPUPAXYMERRA-UHFFFAOYSA-N 1 0 413.861 4.200 20 5 HIBDRO COc1cc(C[NH2+][C@@H](CO)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237179963 853976437 /nfs/dbraw/zinc/97/64/37/853976437.db2.gz WUPNLMKNRKGNMH-NRFANRHFSA-N 1 0 408.454 4.006 20 5 HIBDRO CCc1ccc(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000237180521 853976448 /nfs/dbraw/zinc/97/64/48/853976448.db2.gz VXAXOEMEDMRKSR-UHFFFAOYSA-N 1 0 404.410 4.458 20 5 HIBDRO COc1cc(C[NH2+][C@@](C)(CO)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237201819 853980895 /nfs/dbraw/zinc/98/08/95/853980895.db2.gz NMIKIDUTTJRKIC-DEOSSOPVSA-N 1 0 422.481 4.180 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237244841 853990036 /nfs/dbraw/zinc/99/00/36/853990036.db2.gz YNHJSOVGDRMBGZ-SCLBCKFNSA-N 1 0 420.428 4.085 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1[N+](=O)[O-] ZINC000237343517 854009206 /nfs/dbraw/zinc/00/92/06/854009206.db2.gz FMTMHMUTRNKDAA-MRXNPFEDSA-N 1 0 423.469 4.437 20 5 HIBDRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237408999 854025338 /nfs/dbraw/zinc/02/53/38/854025338.db2.gz HJBLVOISVFONNB-UHFFFAOYSA-N 1 0 423.391 4.358 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3-n3cccn3)o2)c([N+](=O)[O-])c1 ZINC000237418308 854028522 /nfs/dbraw/zinc/02/85/22/854028522.db2.gz CKCYRJLBXRNCCF-UHFFFAOYSA-N 1 0 404.426 4.339 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(OCC4CC4)nc3)o2)c([N+](=O)[O-])c1 ZINC000237420393 854028865 /nfs/dbraw/zinc/02/88/65/854028865.db2.gz NKLZIIIYMAATAR-UHFFFAOYSA-N 1 0 409.442 4.337 20 5 HIBDRO COc1cc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)c([N+](=O)[O-])cc1O ZINC000237425612 854030909 /nfs/dbraw/zinc/03/09/09/854030909.db2.gz CSJGMGYPVFWBKS-QGZVFWFLSA-N 1 0 423.872 4.028 20 5 HIBDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237609570 854061530 /nfs/dbraw/zinc/06/15/30/854061530.db2.gz QFXHBCPZNNRUAO-INIZCTEOSA-N 1 0 416.485 4.340 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1 ZINC000237707431 854079847 /nfs/dbraw/zinc/07/98/47/854079847.db2.gz ZOBOCHFAEKXJPK-CYBMUJFWSA-N 1 0 400.788 4.031 20 5 HIBDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237711904 854080986 /nfs/dbraw/zinc/08/09/86/854080986.db2.gz PLNOFYHYGLZHMT-UHFFFAOYSA-N 1 0 419.279 4.257 20 5 HIBDRO Cc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000237733737 854086069 /nfs/dbraw/zinc/08/60/69/854086069.db2.gz CRPXVSJKVMHGDK-UHFFFAOYSA-N 1 0 406.280 4.093 20 5 HIBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237744095 854088118 /nfs/dbraw/zinc/08/81/18/854088118.db2.gz PLPDVLBBJFODNO-FYYLOGMGSA-N 1 0 406.486 4.088 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237777244 854096067 /nfs/dbraw/zinc/09/60/67/854096067.db2.gz BEHUWBSHKSMDPS-UHFFFAOYSA-N 1 0 407.474 4.002 20 5 HIBDRO O=C(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)NC1CCCCC1 ZINC000237814631 854102000 /nfs/dbraw/zinc/10/20/00/854102000.db2.gz GYIYAPNVDICWML-UHFFFAOYSA-N 1 0 405.882 4.437 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+](C[C@@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000237817357 854103366 /nfs/dbraw/zinc/10/33/66/854103366.db2.gz YDSBBEWRDKCHTN-HNNXBMFYSA-N 1 0 419.909 4.099 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccnc(-n4cccn4)c3)o2)c(Cl)c1 ZINC000237819931 854103456 /nfs/dbraw/zinc/10/34/56/854103456.db2.gz URNJFQUAOIVONJ-UHFFFAOYSA-N 1 0 409.833 4.379 20 5 HIBDRO Cc1cccn2cc(COc3ccc(C[NH2+]Cc4ccc([N+](=O)[O-])cc4)cc3)nc12 ZINC000237855800 854108184 /nfs/dbraw/zinc/10/81/84/854108184.db2.gz AVIHSZGXWUZHLJ-UHFFFAOYSA-N 1 0 402.454 4.420 20 5 HIBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl ZINC000237856486 854109757 /nfs/dbraw/zinc/10/97/57/854109757.db2.gz JBHYSRSUSVAXAT-UHFFFAOYSA-N 1 0 415.902 4.496 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCN(c4ccc(F)cc4)C3)cs2)c1 ZINC000237862426 854110614 /nfs/dbraw/zinc/11/06/14/854110614.db2.gz SRJDIAAVSCLMCJ-HNNXBMFYSA-N 1 0 412.490 4.474 20 5 HIBDRO Cc1ccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000237865310 854110888 /nfs/dbraw/zinc/11/08/88/854110888.db2.gz CPIIWTBFIQVWLU-UHFFFAOYSA-N 1 0 413.481 4.483 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCn3cnnc3C3CC3)cc2[N+](=O)[O-])cc1 ZINC000237967360 854127874 /nfs/dbraw/zinc/12/78/74/854127874.db2.gz MYIYDNOQZDSRQB-UHFFFAOYSA-N 1 0 409.515 4.313 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000437288226 862542184 /nfs/dbraw/zinc/54/21/84/862542184.db2.gz MMFHUBDZQRBHCX-INIZCTEOSA-N 1 0 405.376 4.238 20 5 HIBDRO Cc1cnc(N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000301464302 854400449 /nfs/dbraw/zinc/40/04/49/854400449.db2.gz WGVLCBKCSPGQRT-UHFFFAOYSA-N 1 0 408.424 4.418 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301897831 854488432 /nfs/dbraw/zinc/48/84/32/854488432.db2.gz ROFJVOICWHIHJV-CYBMUJFWSA-N 1 0 405.296 4.390 20 5 HIBDRO C[N@H+](CCc1ccc(Br)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000303351215 854887344 /nfs/dbraw/zinc/88/73/44/854887344.db2.gz YKFIXKFALDPQTC-UHFFFAOYSA-N 1 0 417.263 4.082 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000303680512 855128850 /nfs/dbraw/zinc/12/88/50/855128850.db2.gz RQUMMTKYMQJYSA-IBGZPJMESA-N 1 0 415.515 4.031 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000410158044 855843675 /nfs/dbraw/zinc/84/36/75/855843675.db2.gz OINMGURFALRZLA-QZTJIDSGSA-N 1 0 410.518 4.072 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426246329 856199960 /nfs/dbraw/zinc/19/99/60/856199960.db2.gz ZVKCJLCLWXWTCF-UHFFFAOYSA-N 1 0 408.502 4.065 20 5 HIBDRO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000428467774 857212765 /nfs/dbraw/zinc/21/27/65/857212765.db2.gz AZPSCDKIQUOGFY-FGZHOGPDSA-N 1 0 406.486 4.183 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@H]2Cc3cccc(O)c3C2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000429235345 857566594 /nfs/dbraw/zinc/56/65/94/857566594.db2.gz IQMOSLDZDVPBOD-FDDCHVKYSA-N 1 0 417.465 4.046 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000429405378 857647115 /nfs/dbraw/zinc/64/71/15/857647115.db2.gz HTBOSXMSHYNJFE-HOTGVXAUSA-N 1 0 421.335 4.119 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000429424278 857658672 /nfs/dbraw/zinc/65/86/72/857658672.db2.gz JMSPWPDQBKQLPH-LSDHHAIUSA-N 1 0 407.308 4.168 20 5 HIBDRO CCCOc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OCCC ZINC000429488581 857693722 /nfs/dbraw/zinc/69/37/22/857693722.db2.gz JORFGZOMDUSBSI-MRXNPFEDSA-N 1 0 422.526 4.120 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000430194920 858076810 /nfs/dbraw/zinc/07/68/10/858076810.db2.gz LJNQYNYIYDGTQG-MRXNPFEDSA-N 1 0 412.421 4.172 20 5 HIBDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C[C@H](C)O2 ZINC000430765869 858295944 /nfs/dbraw/zinc/29/59/44/858295944.db2.gz TVCZTNACTANBOB-VWKPWSFCSA-N 1 0 402.516 4.482 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000430829111 858320726 /nfs/dbraw/zinc/32/07/26/858320726.db2.gz XKUBQIZWQOKUGS-KNQAVFIVSA-N 1 0 419.569 4.172 20 5 HIBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000430864288 858342752 /nfs/dbraw/zinc/34/27/52/858342752.db2.gz JYDFNOPJSXXPRE-OXJNMPFZSA-N 1 0 411.527 4.302 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000431841796 858836486 /nfs/dbraw/zinc/83/64/86/858836486.db2.gz DHLVQVVYMMQPST-UHFFFAOYSA-N 1 0 402.539 4.001 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431945867 858881975 /nfs/dbraw/zinc/88/19/75/858881975.db2.gz LFZPHWZFADGZNU-CABCVRRESA-N 1 0 424.339 4.084 20 5 HIBDRO COc1cccc(C2(F)CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000467548606 881369739 /nfs/dbraw/zinc/36/97/39/881369739.db2.gz ONUIQQQYGICOOC-UHFFFAOYSA-N 1 0 424.476 4.465 20 5 HIBDRO COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432814649 859371849 /nfs/dbraw/zinc/37/18/49/859371849.db2.gz WSVVVDXOTLGFHG-FQEVSTJZSA-N 1 0 413.518 4.099 20 5 HIBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433177131 859555620 /nfs/dbraw/zinc/55/56/20/859555620.db2.gz PZTKMRCLBUBDNJ-KNQAVFIVSA-N 1 0 423.513 4.016 20 5 HIBDRO COC[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000433210015 859568162 /nfs/dbraw/zinc/56/81/62/859568162.db2.gz ZQMIFUHFDHKIJU-QFBILLFUSA-N 1 0 406.866 4.324 20 5 HIBDRO C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)nc2)CC1 ZINC000433223311 859575885 /nfs/dbraw/zinc/57/58/85/859575885.db2.gz OFLPIADXPDIVQB-OAQYLSRUSA-N 1 0 409.534 4.355 20 5 HIBDRO C[NH+](C)C1CCN(c2ccc(N[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)nc2)CC1 ZINC000433223310 859576101 /nfs/dbraw/zinc/57/61/01/859576101.db2.gz OFLPIADXPDIVQB-NRFANRHFSA-N 1 0 409.534 4.355 20 5 HIBDRO CC1(C)C[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433295530 859621577 /nfs/dbraw/zinc/62/15/77/859621577.db2.gz PQUBSXGVFZRDGG-ZWKOTPCHSA-N 1 0 405.292 4.403 20 5 HIBDRO CC1(C)C[C@@H]([NH2+][C@H](CO)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433295528 859622486 /nfs/dbraw/zinc/62/24/86/859622486.db2.gz PQUBSXGVFZRDGG-QZTJIDSGSA-N 1 0 405.292 4.403 20 5 HIBDRO CC(C)c1n[nH]c(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000433828268 859917391 /nfs/dbraw/zinc/91/73/91/859917391.db2.gz JILJUHVZTAHFCD-UHFFFAOYSA-N 1 0 421.501 4.100 20 5 HIBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000434317332 860278420 /nfs/dbraw/zinc/27/84/20/860278420.db2.gz PSRRUEVVZFCCQF-LJQANCHMSA-N 1 0 419.485 4.107 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000434856729 860525491 /nfs/dbraw/zinc/52/54/91/860525491.db2.gz UKEBTFWBWQPWGK-AWEZNQCLSA-N 1 0 423.404 4.305 20 5 HIBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000434992872 860589185 /nfs/dbraw/zinc/58/91/85/860589185.db2.gz VOUSTXBWWOPFOT-KRWDZBQOSA-N 1 0 417.893 4.389 20 5 HIBDRO Cc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435292324 860722240 /nfs/dbraw/zinc/72/22/40/860722240.db2.gz XSMCYZMXVKXVIH-IBGZPJMESA-N 1 0 419.485 4.107 20 5 HIBDRO CCCC[NH+]1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435318723 860733375 /nfs/dbraw/zinc/73/33/75/860733375.db2.gz IMOCFWDTTQZMGN-UHFFFAOYSA-N 1 0 413.316 4.052 20 5 HIBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467807039 881630790 /nfs/dbraw/zinc/63/07/90/881630790.db2.gz LQUMCSPCKYKSLB-ACJLOTCBSA-N 1 0 415.877 4.253 20 5 HIBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467807041 881631102 /nfs/dbraw/zinc/63/11/02/881631102.db2.gz LQUMCSPCKYKSLB-SCLBCKFNSA-N 1 0 415.877 4.253 20 5 HIBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437936353 863312602 /nfs/dbraw/zinc/31/26/02/863312602.db2.gz VFQDCOYVEFWBAY-OAQYLSRUSA-N 1 0 408.502 4.106 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437999009 863361416 /nfs/dbraw/zinc/36/14/16/863361416.db2.gz NSKMAJRXMMMBOC-XMSQKQJNSA-N 1 0 422.529 4.179 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[NH+]2CCCC2)o1 ZINC000438024383 863383165 /nfs/dbraw/zinc/38/31/65/863383165.db2.gz RKUGUWDYXXJJRQ-FQEVSTJZSA-N 1 0 412.490 4.007 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000467856416 881705984 /nfs/dbraw/zinc/70/59/84/881705984.db2.gz YPYMEZYLMLPUKS-AWEZNQCLSA-N 1 0 420.307 4.057 20 5 HIBDRO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000438480269 863897304 /nfs/dbraw/zinc/89/73/04/863897304.db2.gz SDDUENSICGACRD-MRXNPFEDSA-N 1 0 423.469 4.437 20 5 HIBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000438553126 863983398 /nfs/dbraw/zinc/98/33/98/863983398.db2.gz NNACWVHLUCRVLL-UHFFFAOYSA-N 1 0 421.447 4.316 20 5 HIBDRO CC1CCN(c2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000438557043 863988117 /nfs/dbraw/zinc/98/81/17/863988117.db2.gz ITYNVZZWPGFPRU-UHFFFAOYSA-N 1 0 410.518 4.188 20 5 HIBDRO C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000438556127 863988171 /nfs/dbraw/zinc/98/81/71/863988171.db2.gz FZAWQOPLUFCMKP-KRWDZBQOSA-N 1 0 410.518 4.188 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000438952839 864423960 /nfs/dbraw/zinc/42/39/60/864423960.db2.gz NFUUUOGNVUWGLE-LJQANCHMSA-N 1 0 401.894 4.197 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000439155392 864587684 /nfs/dbraw/zinc/58/76/84/864587684.db2.gz PMMMBFLSTRMZQP-YJBOKZPZSA-N 1 0 401.894 4.197 20 5 HIBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000439424924 864827858 /nfs/dbraw/zinc/82/78/58/864827858.db2.gz WBIRGWVGUULDFP-HXUWFJFHSA-N 1 0 423.513 4.436 20 5 HIBDRO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000439559145 864884503 /nfs/dbraw/zinc/88/45/03/864884503.db2.gz BPNFUNRQRPMWMZ-CHWSQXEVSA-N 1 0 419.503 4.073 20 5 HIBDRO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000439559148 864884559 /nfs/dbraw/zinc/88/45/59/864884559.db2.gz BPNFUNRQRPMWMZ-QWHCGFSZSA-N 1 0 419.503 4.073 20 5 HIBDRO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073742 867811271 /nfs/dbraw/zinc/81/12/71/867811271.db2.gz WRPQCPSOYGPNCS-OXQOHEQNSA-N 1 0 400.475 4.182 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000443948088 868484114 /nfs/dbraw/zinc/48/41/14/868484114.db2.gz PPGAPNHIUMHNKW-UHFFFAOYSA-N 1 0 414.506 4.254 20 5 HIBDRO O=C(c1ccccc1[N+](=O)[O-])N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000443984884 868509441 /nfs/dbraw/zinc/50/94/41/868509441.db2.gz FLGIYSQYWGKGQR-KRWDZBQOSA-N 1 0 421.419 4.121 20 5 HIBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444007961 868530235 /nfs/dbraw/zinc/53/02/35/868530235.db2.gz ICQWHOJAVFTFFG-QGZVFWFLSA-N 1 0 405.542 4.312 20 5 HIBDRO COc1cccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000444040935 868580637 /nfs/dbraw/zinc/58/06/37/868580637.db2.gz UWVHGTKWSPJGOX-IAGOWNOFSA-N 1 0 411.502 4.011 20 5 HIBDRO COC[C@H](C)n1c(C)cc(C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000444255221 868701021 /nfs/dbraw/zinc/70/10/21/868701021.db2.gz YPOIXTXHFNZSRJ-KRWDZBQOSA-N 1 0 401.507 4.314 20 5 HIBDRO C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444307858 868740078 /nfs/dbraw/zinc/74/00/78/868740078.db2.gz MGKXBGFMBZBIGH-WMZOPIPTSA-N 1 0 403.526 4.064 20 5 HIBDRO CC(C)(C)c1ccc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc1[N+](=O)[O-] ZINC000444453758 868833867 /nfs/dbraw/zinc/83/38/67/868833867.db2.gz KAWJQJMDZCVUDR-UHFFFAOYSA-N 1 0 411.502 4.101 20 5 HIBDRO COc1ccc(OCC[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000444680959 868954612 /nfs/dbraw/zinc/95/46/12/868954612.db2.gz XVHBONPWGALXFM-GFCCVEGCSA-N 1 0 406.389 4.078 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccccc1 ZINC000444827723 869036437 /nfs/dbraw/zinc/03/64/37/869036437.db2.gz LELDIIWYJQFHKG-QHCPKHFHSA-N 1 0 413.521 4.494 20 5 HIBDRO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000444905169 869092289 /nfs/dbraw/zinc/09/22/89/869092289.db2.gz RBMMNBLJUKXPFK-UHFFFAOYSA-N 1 0 410.474 4.383 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177253 869262890 /nfs/dbraw/zinc/26/28/90/869262890.db2.gz GNWYDPPYKXSMDX-PKOBYXMFSA-N 1 0 411.505 4.247 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445185525 869264834 /nfs/dbraw/zinc/26/48/34/869264834.db2.gz QFLKUMQHDUISJN-IRXDYDNUSA-N 1 0 405.542 4.168 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000446974328 870871685 /nfs/dbraw/zinc/87/16/85/870871685.db2.gz ICBZJBXIABJMLM-FTRWYGJKSA-N 1 0 422.447 4.164 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000447533454 871398614 /nfs/dbraw/zinc/39/86/14/871398614.db2.gz XNZDVNLUDVXLDM-HSZRJFAPSA-N 1 0 423.513 4.265 20 5 HIBDRO O=C(CCc1ccccc1)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447533482 871398636 /nfs/dbraw/zinc/39/86/36/871398636.db2.gz XSCIRDAIEQWPFC-QHCPKHFHSA-N 1 0 407.514 4.186 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2Oc2cccc(F)c2)n1 ZINC000447546570 871416783 /nfs/dbraw/zinc/41/67/83/871416783.db2.gz XBQGLFWVWUIMCO-RTBURBONSA-N 1 0 411.437 4.391 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000447554202 871435277 /nfs/dbraw/zinc/43/52/77/871435277.db2.gz UQLZUYFDJWELNT-LBPRGKRZSA-N 1 0 416.421 4.176 20 5 HIBDRO COc1cc(OC)cc([C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000468510538 882513592 /nfs/dbraw/zinc/51/35/92/882513592.db2.gz GZTJJTUZRAXDBF-OPAMFIHVSA-N 1 0 424.501 4.046 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cc3cc(Br)ccc3[nH]2)n1 ZINC000447600096 871506268 /nfs/dbraw/zinc/50/62/68/871506268.db2.gz LRXAKUJLQYNLGX-SJORKVTESA-N 1 0 418.295 4.309 20 5 HIBDRO COc1ccccc1[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC(C)C ZINC000447603200 871510523 /nfs/dbraw/zinc/51/05/23/871510523.db2.gz VSDHURQONQRDDV-GGPKGHCWSA-N 1 0 402.495 4.040 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C/CNCc1noc(-c2cccc(Br)c2)n1 ZINC000448277972 872201081 /nfs/dbraw/zinc/20/10/81/872201081.db2.gz GWLUTEFOJCKOBN-QPJJXVBHSA-N 1 0 415.247 4.210 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448312989 872247534 /nfs/dbraw/zinc/24/75/34/872247534.db2.gz YMRJFUOYOMJXCA-OAHLLOKOSA-N 1 0 421.419 4.350 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000468638077 882772443 /nfs/dbraw/zinc/77/24/43/882772443.db2.gz MLUXFYRMYQXILV-GZTJUZNOSA-N 1 0 410.470 4.065 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000468650945 882787468 /nfs/dbraw/zinc/78/74/68/882787468.db2.gz JJQAUWCZUKBQLE-SFQUDFHCSA-N 1 0 402.454 4.435 20 5 HIBDRO 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 874275290 /nfs/dbraw/zinc/27/52/90/874275290.db2.gz VVJNZUQZGOKJKX-QWFCFKBJSA-N 1 0 416.566 4.024 20 5 HIBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000461265705 874275738 /nfs/dbraw/zinc/27/57/38/874275738.db2.gz SGCFABRFVWHSIJ-HXUWFJFHSA-N 1 0 410.518 4.153 20 5 HIBDRO CSc1cccc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000461464872 874522962 /nfs/dbraw/zinc/52/29/62/874522962.db2.gz CJNPKZIHYSYSIF-GOSISDBHSA-N 1 0 413.543 4.349 20 5 HIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000462234694 875347476 /nfs/dbraw/zinc/34/74/76/875347476.db2.gz RTVISSQHFYIKKB-UHFFFAOYSA-N 1 0 413.518 4.198 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462629794 875741701 /nfs/dbraw/zinc/74/17/01/875741701.db2.gz XLGXFRPYCAQNTA-QIJUGHKUSA-N 1 0 409.530 4.333 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462629797 875741864 /nfs/dbraw/zinc/74/18/64/875741864.db2.gz XLGXFRPYCAQNTA-VLCRHTCISA-N 1 0 409.530 4.333 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000462641893 875752331 /nfs/dbraw/zinc/75/23/31/875752331.db2.gz OFHRLTOPBWMSRM-CNNODRBYSA-N 1 0 423.557 4.436 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000462755174 875819390 /nfs/dbraw/zinc/81/93/90/875819390.db2.gz LBNYPWAXJLZXOY-XJABCFGWSA-N 1 0 417.465 4.101 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000462756777 875821216 /nfs/dbraw/zinc/82/12/16/875821216.db2.gz PNSMUEOBOWESBQ-YUXAGFNASA-N 1 0 417.465 4.101 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000462756770 875821279 /nfs/dbraw/zinc/82/12/79/875821279.db2.gz PNSMUEOBOWESBQ-BWAGFHJFSA-N 1 0 417.465 4.101 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1cccs1 ZINC000462882209 875910806 /nfs/dbraw/zinc/91/08/06/875910806.db2.gz SDQYKTBISBQXSO-XOBRGWDASA-N 1 0 400.504 4.036 20 5 HIBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885772 875913551 /nfs/dbraw/zinc/91/35/51/875913551.db2.gz UGCPYMKMWWTVBR-DYESRHJHSA-N 1 0 423.542 4.339 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000462983977 875997192 /nfs/dbraw/zinc/99/71/92/875997192.db2.gz BFJCSJYPYOYHFM-FYYLOGMGSA-N 1 0 424.545 4.072 20 5 HIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)cc1[N+](=O)[O-] ZINC000463026213 876045755 /nfs/dbraw/zinc/04/57/55/876045755.db2.gz VSQLWXYLLJNPEU-AWEZNQCLSA-N 1 0 423.307 4.278 20 5 HIBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000463197907 876259302 /nfs/dbraw/zinc/25/93/02/876259302.db2.gz KIGDQUICCLSKAO-DBOLQNLKSA-N 1 0 413.518 4.444 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463281624 876340344 /nfs/dbraw/zinc/34/03/44/876340344.db2.gz VWTBFIOKUQATMD-PGRDOPGGSA-N 1 0 410.518 4.035 20 5 HIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO ZINC000463362192 876416564 /nfs/dbraw/zinc/41/65/64/876416564.db2.gz SDHQEVDEDTUSJJ-AWEZNQCLSA-N 1 0 423.307 4.012 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463382911 876438177 /nfs/dbraw/zinc/43/81/77/876438177.db2.gz VASVNFZJASGYJC-KBPBESRZSA-N 1 0 401.429 4.102 20 5 HIBDRO CCc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000463441041 876498903 /nfs/dbraw/zinc/49/89/03/876498903.db2.gz QLQAXSUPTRKEBD-SFHVURJKSA-N 1 0 409.408 4.209 20 5 HIBDRO CCc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000463441040 876499344 /nfs/dbraw/zinc/49/93/44/876499344.db2.gz QLQAXSUPTRKEBD-GOSISDBHSA-N 1 0 409.408 4.209 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463443666 876502541 /nfs/dbraw/zinc/50/25/41/876502541.db2.gz KIVIUHCBWHZQKO-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000463630028 876748216 /nfs/dbraw/zinc/74/82/16/876748216.db2.gz PTUMNFMTOSBCBA-HNNXBMFYSA-N 1 0 413.440 4.198 20 5 HIBDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000463952764 877075476 /nfs/dbraw/zinc/07/54/76/877075476.db2.gz GANIPDQISQAJIT-LJQANCHMSA-N 1 0 414.506 4.043 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000463953987 877076751 /nfs/dbraw/zinc/07/67/51/877076751.db2.gz WYHRCWMOORYROT-UHFFFAOYSA-N 1 0 406.433 4.086 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000464733598 877969661 /nfs/dbraw/zinc/96/96/61/877969661.db2.gz JWLSPUXNVSHIPC-LIRRHRJNSA-N 1 0 401.438 4.154 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738688 877973058 /nfs/dbraw/zinc/97/30/58/877973058.db2.gz SZJNSCXXFKFKCG-CABCVRRESA-N 1 0 401.429 4.169 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464766732 878011280 /nfs/dbraw/zinc/01/12/80/878011280.db2.gz DOEQPKPTVONVCD-INIZCTEOSA-N 1 0 415.515 4.046 20 5 HIBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc21 ZINC000465139537 878521643 /nfs/dbraw/zinc/52/16/43/878521643.db2.gz NMAMVTLGWBLRFE-UHFFFAOYSA-N 1 0 420.391 4.382 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)C1 ZINC000465196456 878598125 /nfs/dbraw/zinc/59/81/25/878598125.db2.gz STDDFDJRMKDGKP-MRXNPFEDSA-N 1 0 424.501 4.142 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466513081 880287487 /nfs/dbraw/zinc/28/74/87/880287487.db2.gz GYAMZCPYQAXBJD-RXVVDRJESA-N 1 0 410.518 4.178 20 5 HIBDRO C[N@H+](CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 ZINC000466635209 880409408 /nfs/dbraw/zinc/40/94/08/880409408.db2.gz OBGOZRABKIOWKW-UHFFFAOYSA-N 1 0 405.907 4.223 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000469283694 883381459 /nfs/dbraw/zinc/38/14/59/883381459.db2.gz YDDYRMUDJGMXMG-KUHUBIRLSA-N 1 0 403.429 4.023 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000469956388 884160471 /nfs/dbraw/zinc/16/04/71/884160471.db2.gz NITCEYLYZQYOEM-UHFFFAOYSA-N 1 0 410.518 4.292 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000470178173 884461415 /nfs/dbraw/zinc/46/14/15/884461415.db2.gz IQDNZUHPKJHXTI-GHRIWEEISA-N 1 0 411.477 4.166 20 5 HIBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000470231853 884559399 /nfs/dbraw/zinc/55/93/99/884559399.db2.gz TWXXBCPGRRPDBU-GOSISDBHSA-N 1 0 408.502 4.142 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1cccc(C(F)(F)F)c1 ZINC000470599560 885024354 /nfs/dbraw/zinc/02/43/54/885024354.db2.gz JVZMXKWNUOGSOT-KRWDZBQOSA-N 1 0 420.391 4.128 20 5 HIBDRO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470888061 885383966 /nfs/dbraw/zinc/38/39/66/885383966.db2.gz JWHBHADVPNNSQF-HSZRJFAPSA-N 1 0 424.545 4.224 20 5 HIBDRO CC1(C)CN([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)CCO1 ZINC000504034719 912940034 /nfs/dbraw/zinc/94/00/34/912940034.db2.gz XINIYZNHJRWHLI-FQEVSTJZSA-N 1 0 403.910 4.190 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000470993606 885494099 /nfs/dbraw/zinc/49/40/99/885494099.db2.gz OPZHEYAAIVVWSS-XMMPIXPASA-N 1 0 423.513 4.122 20 5 HIBDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000471038018 885547411 /nfs/dbraw/zinc/54/74/11/885547411.db2.gz IOJHSTACSUYUOU-XXBNENTESA-N 1 0 424.545 4.247 20 5 HIBDRO C[C@@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000471467814 886156885 /nfs/dbraw/zinc/15/68/85/886156885.db2.gz PHFTVPKFKWUHFV-AWEZNQCLSA-N 1 0 409.408 4.254 20 5 HIBDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000471947079 886750739 /nfs/dbraw/zinc/75/07/39/886750739.db2.gz PUMYLOTZXURMAV-WBVHZDCISA-N 1 0 408.380 4.181 20 5 HIBDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000471988157 886815407 /nfs/dbraw/zinc/81/54/07/886815407.db2.gz HIGFNPTUFQAJAJ-UGKGYDQZSA-N 1 0 424.501 4.320 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000473269202 888027992 /nfs/dbraw/zinc/02/79/92/888027992.db2.gz AGIUBSOZUCRRLR-OALUTQOASA-N 1 0 424.545 4.060 20 5 HIBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000473279323 888034785 /nfs/dbraw/zinc/03/47/85/888034785.db2.gz KAVRKAHTATVLNZ-UHFFFAOYSA-N 1 0 421.501 4.106 20 5 HIBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473690361 888463886 /nfs/dbraw/zinc/46/38/86/888463886.db2.gz ORZFXKZCRLHUMU-LPHOPBHVSA-N 1 0 412.490 4.293 20 5 HIBDRO Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000473783317 888591159 /nfs/dbraw/zinc/59/11/59/888591159.db2.gz KVVHGBNKUVOENG-QHCPKHFHSA-N 1 0 408.502 4.423 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)c(C)c2)cc1[N+](=O)[O-] ZINC000473994821 888855027 /nfs/dbraw/zinc/85/50/27/888855027.db2.gz PQPQHWWUPBRDGB-UHFFFAOYSA-N 1 0 420.465 4.412 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000474352506 889230667 /nfs/dbraw/zinc/23/06/67/889230667.db2.gz OTSNSCIUSYPPHS-HXUWFJFHSA-N 1 0 404.850 4.041 20 5 HIBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000475196346 890065366 /nfs/dbraw/zinc/06/53/66/890065366.db2.gz UTQKYDVEMYUTBN-CHWSQXEVSA-N 1 0 414.428 4.388 20 5 HIBDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1F ZINC000475223821 890094452 /nfs/dbraw/zinc/09/44/52/890094452.db2.gz JIZGAPQQKCDJLY-UHFFFAOYSA-N 1 0 414.359 4.136 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)cs2)c1 ZINC000475291195 890194527 /nfs/dbraw/zinc/19/45/27/890194527.db2.gz MCQSOTFINUXVTH-GOSISDBHSA-N 1 0 408.527 4.330 20 5 HIBDRO COc1cc(C[NH2+]Cc2ccc3ncccc3c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475332042 890252806 /nfs/dbraw/zinc/25/28/06/890252806.db2.gz MDOFKIUPLVOYPH-UHFFFAOYSA-N 1 0 421.375 4.383 20 5 HIBDRO Cc1ccc([C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000475338972 890260219 /nfs/dbraw/zinc/26/02/19/890260219.db2.gz PHOHXQQMVHIBSJ-HXOBKFHXSA-N 1 0 404.470 4.395 20 5 HIBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000475428480 890348100 /nfs/dbraw/zinc/34/81/00/890348100.db2.gz LGJXTXYFJQFUOB-QGZVFWFLSA-N 1 0 417.893 4.389 20 5 HIBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)[C@@H]2CCCSC2)ccc1Oc1ccc(F)cc1 ZINC000475507529 890423352 /nfs/dbraw/zinc/42/33/52/890423352.db2.gz GGIQWZCPVMCTJN-QGZVFWFLSA-N 1 0 406.479 4.216 20 5 HIBDRO CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000504738105 913475339 /nfs/dbraw/zinc/47/53/39/913475339.db2.gz TWELQJXROSCHAE-UHFFFAOYSA-N 1 0 402.882 4.207 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000504899233 913630869 /nfs/dbraw/zinc/63/08/69/913630869.db2.gz CNYHFVZWXZDJSM-AWEZNQCLSA-N 1 0 403.445 4.309 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000504906470 913640857 /nfs/dbraw/zinc/64/08/57/913640857.db2.gz YODIQEMYDBAQKS-LJQANCHMSA-N 1 0 413.543 4.378 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000504906469 913640962 /nfs/dbraw/zinc/64/09/62/913640962.db2.gz YODIQEMYDBAQKS-IBGZPJMESA-N 1 0 413.543 4.378 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1N1CCOCC1 ZINC000504911738 913644542 /nfs/dbraw/zinc/64/45/42/913644542.db2.gz KMINAVGSOFJVEB-SFHVURJKSA-N 1 0 401.532 4.092 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000504911875 913644618 /nfs/dbraw/zinc/64/46/18/913644618.db2.gz NCOAAKIOUMTSEI-OAHLLOKOSA-N 1 0 415.465 4.088 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000504912049 913647534 /nfs/dbraw/zinc/64/75/34/913647534.db2.gz PHYKSYCFNNVGGZ-QGZVFWFLSA-N 1 0 406.479 4.303 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000477931590 893020984 /nfs/dbraw/zinc/02/09/84/893020984.db2.gz ZOFBXBPRBNKDSI-LLGFUMIMSA-N 1 0 404.457 4.025 20 5 HIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478045685 893188908 /nfs/dbraw/zinc/18/89/08/893188908.db2.gz HHZUYYHIRLJVAI-KRWDZBQOSA-N 1 0 402.520 4.260 20 5 HIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000478063727 893224417 /nfs/dbraw/zinc/22/44/17/893224417.db2.gz TVDKLRHSVXFICA-KRWDZBQOSA-N 1 0 402.520 4.260 20 5 HIBDRO C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000478616773 893878314 /nfs/dbraw/zinc/87/83/14/893878314.db2.gz BTFLDEPGCJQRSL-STQMWFEESA-N 1 0 419.469 4.085 20 5 HIBDRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000479384571 894686243 /nfs/dbraw/zinc/68/62/43/894686243.db2.gz DPNWVZKNEJAKSB-UHFFFAOYSA-N 1 0 413.421 4.070 20 5 HIBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505268296 913925449 /nfs/dbraw/zinc/92/54/49/913925449.db2.gz IWVLJSGTPGFQFN-UHFFFAOYSA-N 1 0 413.440 4.342 20 5 HIBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000480055189 895402529 /nfs/dbraw/zinc/40/25/29/895402529.db2.gz FGVRSMNDLIFJNX-GHTZIAJQSA-N 1 0 410.518 4.270 20 5 HIBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000480055190 895402614 /nfs/dbraw/zinc/40/26/14/895402614.db2.gz FGVRSMNDLIFJNX-NQIIRXRSSA-N 1 0 410.518 4.270 20 5 HIBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000480063817 895411854 /nfs/dbraw/zinc/41/18/54/895411854.db2.gz UVQAVQNQVNFBND-UHFFFAOYSA-N 1 0 412.328 4.132 20 5 HIBDRO CCOc1cc(C[N@H+](C)C2CCCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505360963 914024973 /nfs/dbraw/zinc/02/49/73/914024973.db2.gz CEPRXOXXCULXIJ-UHFFFAOYSA-N 1 0 416.522 4.342 20 5 HIBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000480674292 896038175 /nfs/dbraw/zinc/03/81/75/896038175.db2.gz YADLIPYHHVEPQM-BBTUJRGHSA-N 1 0 416.543 4.066 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000480783576 896148283 /nfs/dbraw/zinc/14/82/83/896148283.db2.gz ZCVQNUUQSSJQEL-UHFFFAOYSA-N 1 0 405.564 4.433 20 5 HIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481394043 896800513 /nfs/dbraw/zinc/80/05/13/896800513.db2.gz UDOJAKMVCDRBPD-ADLMAVQZSA-N 1 0 412.273 4.206 20 5 HIBDRO Cn1cc([C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c2ccc(F)cc2)cn1 ZINC000481437128 896836229 /nfs/dbraw/zinc/83/62/29/896836229.db2.gz ORZOOQGBFYJOGI-JOCHJYFZSA-N 1 0 421.432 4.044 20 5 HIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000481527670 896889521 /nfs/dbraw/zinc/88/95/21/896889521.db2.gz KMGFXYGCQGYRSS-VBKZILBWSA-N 1 0 405.882 4.251 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483586352 899237273 /nfs/dbraw/zinc/23/72/73/899237273.db2.gz WDQVXCCALVLSQG-LAUBAEHRSA-N 1 0 413.905 4.375 20 5 HIBDRO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483593690 899244011 /nfs/dbraw/zinc/24/40/11/899244011.db2.gz ONFNTPJPEBBQAU-OFNKIYASSA-N 1 0 421.541 4.386 20 5 HIBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000483731718 899391297 /nfs/dbraw/zinc/39/12/97/899391297.db2.gz PWSIGIMMVGPVIG-AQNXPRMDSA-N 1 0 417.893 4.475 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483740986 899403591 /nfs/dbraw/zinc/40/35/91/899403591.db2.gz IVPDHULRMUNKOE-HOTGVXAUSA-N 1 0 411.531 4.376 20 5 HIBDRO O=C(c1ccccc1)N1CCC(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000484161618 899782156 /nfs/dbraw/zinc/78/21/56/899782156.db2.gz NRSPISFRABOXLM-JOCHJYFZSA-N 1 0 407.514 4.058 20 5 HIBDRO CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000484530564 900017293 /nfs/dbraw/zinc/01/72/93/900017293.db2.gz MLBKHRGHAVMKRN-UHFFFAOYSA-N 1 0 419.428 4.437 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000484851470 900245065 /nfs/dbraw/zinc/24/50/65/900245065.db2.gz AJIJORDBPMTYSF-JTQLQIEISA-N 1 0 417.771 4.436 20 5 HIBDRO COC1CC[NH+](C2(CNc3ccc([N+](=O)[O-])cc3Br)CCCC2)CC1 ZINC000485168233 900465877 /nfs/dbraw/zinc/46/58/77/900465877.db2.gz XXQQUIJWALAKTJ-UHFFFAOYSA-N 1 0 412.328 4.193 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000485486783 900778409 /nfs/dbraw/zinc/77/84/09/900778409.db2.gz FNWSMXGIGFIVDL-UHFFFAOYSA-N 1 0 405.564 4.291 20 5 HIBDRO CSc1cccc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485500209 900789529 /nfs/dbraw/zinc/78/95/29/900789529.db2.gz XOJLLQYVCTVLNE-WMZOPIPTSA-N 1 0 413.543 4.347 20 5 HIBDRO CSc1cccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000485517666 900801236 /nfs/dbraw/zinc/80/12/36/900801236.db2.gz NMZOIKDWZJFNHG-UHFFFAOYSA-N 1 0 414.531 4.090 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000485682014 900932657 /nfs/dbraw/zinc/93/26/57/900932657.db2.gz JSYHSEROWHJRJC-CQSZACIVSA-N 1 0 419.428 4.152 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000486373093 901539055 /nfs/dbraw/zinc/53/90/55/901539055.db2.gz OWQGCWNEPPNRQP-QHCPKHFHSA-N 1 0 419.481 4.207 20 5 HIBDRO O=C(c1cc(NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000486449285 901608878 /nfs/dbraw/zinc/60/88/78/901608878.db2.gz IUNVQUPVAPCACN-LJQANCHMSA-N 1 0 414.531 4.141 20 5 HIBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000486804905 901864674 /nfs/dbraw/zinc/86/46/74/901864674.db2.gz MRSJDMUFSJMCHG-UHFFFAOYSA-N 1 0 414.425 4.040 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486850132 901896815 /nfs/dbraw/zinc/89/68/15/901896815.db2.gz MJDMFRZQYNQUCC-WZONZLPQSA-N 1 0 420.469 4.207 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3ccc(Oc4ccccc4)cc3)CC2)n1 ZINC000489029486 903134261 /nfs/dbraw/zinc/13/42/61/903134261.db2.gz ZCHPWXBEJWNRQR-UHFFFAOYSA-N 1 0 408.458 4.300 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)n1 ZINC000489049321 903154395 /nfs/dbraw/zinc/15/43/95/903154395.db2.gz YGUBZGXAUHUEPH-UHFFFAOYSA-N 1 0 410.449 4.347 20 5 HIBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000489084472 903185747 /nfs/dbraw/zinc/18/57/47/903185747.db2.gz UESWUPNMWBUDKS-GAJHUEQPSA-N 1 0 408.502 4.334 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000489878226 903648044 /nfs/dbraw/zinc/64/80/44/903648044.db2.gz XJVHRSXPIZYTMT-SFHVURJKSA-N 1 0 410.518 4.450 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492960435 904966984 /nfs/dbraw/zinc/96/69/84/904966984.db2.gz MGMFJAGYKMHKMK-AZUAARDMSA-N 1 0 410.518 4.128 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)ccc1OCc1ccncc1 ZINC000493005800 904982871 /nfs/dbraw/zinc/98/28/71/904982871.db2.gz AGXLSQNREMDTQD-MRXNPFEDSA-N 1 0 423.469 4.437 20 5 HIBDRO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512386360 921123311 /nfs/dbraw/zinc/12/33/11/921123311.db2.gz FOQBRKWCZDEBGU-NVXWUHKLSA-N 1 0 400.548 4.461 20 5 HIBDRO CC(C)(C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000493726652 905203442 /nfs/dbraw/zinc/20/34/42/905203442.db2.gz VBAOBMUPESQQHC-UHFFFAOYSA-N 1 0 421.541 4.387 20 5 HIBDRO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000494257717 905581838 /nfs/dbraw/zinc/58/18/38/905581838.db2.gz TZLGRLWEDKCXRH-QZTJIDSGSA-N 1 0 411.502 4.024 20 5 HIBDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000494375499 905672295 /nfs/dbraw/zinc/67/22/95/905672295.db2.gz QEDHAUXVJYJLDH-JZXOWHBKSA-N 1 0 406.490 4.145 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494427334 905714195 /nfs/dbraw/zinc/71/41/95/905714195.db2.gz SOLSCCVHDDGSID-HUUCEWRRSA-N 1 0 412.519 4.305 20 5 HIBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000512457354 921174589 /nfs/dbraw/zinc/17/45/89/921174589.db2.gz RXMGJCIAAAQSSA-HNNXBMFYSA-N 1 0 419.909 4.492 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494497254 905785543 /nfs/dbraw/zinc/78/55/43/905785543.db2.gz WFMZCAFPGLULFN-QUCCMNQESA-N 1 0 421.856 4.144 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494497252 905786231 /nfs/dbraw/zinc/78/62/31/905786231.db2.gz WFMZCAFPGLULFN-AZUAARDMSA-N 1 0 421.856 4.144 20 5 HIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(N2CCOCC2)c1 ZINC000494512348 905803497 /nfs/dbraw/zinc/80/34/97/905803497.db2.gz RXIUSROSSFFPPU-CQSZACIVSA-N 1 0 409.408 4.301 20 5 HIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c1 ZINC000494561753 905837218 /nfs/dbraw/zinc/83/72/18/905837218.db2.gz DMVFLFUTIJDWQE-UHFFFAOYSA-N 1 0 404.392 4.191 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495178815 906288770 /nfs/dbraw/zinc/28/87/70/906288770.db2.gz VHUDBEXDIPWZEV-IBGZPJMESA-N 1 0 400.475 4.230 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000496867903 906770974 /nfs/dbraw/zinc/77/09/74/906770974.db2.gz LPDXKSRKUJYFTB-INIZCTEOSA-N 1 0 408.458 4.497 20 5 HIBDRO COc1ccc(CCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000497471933 906954455 /nfs/dbraw/zinc/95/44/55/906954455.db2.gz ISSOCUULAHQWFW-AWEZNQCLSA-N 1 0 405.882 4.148 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497483604 906964545 /nfs/dbraw/zinc/96/45/45/906964545.db2.gz SGXMZYHSAABLMO-UHFFFAOYSA-N 1 0 412.490 4.301 20 5 HIBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000512739775 921299704 /nfs/dbraw/zinc/29/97/04/921299704.db2.gz LRLLVHUZNCVPPF-UHFFFAOYSA-N 1 0 423.439 4.023 20 5 HIBDRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497910592 907382127 /nfs/dbraw/zinc/38/21/27/907382127.db2.gz LAOYWBMLVRKRDO-FQEVSTJZSA-N 1 0 424.888 4.363 20 5 HIBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000498005601 907492903 /nfs/dbraw/zinc/49/29/03/907492903.db2.gz HXOVBDGZRALQDA-UHFFFAOYSA-N 1 0 420.307 4.346 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498128866 907647586 /nfs/dbraw/zinc/64/75/86/907647586.db2.gz FQBXXEIKLQAIRG-PKOBYXMFSA-N 1 0 418.497 4.268 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCCC2)cc1 ZINC000498186901 907721519 /nfs/dbraw/zinc/72/15/19/907721519.db2.gz CKQZQVUFWIUZIS-OAQYLSRUSA-N 1 0 404.470 4.018 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498336687 907845817 /nfs/dbraw/zinc/84/58/17/907845817.db2.gz XKPKLABANVULSM-IBGZPJMESA-N 1 0 418.497 4.127 20 5 HIBDRO CCC[C@]1([NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CCOC1 ZINC000512858651 921361314 /nfs/dbraw/zinc/36/13/14/921361314.db2.gz YFWOADFEXIMPKX-QFIPXVFZSA-N 1 0 400.475 4.231 20 5 HIBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000498454306 907917125 /nfs/dbraw/zinc/91/71/25/907917125.db2.gz MFJWFSQPBRBTBN-ROUUACIJSA-N 1 0 416.566 4.024 20 5 HIBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000498454305 907917715 /nfs/dbraw/zinc/91/77/15/907917715.db2.gz MFJWFSQPBRBTBN-QZTJIDSGSA-N 1 0 416.566 4.024 20 5 HIBDRO CCC[C@@]1([NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CCOC1 ZINC000512880436 921375583 /nfs/dbraw/zinc/37/55/83/921375583.db2.gz UKARFINJZMMVDL-JOCHJYFZSA-N 1 0 400.475 4.231 20 5 HIBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000512885279 921379061 /nfs/dbraw/zinc/37/90/61/921379061.db2.gz NMELXMPWZZNUHI-CHWSQXEVSA-N 1 0 409.280 4.380 20 5 HIBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000512885281 921381181 /nfs/dbraw/zinc/38/11/81/921381181.db2.gz NMELXMPWZZNUHI-QWHCGFSZSA-N 1 0 409.280 4.380 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCC3(O)CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000512885290 921380294 /nfs/dbraw/zinc/38/02/94/921380294.db2.gz NQYLICKUVYVSHK-UHFFFAOYSA-N 1 0 402.516 4.076 20 5 HIBDRO C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498718733 908143544 /nfs/dbraw/zinc/14/35/44/908143544.db2.gz TXMAFJRBSJGGKI-QUCCMNQESA-N 1 0 422.529 4.179 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCC2(O)CCOCC2)cc1 ZINC000512888925 921383778 /nfs/dbraw/zinc/38/37/78/921383778.db2.gz COAJXUWOOBDDQP-UHFFFAOYSA-N 1 0 406.866 4.062 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000500448699 909865883 /nfs/dbraw/zinc/86/58/83/909865883.db2.gz RTAXTDYHSLJUQN-UHFFFAOYSA-N 1 0 402.619 4.143 20 5 HIBDRO CC(C)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000500882887 910156034 /nfs/dbraw/zinc/15/60/34/910156034.db2.gz BEZRNTWQXPRASA-UHFFFAOYSA-N 1 0 420.307 4.000 20 5 HIBDRO Cc1cccc(C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccn2)c1 ZINC000501059628 910268828 /nfs/dbraw/zinc/26/88/28/910268828.db2.gz NJSZYBRPYAMDCA-UHFFFAOYSA-N 1 0 404.470 4.329 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513153749 921588153 /nfs/dbraw/zinc/58/81/53/921588153.db2.gz LMEWBNRASGDBNI-NRFANRHFSA-N 1 0 422.485 4.216 20 5 HIBDRO CCCn1nccc1C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000501562686 910670777 /nfs/dbraw/zinc/67/07/77/910670777.db2.gz ZCSXMQWYEOUEON-UHFFFAOYSA-N 1 0 409.490 4.278 20 5 HIBDRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)no1 ZINC000506311035 914900810 /nfs/dbraw/zinc/90/08/10/914900810.db2.gz AMSJYRFIYDGICM-UHFFFAOYSA-N 1 0 410.430 4.002 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506472721 915071634 /nfs/dbraw/zinc/07/16/34/915071634.db2.gz GSEIMUXDKHILOF-FGTMMUONSA-N 1 0 413.522 4.292 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474782 915074334 /nfs/dbraw/zinc/07/43/34/915074334.db2.gz POWCYSJCGABJFL-RBUKOAKNSA-N 1 0 412.534 4.379 20 5 HIBDRO COc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506552827 915197607 /nfs/dbraw/zinc/19/76/07/915197607.db2.gz OWKYCZZEOXEDKW-LJQANCHMSA-N 1 0 412.486 4.183 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCN(c4ccccc4F)CC3)o2)c1 ZINC000513392322 921763617 /nfs/dbraw/zinc/76/36/17/921763617.db2.gz OYZWOLJUIWDWOD-UHFFFAOYSA-N 1 0 410.449 4.144 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)o1 ZINC000506745315 915436408 /nfs/dbraw/zinc/43/64/08/915436408.db2.gz WHKLHDCNDAXHCS-UHFFFAOYSA-N 1 0 403.442 4.277 20 5 HIBDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000507178177 915923411 /nfs/dbraw/zinc/92/34/11/915923411.db2.gz IGOAKPGFVCBQQI-UHFFFAOYSA-N 1 0 408.458 4.143 20 5 HIBDRO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507631854 916389698 /nfs/dbraw/zinc/38/96/98/916389698.db2.gz ASMJXIFPEKRQKC-UHFFFAOYSA-N 1 0 411.502 4.120 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)c(F)c1 ZINC000507842521 916651973 /nfs/dbraw/zinc/65/19/73/916651973.db2.gz XRTBYFMRBBEKAA-UHFFFAOYSA-N 1 0 417.444 4.331 20 5 HIBDRO COc1ccc(C[NH2+]CCc2ccccc2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508073586 916894885 /nfs/dbraw/zinc/89/48/85/916894885.db2.gz XPGXANILGHYXDH-UHFFFAOYSA-N 1 0 408.454 4.220 20 5 HIBDRO CCc1ccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[NH+](C)C)cc1 ZINC000509369145 918034407 /nfs/dbraw/zinc/03/44/07/918034407.db2.gz BTXAKPKPDOUXJV-JOCHJYFZSA-N 1 0 412.534 4.380 20 5 HIBDRO CCOc1ccc(C2=CC[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 ZINC000509414061 918075467 /nfs/dbraw/zinc/07/54/67/918075467.db2.gz DZRQASSWRNZWDT-UHFFFAOYSA-N 1 0 423.469 4.081 20 5 HIBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000509691817 918322432 /nfs/dbraw/zinc/32/24/32/918322432.db2.gz FEQLEPIHEJYGTB-ZENOOKHLSA-N 1 0 424.339 4.143 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509950168 918546659 /nfs/dbraw/zinc/54/66/59/918546659.db2.gz YWYIMAHBNQKAIO-HXUWFJFHSA-N 1 0 422.485 4.083 20 5 HIBDRO CCOc1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510112903 918674389 /nfs/dbraw/zinc/67/43/89/918674389.db2.gz MQZSIPOOWBVOJJ-HKUYNNGSSA-N 1 0 411.502 4.024 20 5 HIBDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000510478145 918931849 /nfs/dbraw/zinc/93/18/49/918931849.db2.gz ZJKUIRMEOKITSW-GOSISDBHSA-N 1 0 409.408 4.313 20 5 HIBDRO C[C@H]1CN(C2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCO1 ZINC000510520733 918966600 /nfs/dbraw/zinc/96/66/00/918966600.db2.gz LFCMTESNGSLJMX-INIZCTEOSA-N 1 0 401.532 4.008 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510538393 918983795 /nfs/dbraw/zinc/98/37/95/918983795.db2.gz LZVNOWWQRWEYMN-IBGZPJMESA-N 1 0 422.485 4.285 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000510555942 918999539 /nfs/dbraw/zinc/99/95/39/918999539.db2.gz WPIQLRBXFMHGSP-QRWLVFNGSA-N 1 0 401.482 4.128 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510554528 918999623 /nfs/dbraw/zinc/99/96/23/918999623.db2.gz QYRJGFIYTUSDHQ-LJQANCHMSA-N 1 0 422.485 4.285 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511248593 919848059 /nfs/dbraw/zinc/84/80/59/919848059.db2.gz JHHJDNYUAKTCFG-HZPDHXFCSA-N 1 0 405.564 4.480 20 5 HIBDRO COc1cc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000511365948 919959472 /nfs/dbraw/zinc/95/94/72/919959472.db2.gz RUSLBNFBORUKIX-UHFFFAOYSA-N 1 0 419.481 4.262 20 5 HIBDRO Cc1c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cccc1[N+](=O)[O-] ZINC000511903528 920640867 /nfs/dbraw/zinc/64/08/67/920640867.db2.gz QVZRBAUIOOMBMO-NRFANRHFSA-N 1 0 410.518 4.003 20 5 HIBDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000512078644 920843113 /nfs/dbraw/zinc/84/31/13/920843113.db2.gz UXIGOQYWFQSLQP-UTKZUKDTSA-N 1 0 410.518 4.256 20 5 HIBDRO COc1ccc(OCC[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000512184926 920928309 /nfs/dbraw/zinc/92/83/09/920928309.db2.gz IUPSSSFTXCIPJR-MRXNPFEDSA-N 1 0 415.273 4.002 20 5 HIBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513444395 921811110 /nfs/dbraw/zinc/81/11/10/921811110.db2.gz VDHIGWRGAWIQGJ-HNNXBMFYSA-N 1 0 420.307 4.286 20 5 HIBDRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513483464 921838176 /nfs/dbraw/zinc/83/81/76/921838176.db2.gz DFSVOMLAAOOBIZ-GOSISDBHSA-N 1 0 423.307 4.008 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513663120 921984531 /nfs/dbraw/zinc/98/45/31/921984531.db2.gz DNDIEKPOARZGHA-UHFFFAOYSA-N 1 0 419.428 4.477 20 5 HIBDRO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000513789002 922116414 /nfs/dbraw/zinc/11/64/14/922116414.db2.gz BAUMNPFTOKNASX-ZEYPLWLESA-N 1 0 420.513 4.427 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000513909697 922232180 /nfs/dbraw/zinc/23/21/80/922232180.db2.gz QTPSSFAKVQXLIE-HXUWFJFHSA-N 1 0 406.486 4.107 20 5 HIBDRO CC1(C)C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000514076835 922400815 /nfs/dbraw/zinc/40/08/15/922400815.db2.gz FVRFKNFFVNBHOV-LJQANCHMSA-N 1 0 406.486 4.495 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC ZINC000514786587 922802070 /nfs/dbraw/zinc/80/20/70/922802070.db2.gz HEHPTPZQQBGTHC-GJZGRUSLSA-N 1 0 401.463 4.070 20 5 HIBDRO CCC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCc2sccc2C1 ZINC000514991472 922870273 /nfs/dbraw/zinc/87/02/73/922870273.db2.gz VDJMSRNOICQURD-UXHICEINSA-N 1 0 413.543 4.377 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000515747742 923321479 /nfs/dbraw/zinc/32/14/79/923321479.db2.gz KUYWKIWMSAQSEN-ROUUACIJSA-N 1 0 410.518 4.072 20 5 HIBDRO C[N@H+](Cc1ccccc1CNC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000515981123 923476972 /nfs/dbraw/zinc/47/69/72/923476972.db2.gz LUQXLPZBXXACLN-UHFFFAOYSA-N 1 0 411.502 4.055 20 5 HIBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000517204440 924051487 /nfs/dbraw/zinc/05/14/87/924051487.db2.gz VTQWITHQGDDWFD-UHFFFAOYSA-N 1 0 402.426 4.243 20 5 HIBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2[N+](=O)[O-])C1 ZINC000517302733 924088396 /nfs/dbraw/zinc/08/83/96/924088396.db2.gz CEQSUJDTCKZXDH-CALCHBBNSA-N 1 0 410.518 4.391 20 5 HIBDRO Cc1cccc([C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N2CCOCC2)c1 ZINC000517536044 924252469 /nfs/dbraw/zinc/25/24/69/924252469.db2.gz PHDKGPYFPAUMLJ-QHCPKHFHSA-N 1 0 421.497 4.326 20 5 HIBDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000517556425 924263889 /nfs/dbraw/zinc/26/38/89/924263889.db2.gz OAXSVQJNVULQBZ-ZHRRBRCNSA-N 1 0 408.502 4.172 20 5 HIBDRO CC[NH+](CC)C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000518275440 927133085 /nfs/dbraw/zinc/13/30/85/927133085.db2.gz FFEPHJFANLOXBN-CYBMUJFWSA-N 1 0 410.312 4.437 20 5 HIBDRO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCCc2ccccc21 ZINC000518277458 927134913 /nfs/dbraw/zinc/13/49/13/927134913.db2.gz OGCJWQNGWXKMSV-UHFFFAOYSA-N 1 0 407.495 4.392 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)C[C@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518279063 927137329 /nfs/dbraw/zinc/13/73/29/927137329.db2.gz UYQLAKGZKOZMHF-OXJNMPFZSA-N 1 0 400.475 4.230 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)C[C@@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518279065 927138018 /nfs/dbraw/zinc/13/80/18/927138018.db2.gz UYQLAKGZKOZMHF-UZLBHIALSA-N 1 0 400.475 4.230 20 5 HIBDRO C[NH+](C)CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000518391638 927237806 /nfs/dbraw/zinc/23/78/06/927237806.db2.gz IGZDIRFDHCBTMB-UHFFFAOYSA-N 1 0 406.486 4.106 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000518519831 927322425 /nfs/dbraw/zinc/32/24/25/927322425.db2.gz HAJDMNWQJYNZHE-UHFFFAOYSA-N 1 0 402.882 4.282 20 5 HIBDRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000518847876 927552003 /nfs/dbraw/zinc/55/20/03/927552003.db2.gz IPZRMXPBPKNLRC-UHFFFAOYSA-N 1 0 424.545 4.129 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000520237238 928404534 /nfs/dbraw/zinc/40/45/34/928404534.db2.gz YQVACOYTNFTSGY-HUUCEWRRSA-N 1 0 419.909 4.261 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000520313816 928475071 /nfs/dbraw/zinc/47/50/71/928475071.db2.gz PGZDCHPIAJESMK-OAHLLOKOSA-N 1 0 420.469 4.475 20 5 HIBDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000520951068 928886304 /nfs/dbraw/zinc/88/63/04/928886304.db2.gz NNKTZDIQHYNPFL-UHFFFAOYSA-N 1 0 418.497 4.354 20 5 HIBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]CCNC(=O)C3CC3)cc2[N+](=O)[O-])cc1 ZINC000520960640 928890907 /nfs/dbraw/zinc/89/09/07/928890907.db2.gz HRLGUQPHQUDNKW-UHFFFAOYSA-N 1 0 411.502 4.300 20 5 HIBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]CCCS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000520960269 928890995 /nfs/dbraw/zinc/89/09/95/928890995.db2.gz WVPUFBVIKHFPQU-UHFFFAOYSA-N 1 0 420.531 4.209 20 5 HIBDRO COc1cc(OC)c(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 ZINC000521338460 929152805 /nfs/dbraw/zinc/15/28/05/929152805.db2.gz MJESHUYVWGYDLY-UHFFFAOYSA-N 1 0 412.442 4.213 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])cc1 ZINC000521930974 929570941 /nfs/dbraw/zinc/57/09/41/929570941.db2.gz JZYQDRDIPQGRRG-GOSISDBHSA-N 1 0 411.527 4.363 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])cc1 ZINC000521930975 929571308 /nfs/dbraw/zinc/57/13/08/929571308.db2.gz JZYQDRDIPQGRRG-SFHVURJKSA-N 1 0 411.527 4.363 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000524945193 929907511 /nfs/dbraw/zinc/90/75/11/929907511.db2.gz ONZDORKERQHSAV-HOYKHHGWSA-N 1 0 421.497 4.234 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000525057926 930008343 /nfs/dbraw/zinc/00/83/43/930008343.db2.gz YYRSBWDUSGEVPG-IIBYNOLFSA-N 1 0 416.547 4.048 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C1CCOCC1 ZINC000530567534 930751853 /nfs/dbraw/zinc/75/18/53/930751853.db2.gz FMBPRKNXXSUFCL-NRFANRHFSA-N 1 0 414.502 4.477 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000530994149 930879179 /nfs/dbraw/zinc/87/91/79/930879179.db2.gz VPFNTIKZCOZGDK-IFXJQAMLSA-N 1 0 404.898 4.220 20 5 HIBDRO Cc1cc(N2CCC([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nc(C)n1 ZINC000531163955 930949796 /nfs/dbraw/zinc/94/97/96/930949796.db2.gz HPOMJEIBTCSRHK-UHFFFAOYSA-N 1 0 423.542 4.489 20 5 HIBDRO COc1cc(C[NH2+]CC2CCC(OC)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531176420 930953109 /nfs/dbraw/zinc/95/31/09/930953109.db2.gz PLZRTUXBSDJSAH-UHFFFAOYSA-N 1 0 414.502 4.477 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531864603 931227065 /nfs/dbraw/zinc/22/70/65/931227065.db2.gz OXXCQJSAWCXKFT-NJYVYQBISA-N 1 0 412.486 4.230 20 5 HIBDRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000531970509 931270398 /nfs/dbraw/zinc/27/03/98/931270398.db2.gz ZGQXJDKYMRWBOD-INIZCTEOSA-N 1 0 402.564 4.485 20 5 HIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000532067789 931301761 /nfs/dbraw/zinc/30/17/61/931301761.db2.gz ATMLCDMVZBBPNW-CYBMUJFWSA-N 1 0 400.788 4.031 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532615621 931555041 /nfs/dbraw/zinc/55/50/41/931555041.db2.gz FSLYURFLUGDKDL-ZHRRBRCNSA-N 1 0 400.475 4.018 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000532967152 931717355 /nfs/dbraw/zinc/71/73/55/931717355.db2.gz GUWZDCJCXSKPRT-SFHVURJKSA-N 1 0 401.463 4.451 20 5 HIBDRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000533373007 931852011 /nfs/dbraw/zinc/85/20/11/931852011.db2.gz XDNMVOQBGYMSCN-UHFFFAOYSA-N 1 0 418.291 4.208 20 5 HIBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000533438371 931869184 /nfs/dbraw/zinc/86/91/84/931869184.db2.gz DXRRXAJLZPUDBZ-YCRPNKLZSA-N 1 0 411.433 4.393 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000533848000 932059017 /nfs/dbraw/zinc/05/90/17/932059017.db2.gz JFOTZMPFUANKOD-UHFFFAOYSA-N 1 0 412.490 4.079 20 5 HIBDRO COc1ccc(NC(=O)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000533962806 932137750 /nfs/dbraw/zinc/13/77/50/932137750.db2.gz ZIUNSECLHHJZBF-JOCHJYFZSA-N 1 0 405.454 4.116 20 5 HIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)nc2c1 ZINC000534219005 932338848 /nfs/dbraw/zinc/33/88/48/932338848.db2.gz CKZZVNHEEZUZCD-QGZVFWFLSA-N 1 0 421.501 4.296 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000535115198 932933184 /nfs/dbraw/zinc/93/31/84/932933184.db2.gz DLRLIBPPFGGOLF-OFNKIYASSA-N 1 0 423.513 4.332 20 5 HIBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535206674 933014493 /nfs/dbraw/zinc/01/44/93/933014493.db2.gz OPHCKNNHGVDARM-IBGZPJMESA-N 1 0 421.501 4.055 20 5 HIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)c1 ZINC000535342250 933082613 /nfs/dbraw/zinc/08/26/13/933082613.db2.gz YTIXOMXITFWQHJ-UHFFFAOYSA-N 1 0 401.264 4.080 20 5 HIBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682030 933333889 /nfs/dbraw/zinc/33/38/89/933333889.db2.gz UPUVLKLUDCSWSP-LIRRHRJNSA-N 1 0 405.857 4.119 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C4CC[NH+](C)CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000535916555 933489931 /nfs/dbraw/zinc/48/99/31/933489931.db2.gz ZKLJCHITCYPHFQ-FQEVSTJZSA-N 1 0 422.529 4.324 20 5 HIBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000537631465 938341601 /nfs/dbraw/zinc/34/16/01/938341601.db2.gz MXCALUMZEUDQHW-YLJYHZDGSA-N 1 0 413.518 4.097 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537648639 938345882 /nfs/dbraw/zinc/34/58/82/938345882.db2.gz WXWZCKJSXIHTBF-PMACEKPBSA-N 1 0 412.486 4.041 20 5 HIBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000537721254 938362812 /nfs/dbraw/zinc/36/28/12/938362812.db2.gz XTGIPGHPAQJETQ-UHFFFAOYSA-N 1 0 401.850 4.032 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000537963942 938437051 /nfs/dbraw/zinc/43/70/51/938437051.db2.gz AIDDNACVQCSSPF-WBMJQRKESA-N 1 0 409.280 4.140 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000537969989 938439864 /nfs/dbraw/zinc/43/98/64/938439864.db2.gz BGHFUVGIVGGUBY-LLVKDONJSA-N 1 0 412.227 4.059 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537991302 938453216 /nfs/dbraw/zinc/45/32/16/938453216.db2.gz QWQXTBLURGEBLS-OAQYLSRUSA-N 1 0 417.531 4.010 20 5 HIBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000538155507 938526470 /nfs/dbraw/zinc/52/64/70/938526470.db2.gz YFWGCNGYXADSCE-QGZVFWFLSA-N 1 0 410.474 4.337 20 5 HIBDRO CN(C(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000538167548 938532943 /nfs/dbraw/zinc/53/29/43/938532943.db2.gz ONWDPYNXQMSGQS-OAQYLSRUSA-N 1 0 423.444 4.107 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000538210377 938557641 /nfs/dbraw/zinc/55/76/41/938557641.db2.gz HKYMSNRNUUWQRU-HNNXBMFYSA-N 1 0 420.916 4.380 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000538278668 938581954 /nfs/dbraw/zinc/58/19/54/938581954.db2.gz FLFIOVZQRXEMRE-LBPRGKRZSA-N 1 0 413.371 4.028 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000538430106 938617968 /nfs/dbraw/zinc/61/79/68/938617968.db2.gz SESAGBQBTBLZOP-UHFFFAOYSA-N 1 0 414.469 4.233 20 5 HIBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000538736874 938696904 /nfs/dbraw/zinc/69/69/04/938696904.db2.gz LCBRRFCVJKJNMQ-MJGOQNOKSA-N 1 0 408.545 4.111 20 5 HIBDRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)C2 ZINC000538738167 938697847 /nfs/dbraw/zinc/69/78/47/938697847.db2.gz DAHZXONZYSYHRJ-NRFANRHFSA-N 1 0 415.877 4.143 20 5 HIBDRO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000538782594 938709059 /nfs/dbraw/zinc/70/90/59/938709059.db2.gz UTQXFFKNASELKC-KRWDZBQOSA-N 1 0 424.476 4.310 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000538877185 938729756 /nfs/dbraw/zinc/72/97/56/938729756.db2.gz NXRXZLPRKVUBHV-UWJYYQICSA-N 1 0 418.877 4.468 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1)CC1CC1 ZINC000538916021 938737415 /nfs/dbraw/zinc/73/74/15/938737415.db2.gz FFMLPGAYPRFODO-UHFFFAOYSA-N 1 0 410.518 4.117 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000538915901 938737569 /nfs/dbraw/zinc/73/75/69/938737569.db2.gz ANBLNVCDHGLQOC-QGZVFWFLSA-N 1 0 419.591 4.436 20 5 HIBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000539073258 938794216 /nfs/dbraw/zinc/79/42/16/938794216.db2.gz KPJXSIOJWVQEOG-UHFFFAOYSA-N 1 0 416.481 4.005 20 5 HIBDRO CCc1noc(-c2ccc(CC[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)n1 ZINC000539077981 938796836 /nfs/dbraw/zinc/79/68/36/938796836.db2.gz PNBCQAFVIMVCQU-HXUWFJFHSA-N 1 0 406.486 4.361 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000539094580 938801990 /nfs/dbraw/zinc/80/19/90/938801990.db2.gz WPOSXJMAOBJWMW-JQHSSLGASA-N 1 0 407.470 4.243 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000539286652 938833987 /nfs/dbraw/zinc/83/39/87/938833987.db2.gz GBCOPENEGOBRHI-UONOGXRCSA-N 1 0 413.865 4.112 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000539301392 938837037 /nfs/dbraw/zinc/83/70/37/938837037.db2.gz GROWSVGSBNYLRX-CQSZACIVSA-N 1 0 403.504 4.393 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c([N+](=O)[O-])c1 ZINC000539324602 938841432 /nfs/dbraw/zinc/84/14/32/938841432.db2.gz ANUNYLRAPNAPJI-OAQYLSRUSA-N 1 0 401.438 4.202 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000539327137 938842235 /nfs/dbraw/zinc/84/22/35/938842235.db2.gz UYTGNDYRWFUURY-CQSZACIVSA-N 1 0 401.438 4.120 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000539333491 938843225 /nfs/dbraw/zinc/84/32/25/938843225.db2.gz CVLPVLKZZZOZGT-HOTGVXAUSA-N 1 0 420.469 4.343 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539635534 938891371 /nfs/dbraw/zinc/89/13/71/938891371.db2.gz SYYPPJVRDQZAIK-GJZGRUSLSA-N 1 0 420.428 4.228 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000539672906 938898392 /nfs/dbraw/zinc/89/83/92/938898392.db2.gz IODLRBZVMZLJID-QGZVFWFLSA-N 1 0 405.564 4.435 20 5 HIBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539826270 938948306 /nfs/dbraw/zinc/94/83/06/938948306.db2.gz FDCABJIYMUTGFC-HXUWFJFHSA-N 1 0 414.502 4.431 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1)CC1CC1 ZINC000540032739 939044857 /nfs/dbraw/zinc/04/48/57/939044857.db2.gz BUACVAWZRHWKQQ-UHFFFAOYSA-N 1 0 407.942 4.151 20 5 HIBDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000540140256 939088154 /nfs/dbraw/zinc/08/81/54/939088154.db2.gz LUHSHQPGIPFIGP-YFVAEKQCSA-N 1 0 416.543 4.148 20 5 HIBDRO O=C(CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000540173805 939103550 /nfs/dbraw/zinc/10/35/50/939103550.db2.gz HGXIWLCCMCJTTQ-XMSQKQJNSA-N 1 0 407.514 4.218 20 5 HIBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C ZINC000540354974 939206035 /nfs/dbraw/zinc/20/60/35/939206035.db2.gz WJGPYADTHOAFFR-ZDUSSCGKSA-N 1 0 421.881 4.333 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408013 939237582 /nfs/dbraw/zinc/23/75/82/939237582.db2.gz OCIPDGLNCBVBNA-IRXDYDNUSA-N 1 0 400.498 4.288 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000540437483 939249336 /nfs/dbraw/zinc/24/93/36/939249336.db2.gz BTPICOPOKWPXHF-CYBMUJFWSA-N 1 0 418.400 4.241 20 5 HIBDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000540459583 939260265 /nfs/dbraw/zinc/26/02/65/939260265.db2.gz NPNCQXAZKKIBIT-DYESRHJHSA-N 1 0 422.481 4.361 20 5 HIBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000540466717 939263760 /nfs/dbraw/zinc/26/37/60/939263760.db2.gz GYHNJBAWQIKCGT-MRXNPFEDSA-N 1 0 407.474 4.077 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000540476787 939267938 /nfs/dbraw/zinc/26/79/38/939267938.db2.gz RIWKEBYPRSEHOK-INIZCTEOSA-N 1 0 419.485 4.256 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000540478444 939268974 /nfs/dbraw/zinc/26/89/74/939268974.db2.gz GRSPZTAKOQTUHN-RYUDHWBXSA-N 1 0 402.451 4.330 20 5 HIBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000540554242 939303194 /nfs/dbraw/zinc/30/31/94/939303194.db2.gz METLOXYPZUDBFG-ZUURVNMSSA-N 1 0 423.513 4.350 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000541166119 939483887 /nfs/dbraw/zinc/48/38/87/939483887.db2.gz YSDXEHUPKQBEKR-UHFFFAOYSA-N 1 0 402.539 4.143 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000541328494 939491068 /nfs/dbraw/zinc/49/10/68/939491068.db2.gz PWOUPHBWVCHXFM-LJQANCHMSA-N 1 0 408.907 4.153 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000541424969 939513016 /nfs/dbraw/zinc/51/30/16/939513016.db2.gz HPANWBDQQOJTNM-LZWOXQAQSA-N 1 0 411.955 4.204 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]CCCNC(=O)c2occc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541564899 939556481 /nfs/dbraw/zinc/55/64/81/939556481.db2.gz IKVCJWSRKVXTPY-FQEVSTJZSA-N 1 0 411.458 4.151 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000541571074 939557942 /nfs/dbraw/zinc/55/79/42/939557942.db2.gz OAULQXHVEUXFFP-CQSZACIVSA-N 1 0 414.437 4.466 20 5 HIBDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000541634236 939577736 /nfs/dbraw/zinc/57/77/36/939577736.db2.gz QHWHXUUVBXYUNN-OFQRWUPVSA-N 1 0 412.408 4.135 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541693681 939606737 /nfs/dbraw/zinc/60/67/37/939606737.db2.gz NQKUDPDYXFCFQD-OAHLLOKOSA-N 1 0 403.454 4.197 20 5 HIBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541695722 939607372 /nfs/dbraw/zinc/60/73/72/939607372.db2.gz QFRIRMVRPONXDV-KRWDZBQOSA-N 1 0 405.564 4.337 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541702954 939609224 /nfs/dbraw/zinc/60/92/24/939609224.db2.gz AVFHHORHIWQVCF-NQIIRXRSSA-N 1 0 415.465 4.223 20 5 HIBDRO COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCCC2)cc1 ZINC000541780469 939628248 /nfs/dbraw/zinc/62/82/48/939628248.db2.gz NSILWHCFRAYBRB-FQEVSTJZSA-N 1 0 416.453 4.091 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542328846 939801276 /nfs/dbraw/zinc/80/12/76/939801276.db2.gz NHOGWOPMEFJZFT-GJZGRUSLSA-N 1 0 413.971 4.215 20 5 HIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000542544802 939841664 /nfs/dbraw/zinc/84/16/64/939841664.db2.gz MGESYBFUZXBOBU-STQMWFEESA-N 1 0 406.280 4.078 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000542557395 939843334 /nfs/dbraw/zinc/84/33/34/939843334.db2.gz UTCLSKUHCXFXEK-QGZVFWFLSA-N 1 0 419.481 4.352 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000542631485 939850450 /nfs/dbraw/zinc/85/04/50/939850450.db2.gz DIFONTBICBUCHS-NQIIRXRSSA-N 1 0 415.465 4.223 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000542701989 939855268 /nfs/dbraw/zinc/85/52/68/939855268.db2.gz RVZCOGZFJCVSER-FQEVSTJZSA-N 1 0 423.435 4.085 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000542714266 939856091 /nfs/dbraw/zinc/85/60/91/939856091.db2.gz YGIAGIKDQUZVKM-IBGZPJMESA-N 1 0 416.453 4.091 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000543073075 939924206 /nfs/dbraw/zinc/92/42/06/939924206.db2.gz RNRPZLLUSGBKSD-GJZGRUSLSA-N 1 0 410.474 4.011 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC3(CCC[N@@H+]3C)CC2)cc1OC ZINC000543196538 939992699 /nfs/dbraw/zinc/99/26/99/939992699.db2.gz DJPAZWJXNISHTH-QGZVFWFLSA-N 1 0 405.539 4.089 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000543281730 940017410 /nfs/dbraw/zinc/01/74/10/940017410.db2.gz MKYIFXCHRJFHNW-MRXNPFEDSA-N 1 0 423.922 4.195 20 5 HIBDRO CC(C)([C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543401468 940052077 /nfs/dbraw/zinc/05/20/77/940052077.db2.gz OXAQPWVMZKMHGX-NRFANRHFSA-N 1 0 417.456 4.147 20 5 HIBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543556582 940107418 /nfs/dbraw/zinc/10/74/18/940107418.db2.gz FXLNRXREVDVEGV-QFBILLFUSA-N 1 0 421.856 4.178 20 5 HIBDRO C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000543561518 940109285 /nfs/dbraw/zinc/10/92/85/940109285.db2.gz RCCPSIHTHKFTSL-VLIAUNLRSA-N 1 0 419.884 4.444 20 5 HIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560975 940109613 /nfs/dbraw/zinc/10/96/13/940109613.db2.gz ROYHAHAFTDGCMB-RBUKOAKNSA-N 1 0 412.421 4.136 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000543594118 940124203 /nfs/dbraw/zinc/12/42/03/940124203.db2.gz CYQTVRVFYFGYEB-AWEZNQCLSA-N 1 0 407.495 4.460 20 5 HIBDRO CCN1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000544029176 940303936 /nfs/dbraw/zinc/30/39/36/940303936.db2.gz SKKGWWZEDMTSHC-WRMMAZNSSA-N 1 0 405.420 4.450 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000544403290 940413539 /nfs/dbraw/zinc/41/35/39/940413539.db2.gz GSDMULZTWSYCRH-UHFFFAOYSA-N 1 0 422.407 4.400 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000544464616 940442342 /nfs/dbraw/zinc/44/23/42/940442342.db2.gz WRZXZQSYRIGSFG-YCRPNKLZSA-N 1 0 417.481 4.045 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000544515655 940467399 /nfs/dbraw/zinc/46/73/99/940467399.db2.gz MQPPHOHXUMIXOA-HNYWDRBLSA-N 1 0 408.401 4.248 20 5 HIBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1 ZINC000544574202 940482449 /nfs/dbraw/zinc/48/24/49/940482449.db2.gz NCDWZCSFPFUYSI-LLVKDONJSA-N 1 0 403.287 4.026 20 5 HIBDRO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000544597405 940486943 /nfs/dbraw/zinc/48/69/43/940486943.db2.gz FACVLJWTNFYXSV-GOSISDBHSA-N 1 0 406.490 4.169 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc([C@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000544931972 940526320 /nfs/dbraw/zinc/52/63/20/940526320.db2.gz YQUILLIPWASHGI-IBGZPJMESA-N 1 0 418.375 4.351 20 5 HIBDRO O=[N+]([O-])c1ccc(NCCCc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cc1 ZINC000545674672 940580104 /nfs/dbraw/zinc/58/01/04/940580104.db2.gz ISIKTWXKJAJQQP-UHFFFAOYSA-N 1 0 407.474 4.285 20 5 HIBDRO COc1ccc(Cc2nc(-c3ccccc3C[NH+]3CCCCC3)no2)cc1[N+](=O)[O-] ZINC000545706769 940581681 /nfs/dbraw/zinc/58/16/81/940581681.db2.gz ZYQWRWHPZMIQRU-UHFFFAOYSA-N 1 0 408.458 4.230 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545872442 940646606 /nfs/dbraw/zinc/64/66/06/940646606.db2.gz JDWMDLLUJVOWPE-UHFFFAOYSA-N 1 0 401.482 4.170 20 5 HIBDRO CSc1cccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000564018274 945350774 /nfs/dbraw/zinc/35/07/74/945350774.db2.gz GDYSYKHPPCCOSI-GOSISDBHSA-N 1 0 417.531 4.137 20 5 HIBDRO Cc1cccc(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000546932603 940917651 /nfs/dbraw/zinc/91/76/51/940917651.db2.gz TVIPVYOJGMIDQU-ZDUSSCGKSA-N 1 0 406.280 4.263 20 5 HIBDRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000546936078 940918722 /nfs/dbraw/zinc/91/87/22/940918722.db2.gz PJZFOWLQKVEMJZ-CYBMUJFWSA-N 1 0 403.280 4.207 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(C4CC[NH+](Cc5ccccc5)CC4)n3)c2c1 ZINC000547197326 941028385 /nfs/dbraw/zinc/02/83/85/941028385.db2.gz MLQCRCOOXFLWCB-UHFFFAOYSA-N 1 0 417.469 4.430 20 5 HIBDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548761154 941123080 /nfs/dbraw/zinc/12/30/80/941123080.db2.gz KJXJGGUGJLPEFX-CQSZACIVSA-N 1 0 420.307 4.297 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000548959564 941134415 /nfs/dbraw/zinc/13/44/15/941134415.db2.gz WKADXWSFADFJSH-IBGZPJMESA-N 1 0 417.531 4.258 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC4(CCOCC4)[C@@H]3O)o2)c(Cl)c1 ZINC000548991874 941139738 /nfs/dbraw/zinc/13/97/38/941139738.db2.gz WSBNNBJFQDRTTR-JLTOFOAXSA-N 1 0 420.893 4.166 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000549008818 941142691 /nfs/dbraw/zinc/14/26/91/941142691.db2.gz HQWUWPINNPIUFB-UHFFFAOYSA-N 1 0 411.502 4.300 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000549078786 941153679 /nfs/dbraw/zinc/15/36/79/941153679.db2.gz JCYCKEBJPPEBGR-IEBWSBKVSA-N 1 0 410.392 4.094 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000549161330 941167204 /nfs/dbraw/zinc/16/72/04/941167204.db2.gz BVIDWPDKIXHCFK-FQEVSTJZSA-N 1 0 421.501 4.035 20 5 HIBDRO COc1ccc(Cn2nc(C)c(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000549408796 941186996 /nfs/dbraw/zinc/18/69/96/941186996.db2.gz SQUNOSUOFLTLJE-UHFFFAOYSA-N 1 0 408.502 4.140 20 5 HIBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000549908294 941235696 /nfs/dbraw/zinc/23/56/96/941235696.db2.gz PGYFGXWTLQQKTC-LJQANCHMSA-N 1 0 409.417 4.233 20 5 HIBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000551563375 941501956 /nfs/dbraw/zinc/50/19/56/941501956.db2.gz GGYFBTVWLQICHN-DJPFJPOOSA-N 1 0 416.543 4.450 20 5 HIBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000551600038 941509802 /nfs/dbraw/zinc/50/98/02/941509802.db2.gz QXRYFKIAHLMIDO-HNNXBMFYSA-N 1 0 421.419 4.350 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552053278 941575116 /nfs/dbraw/zinc/57/51/16/941575116.db2.gz BFDYTRKIIZJKQI-AZUAARDMSA-N 1 0 419.428 4.100 20 5 HIBDRO CC(C)Oc1ccc([C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000552167595 941596051 /nfs/dbraw/zinc/59/60/51/941596051.db2.gz AYYFWVSLANKIFD-NRFANRHFSA-N 1 0 413.518 4.079 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553336019 941869381 /nfs/dbraw/zinc/86/93/81/941869381.db2.gz DJLRSMXTXFTCPS-IBGZPJMESA-N 1 0 406.408 4.111 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)o2)c(Cl)c1 ZINC000553539438 941905008 /nfs/dbraw/zinc/90/50/08/941905008.db2.gz PKOAMRKOMAWUCM-CQSZACIVSA-N 1 0 406.866 4.326 20 5 HIBDRO C[NH+]1CCC(Oc2ccc(CNc3ccc([N+](=O)[O-])cc3OC(F)F)cc2)CC1 ZINC000553592490 941916402 /nfs/dbraw/zinc/91/64/02/941916402.db2.gz LXGHBFFPKOSQFD-UHFFFAOYSA-N 1 0 407.417 4.281 20 5 HIBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000554633964 942180600 /nfs/dbraw/zinc/18/06/00/942180600.db2.gz IFOWTKFANQKZEU-YCRPNKLZSA-N 1 0 403.482 4.134 20 5 HIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934869 942324358 /nfs/dbraw/zinc/32/43/58/942324358.db2.gz KTUZXNWNOZAIMW-LBPRGKRZSA-N 1 0 416.181 4.266 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000555817480 942743495 /nfs/dbraw/zinc/74/34/95/942743495.db2.gz KWIRSZOGAYBTRU-CYBMUJFWSA-N 1 0 412.328 4.050 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)c2ccccc2)c1 ZINC000556218112 942820359 /nfs/dbraw/zinc/82/03/59/942820359.db2.gz QVIBEMKXZMTVCP-DEOSSOPVSA-N 1 0 403.482 4.311 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000556615394 942917477 /nfs/dbraw/zinc/91/74/77/942917477.db2.gz WOTMBYNSFSUPKW-DZGCQCFKSA-N 1 0 407.392 4.006 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556857198 942941115 /nfs/dbraw/zinc/94/11/15/942941115.db2.gz MFNQAFMHMAPIMK-QFIPXVFZSA-N 1 0 407.518 4.048 20 5 HIBDRO Cn1ccnc1[C@@H](NCC[NH+]1CCC2(CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000556887729 942951743 /nfs/dbraw/zinc/95/17/43/942951743.db2.gz DTHPOAKONYWGQF-NRFANRHFSA-N 1 0 411.550 4.054 20 5 HIBDRO Cc1ccc2c(CC[NH2+][C@@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)cn(C)c2c1 ZINC000556893003 942954589 /nfs/dbraw/zinc/95/45/89/942954589.db2.gz SLOMMTWCDMTWRV-JOCHJYFZSA-N 1 0 403.486 4.050 20 5 HIBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000557039056 943001200 /nfs/dbraw/zinc/00/12/00/943001200.db2.gz UQASVWHTPXQKGL-FZKQIMNGSA-N 1 0 407.392 4.006 20 5 HIBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000558086370 943376886 /nfs/dbraw/zinc/37/68/86/943376886.db2.gz SKALTRIKSBQYTE-MBSDFSHPSA-N 1 0 403.482 4.173 20 5 HIBDRO C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000558562123 943599010 /nfs/dbraw/zinc/59/90/10/943599010.db2.gz HRMPZICLMVAUDS-MJGOQNOKSA-N 1 0 413.493 4.256 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000558576482 943605013 /nfs/dbraw/zinc/60/50/13/943605013.db2.gz BNYGFURFHWMZJU-NRFANRHFSA-N 1 0 422.485 4.134 20 5 HIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000559094003 943835743 /nfs/dbraw/zinc/83/57/43/943835743.db2.gz AORHMKCESKJLBF-CYBMUJFWSA-N 1 0 405.380 4.036 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000559939160 944092811 /nfs/dbraw/zinc/09/28/11/944092811.db2.gz KCCMOTMVRJLSKA-UHFFFAOYSA-N 1 0 411.380 4.086 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000561433022 944595722 /nfs/dbraw/zinc/59/57/22/944595722.db2.gz QSXJIDPMMAFOCD-FXAWDEMLSA-N 1 0 408.502 4.219 20 5 HIBDRO CSc1ccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000561652077 944728640 /nfs/dbraw/zinc/72/86/40/944728640.db2.gz WNPABIDJSBRKKR-LJQANCHMSA-N 1 0 417.531 4.137 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000561694675 944750548 /nfs/dbraw/zinc/75/05/48/944750548.db2.gz UICRUHZGLYTLAX-OAHLLOKOSA-N 1 0 421.950 4.141 20 5 HIBDRO C[NH+](C)C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000561757581 944782701 /nfs/dbraw/zinc/78/27/01/944782701.db2.gz LTPAKJAFNARBFH-IBGZPJMESA-N 1 0 400.479 4.250 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCCSC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564248166 945465272 /nfs/dbraw/zinc/46/52/72/945465272.db2.gz VKNGUQLCPWNRPQ-SFHVURJKSA-N 1 0 402.516 4.415 20 5 HIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000564258298 945475900 /nfs/dbraw/zinc/47/59/00/945475900.db2.gz UAYDQOVYTASIMD-DYESRHJHSA-N 1 0 400.475 4.157 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)c2c1 ZINC000564683256 945727534 /nfs/dbraw/zinc/72/75/34/945727534.db2.gz OYSABZRBMOJQDZ-OAQYLSRUSA-N 1 0 401.470 4.472 20 5 HIBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3cccc(F)c3F)CC2)c([N+](=O)[O-])c1 ZINC000564757785 945751057 /nfs/dbraw/zinc/75/10/57/945751057.db2.gz FHYGKXKIHRVSAK-UHFFFAOYSA-N 1 0 419.428 4.090 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000567202896 946270081 /nfs/dbraw/zinc/27/00/81/946270081.db2.gz OIXSRUPHYXSZJX-MRXNPFEDSA-N 1 0 412.202 4.116 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000567548229 946371917 /nfs/dbraw/zinc/37/19/17/946371917.db2.gz XJBMUWIUWKPRFC-UHFFFAOYSA-N 1 0 412.202 4.117 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000568691958 946659620 /nfs/dbraw/zinc/65/96/20/946659620.db2.gz KPEZZXDBUPSDCS-GFCCVEGCSA-N 1 0 424.270 4.484 20 5 HIBDRO C[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000568699585 946666149 /nfs/dbraw/zinc/66/61/49/946666149.db2.gz MTMHGSYGNSWYAJ-FZKQIMNGSA-N 1 0 409.408 4.136 20 5 HIBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000569734511 946962183 /nfs/dbraw/zinc/96/21/83/946962183.db2.gz WYVCCNPOYIBOCK-KPZWWZAWSA-N 1 0 409.280 4.258 20 5 HIBDRO O=C1[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1c1ccccc1Cl ZINC000570592631 947305664 /nfs/dbraw/zinc/30/56/64/947305664.db2.gz CTTVOOYHXHMCJW-GOSISDBHSA-N 1 0 411.845 4.403 20 5 HIBDRO COC[C@@]1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000570889129 947385986 /nfs/dbraw/zinc/38/59/86/947385986.db2.gz KKUNAPJTVZSZFG-LOSJGSFVSA-N 1 0 418.493 4.388 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000571196971 947540869 /nfs/dbraw/zinc/54/08/69/947540869.db2.gz WWHYOSFHIOPDQC-HNNXBMFYSA-N 1 0 417.456 4.106 20 5 HIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]1n1cccn1 ZINC000571422005 947639119 /nfs/dbraw/zinc/63/91/19/947639119.db2.gz NJGBHZCAQFEYHQ-SXLOBPIMSA-N 1 0 416.865 4.213 20 5 HIBDRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000571687070 947747548 /nfs/dbraw/zinc/74/75/48/947747548.db2.gz NFZJWZJFRVTMQY-SNVBAGLBSA-N 1 0 407.243 4.094 20 5 HIBDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000571780994 947778193 /nfs/dbraw/zinc/77/81/93/947778193.db2.gz BXRKMGUMKPCONQ-UHFFFAOYSA-N 1 0 418.247 4.417 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000571962678 947823277 /nfs/dbraw/zinc/82/32/77/947823277.db2.gz HKDCYYUEQMUIRT-GOSISDBHSA-N 1 0 404.898 4.085 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288550 948146870 /nfs/dbraw/zinc/14/68/70/948146870.db2.gz UOHHFPXSMNWBKX-GUYCJALGSA-N 1 0 400.422 4.459 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000574544749 948467856 /nfs/dbraw/zinc/46/78/56/948467856.db2.gz BACVGUIJHJELHM-SIKLNZKXSA-N 1 0 424.545 4.079 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000575977929 948806303 /nfs/dbraw/zinc/80/63/03/948806303.db2.gz YUDZGNXJOOKAMI-QGZVFWFLSA-N 1 0 408.239 4.440 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC001164626137 719103005 /nfs/dbraw/zinc/10/30/05/719103005.db2.gz IGNMGVUPKKSGDD-AUSIDOKSSA-N 1 0 415.497 4.153 20 5 HIBDRO O=[N+]([O-])c1ccc2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2c1 ZINC001164695285 719890784 /nfs/dbraw/zinc/89/07/84/719890784.db2.gz LLVWHPXPWOMHIL-UHFFFAOYSA-N 1 0 424.526 4.076 20 5 HIBDRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc2ccc([N+](=O)[O-])cc12 ZINC001164857932 720940900 /nfs/dbraw/zinc/94/09/00/720940900.db2.gz IGXRYXJPLHMBEJ-INIZCTEOSA-N 1 0 408.506 4.069 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001165026950 721808216 /nfs/dbraw/zinc/80/82/16/721808216.db2.gz SWRJNTPGYWTZCZ-QTGUNEKASA-N 1 0 417.513 4.275 20 5 HIBDRO O=[N+]([O-])c1ccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164951330 722016043 /nfs/dbraw/zinc/01/60/43/722016043.db2.gz AHYDWPIRJZKAOT-UHFFFAOYSA-N 1 0 403.486 4.031 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164995617 722197306 /nfs/dbraw/zinc/19/73/06/722197306.db2.gz WDANPYSJGIJWAM-HXUWFJFHSA-N 1 0 404.873 4.336 20 5 HIBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436099109 861382435 /nfs/dbraw/zinc/38/24/35/861382435.db2.gz LHXMLSYTUSHHNQ-MRXNPFEDSA-N 1 0 409.505 4.062 20 5 HIBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436157896 861457315 /nfs/dbraw/zinc/45/73/15/861457315.db2.gz XLBZGCQYAWXGKX-OAHLLOKOSA-N 1 0 409.505 4.061 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000007946359 845452334 /nfs/dbraw/zinc/45/23/34/845452334.db2.gz IQQJHCQRLGSNNL-MRXNPFEDSA-N 1 0 401.532 4.234 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000010448315 845662775 /nfs/dbraw/zinc/66/27/75/845662775.db2.gz FFQQOCMDYSEMDR-SFHVURJKSA-N 1 0 405.882 4.070 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+]CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000011046615 845748815 /nfs/dbraw/zinc/74/88/15/845748815.db2.gz OXFNSSWWCBISIJ-KRWDZBQOSA-N 1 0 419.481 4.352 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000011652275 845821419 /nfs/dbraw/zinc/82/14/19/845821419.db2.gz SWJWZUSVYFXIJN-QHCPKHFHSA-N 1 0 424.545 4.011 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000436386413 861730282 /nfs/dbraw/zinc/73/02/82/861730282.db2.gz HVSBZMDZMXLAAU-UHFFFAOYSA-N 1 0 410.396 4.095 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026225751 847106000 /nfs/dbraw/zinc/10/60/00/847106000.db2.gz ZJLJZYXXCFNDQE-UHFFFAOYSA-N 1 0 411.380 4.083 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000026226396 847107577 /nfs/dbraw/zinc/10/75/77/847107577.db2.gz QZAUMUZSMROSIJ-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000026909303 847220629 /nfs/dbraw/zinc/22/06/29/847220629.db2.gz JDVXUQLMVYIFIC-UHFFFAOYSA-N 1 0 414.531 4.019 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027209592 847266144 /nfs/dbraw/zinc/26/61/44/847266144.db2.gz PMEOFYRHQLPRQV-IRLDBZIGSA-N 1 0 412.873 4.367 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C[NH+]3CCCCC3)cc2[N+](=O)[O-])n1 ZINC000027743023 847345889 /nfs/dbraw/zinc/34/58/89/847345889.db2.gz JCUDTEHCIQJNDF-ZDUSSCGKSA-N 1 0 420.560 4.115 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000029568084 847581242 /nfs/dbraw/zinc/58/12/42/847581242.db2.gz DMIFRTMSOISSKR-OLZOCXBDSA-N 1 0 406.280 4.344 20 5 HIBDRO CC[NH+]1CCC(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000029606109 847587988 /nfs/dbraw/zinc/58/79/88/847587988.db2.gz ZEJZUNUTVHGPIM-UHFFFAOYSA-N 1 0 416.909 4.074 20 5 HIBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000033089493 848106816 /nfs/dbraw/zinc/10/68/16/848106816.db2.gz CKBWNTLTTCNJMA-UHFFFAOYSA-N 1 0 404.470 4.330 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000042635921 848336344 /nfs/dbraw/zinc/33/63/44/848336344.db2.gz BJYDMGKTEAEHHZ-HOTGVXAUSA-N 1 0 415.490 4.378 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCc1ccccn1)c1ccccc1 ZINC000043305262 848406810 /nfs/dbraw/zinc/40/68/10/848406810.db2.gz NYAAFDPWBDYTAF-FQEVSTJZSA-N 1 0 410.861 4.155 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045182348 848643163 /nfs/dbraw/zinc/64/31/63/848643163.db2.gz RSOYRIJTTAZBTK-UHFFFAOYSA-N 1 0 416.909 4.054 20 5 HIBDRO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])cc1OC ZINC000046156266 848792449 /nfs/dbraw/zinc/79/24/49/848792449.db2.gz ZNRIJLLLBAAPOG-HNNXBMFYSA-N 1 0 413.474 4.096 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047345247 849029560 /nfs/dbraw/zinc/02/95/60/849029560.db2.gz RTULTKFVRAOOES-UHFFFAOYSA-N 1 0 406.845 4.173 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000053112580 849668327 /nfs/dbraw/zinc/66/83/27/849668327.db2.gz QOKQBGDWCHYDSR-UHFFFAOYSA-N 1 0 411.380 4.083 20 5 HIBDRO C[N@H+](CC1CC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000053183742 849676893 /nfs/dbraw/zinc/67/68/93/849676893.db2.gz DZGMORYJFYBYKQ-SFHVURJKSA-N 1 0 418.291 4.379 20 5 HIBDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056161983 850264391 /nfs/dbraw/zinc/26/43/91/850264391.db2.gz NGJNAXDKKVZKJB-HUUCEWRRSA-N 1 0 401.463 4.070 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)Nc2ccc(CC[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000056216089 850287612 /nfs/dbraw/zinc/28/76/12/850287612.db2.gz RTGPPSSERKDTQD-GOSISDBHSA-N 1 0 410.518 4.371 20 5 HIBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000057255002 850591038 /nfs/dbraw/zinc/59/10/38/850591038.db2.gz LZLZENACHMBWKI-ROUUACIJSA-N 1 0 416.566 4.024 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002507 851269925 /nfs/dbraw/zinc/26/99/25/851269925.db2.gz GWJZEWZUNSAJCM-UHFFFAOYSA-N 1 0 422.437 4.201 20 5 HIBDRO CCN1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555169 851403220 /nfs/dbraw/zinc/40/32/20/851403220.db2.gz GNZFIGRVFZNYMX-QFIPXVFZSA-N 1 0 405.502 4.021 20 5 HIBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000062231098 851511923 /nfs/dbraw/zinc/51/19/23/851511923.db2.gz DXNJJOWBJYCVJF-QGZVFWFLSA-N 1 0 409.511 4.452 20 5 HIBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000063548327 851711986 /nfs/dbraw/zinc/71/19/86/851711986.db2.gz QQCZRGVKUSAKNI-INIZCTEOSA-N 1 0 412.408 4.267 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064420611 851894057 /nfs/dbraw/zinc/89/40/57/851894057.db2.gz SIQCRQLMZVUJMG-OAHLLOKOSA-N 1 0 419.909 4.172 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000068711886 852367896 /nfs/dbraw/zinc/36/78/96/852367896.db2.gz WZXWVSQWXRXBBV-QGZVFWFLSA-N 1 0 416.909 4.074 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000071981157 852453702 /nfs/dbraw/zinc/45/37/02/852453702.db2.gz BNESJAFGYJVJCF-LJQANCHMSA-N 1 0 417.893 4.214 20 5 HIBDRO O=C(NC1CC1)c1ccc(NCc2ccccc2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000105434982 852705319 /nfs/dbraw/zinc/70/53/19/852705319.db2.gz BWHDELAXKSVCRB-UHFFFAOYSA-N 1 0 408.502 4.085 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109305973 852949636 /nfs/dbraw/zinc/94/96/36/852949636.db2.gz VUDMXOBTTRFDKP-PKOBYXMFSA-N 1 0 413.543 4.104 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110199359 853071873 /nfs/dbraw/zinc/07/18/73/853071873.db2.gz KPMAJZUZATYSLU-UHFFFAOYSA-N 1 0 421.847 4.206 20 5 HIBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000110910902 853167267 /nfs/dbraw/zinc/16/72/67/853167267.db2.gz PRRDEQYZSPVKIN-UHFFFAOYSA-N 1 0 416.909 4.028 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000111051756 853194774 /nfs/dbraw/zinc/19/47/74/853194774.db2.gz INSSFOAMBYWRFR-QFIPXVFZSA-N 1 0 410.518 4.045 20 5 HIBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000111137230 853208050 /nfs/dbraw/zinc/20/80/50/853208050.db2.gz FWWANAXRLWKDSO-KRWDZBQOSA-N 1 0 416.909 4.027 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000112648261 853236909 /nfs/dbraw/zinc/23/69/09/853236909.db2.gz JBQOAFNDGIGPHA-ROUUACIJSA-N 1 0 413.522 4.150 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437243156 862458319 /nfs/dbraw/zinc/45/83/19/862458319.db2.gz ACIJLUZYRLSUEL-HNNXBMFYSA-N 1 0 421.419 4.350 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140149379 853435470 /nfs/dbraw/zinc/43/54/70/853435470.db2.gz VCTLPWFBEALWCN-JKSUJKDBSA-N 1 0 419.572 4.165 20 5 HIBDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000150247896 853641430 /nfs/dbraw/zinc/64/14/30/853641430.db2.gz VDFDEFZGIDFYQF-HXUWFJFHSA-N 1 0 413.474 4.086 20 5 HIBDRO COC(=O)/C=C\c1ccc(Nc2cccc(C[NH+]3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000209806225 853811820 /nfs/dbraw/zinc/81/18/20/853811820.db2.gz BVZXJAVVGGBHJG-VURMDHGXSA-N 1 0 413.499 4.073 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000216264553 853848684 /nfs/dbraw/zinc/84/86/84/853848684.db2.gz RSKREYYZJWZMRR-CVEARBPZSA-N 1 0 405.520 4.037 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000226678972 853882057 /nfs/dbraw/zinc/88/20/57/853882057.db2.gz JBQOAFNDGIGPHA-MSOLQXFVSA-N 1 0 413.522 4.150 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC[N@@H+]4CCCC[C@@H]34)o2)c(Br)c1 ZINC000236569610 853899589 /nfs/dbraw/zinc/89/95/89/853899589.db2.gz NIEDXKVNRWPGMS-ROUUACIJSA-N 1 0 420.307 4.334 20 5 HIBDRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000236687658 853911258 /nfs/dbraw/zinc/91/12/58/853911258.db2.gz WNXULKADQTVKLJ-JKSUJKDBSA-N 1 0 401.532 4.496 20 5 HIBDRO CCC[NH+]1CCC(NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000236794413 853923195 /nfs/dbraw/zinc/92/31/95/853923195.db2.gz KEGLDBMOVPXWSP-UHFFFAOYSA-N 1 0 413.518 4.146 20 5 HIBDRO CC[N@@H+]1CCC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236931220 853939589 /nfs/dbraw/zinc/93/95/89/853939589.db2.gz IVTLRSGNTDNUEL-AWEZNQCLSA-N 1 0 422.323 4.439 20 5 HIBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236976099 853945471 /nfs/dbraw/zinc/94/54/71/853945471.db2.gz RJXPYOFIDOXWLO-LBPRGKRZSA-N 1 0 424.295 4.012 20 5 HIBDRO CN(C)[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 ZINC000237178289 853976264 /nfs/dbraw/zinc/97/62/64/853976264.db2.gz KQBSWQUCZMMUKG-IBGZPJMESA-N 1 0 400.479 4.250 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237188121 853978754 /nfs/dbraw/zinc/97/87/54/853978754.db2.gz HDNJNCJWARGFFL-DHIUTWEWSA-N 1 0 414.502 4.213 20 5 HIBDRO COc1cc(C[NH2+]CCc2cccc(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237201373 853981166 /nfs/dbraw/zinc/98/11/66/853981166.db2.gz FSBCVXNZONPSOZ-UHFFFAOYSA-N 1 0 402.344 4.016 20 5 HIBDRO COc1cc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237253602 853992266 /nfs/dbraw/zinc/99/22/66/853992266.db2.gz JCWSRIWRLXLONR-XZOQPEGZSA-N 1 0 414.502 4.213 20 5 HIBDRO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000237355956 854012435 /nfs/dbraw/zinc/01/24/35/854012435.db2.gz HYKZJLNLKBAMQP-UHFFFAOYSA-N 1 0 416.524 4.158 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](c3ccco3)N3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237416714 854027662 /nfs/dbraw/zinc/02/76/62/854027662.db2.gz GSWWECOYLCBFBK-FQEVSTJZSA-N 1 0 411.458 4.383 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3nc4c(cccc4F)n3C)o2)c([N+](=O)[O-])c1 ZINC000237416188 854027891 /nfs/dbraw/zinc/02/78/91/854027891.db2.gz HTMYDDHLFXLQIL-UHFFFAOYSA-N 1 0 424.432 4.222 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(NC(C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000237427746 854030448 /nfs/dbraw/zinc/03/04/48/854030448.db2.gz DFJOPRBMKPESFL-UHFFFAOYSA-N 1 0 409.442 4.154 20 5 HIBDRO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2ccccc2C1 ZINC000237432086 854032670 /nfs/dbraw/zinc/03/26/70/854032670.db2.gz SHSDKORPJOTAEY-INIZCTEOSA-N 1 0 408.527 4.255 20 5 HIBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CN1C1CC1 ZINC000237696907 854077749 /nfs/dbraw/zinc/07/77/49/854077749.db2.gz OSVJLQDEMWFHJC-QWHCGFSZSA-N 1 0 420.307 4.332 20 5 HIBDRO C[C@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@@H+]1Cc1ccccc1 ZINC000237719720 854082998 /nfs/dbraw/zinc/08/29/98/854082998.db2.gz TXZMYTNWWQTPTO-LPHOPBHVSA-N 1 0 408.527 4.471 20 5 HIBDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237788042 854097154 /nfs/dbraw/zinc/09/71/54/854097154.db2.gz BVIKEXVQNXUGOK-GQCTYLIASA-N 1 0 418.291 4.297 20 5 HIBDRO NC(=O)Nc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 ZINC000237902387 854116756 /nfs/dbraw/zinc/11/67/56/854116756.db2.gz ACJQOUSDLQIUBI-UHFFFAOYSA-N 1 0 410.405 4.307 20 5 HIBDRO Cn1cc(C[NH2+]CC2(O)CCC(C(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237906289 854117747 /nfs/dbraw/zinc/11/77/47/854117747.db2.gz ONODIQQZTLZOEJ-UHFFFAOYSA-N 1 0 400.523 4.052 20 5 HIBDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000237914350 854118921 /nfs/dbraw/zinc/11/89/21/854118921.db2.gz DCOAMSCWTCKXCK-UHFFFAOYSA-N 1 0 422.510 4.113 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(Br)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931543 854120930 /nfs/dbraw/zinc/12/09/30/854120930.db2.gz LUGRVNDLLITRCS-UHFFFAOYSA-N 1 0 407.293 4.109 20 5 HIBDRO O=C(CCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)NC1CC1 ZINC000237929567 854120968 /nfs/dbraw/zinc/12/09/68/854120968.db2.gz SAWLBRODAWNVAA-UHFFFAOYSA-N 1 0 403.866 4.189 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CCOC[C@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000237929954 854121021 /nfs/dbraw/zinc/12/10/21/854121021.db2.gz LFNHTSPHUUKGBU-MRXNPFEDSA-N 1 0 406.866 4.326 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)s1 ZINC000237954652 854124365 /nfs/dbraw/zinc/12/43/65/854124365.db2.gz YUGKCHKCJGFZDG-UHFFFAOYSA-N 1 0 416.524 4.277 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](CO)CC3)o2)c(Br)c1 ZINC000237966340 854126766 /nfs/dbraw/zinc/12/67/66/854126766.db2.gz SPBOUZVTTVLZCO-JOCQHMNTSA-N 1 0 409.280 4.258 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CC[N@H+](CCc4ccccc4)C3)cs2)c1 ZINC000238007996 854133038 /nfs/dbraw/zinc/13/30/38/854133038.db2.gz SZTRAMDKJGSDHU-LJQANCHMSA-N 1 0 422.554 4.373 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[C@@H](O)C3)o2)c(Br)c1 ZINC000238094623 854142595 /nfs/dbraw/zinc/14/25/95/854142595.db2.gz ORQXRHGGOQPQGU-TZMCWYRMSA-N 1 0 409.280 4.258 20 5 HIBDRO Cc1cc(N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)ncc1[N+](=O)[O-] ZINC000301439406 854395000 /nfs/dbraw/zinc/39/50/00/854395000.db2.gz NYELCZNIIRAACC-UHFFFAOYSA-N 1 0 408.424 4.418 20 5 HIBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000301750187 854458819 /nfs/dbraw/zinc/45/88/19/854458819.db2.gz PUALQHDBKALSQE-UHFFFAOYSA-N 1 0 410.499 4.204 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000301760450 854461637 /nfs/dbraw/zinc/46/16/37/854461637.db2.gz MADQZWVIDQOOBQ-UHFFFAOYSA-N 1 0 409.408 4.182 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1OCc1ccccc1 ZINC000302169191 854541821 /nfs/dbraw/zinc/54/18/21/854541821.db2.gz LCPJWMPUNLRIFM-AZUAARDMSA-N 1 0 408.502 4.022 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)C2)nc1 ZINC000302201211 854548746 /nfs/dbraw/zinc/54/87/46/854548746.db2.gz VFEHSEBDCUROAR-MRXNPFEDSA-N 1 0 405.458 4.010 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)C2)nc1 ZINC000302201210 854549105 /nfs/dbraw/zinc/54/91/05/854549105.db2.gz VFEHSEBDCUROAR-INIZCTEOSA-N 1 0 405.458 4.010 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c(Cl)c1 ZINC000302275793 854558915 /nfs/dbraw/zinc/55/89/15/854558915.db2.gz INUMXZLMOVVREQ-VIFPVBQESA-N 1 0 414.318 4.446 20 5 HIBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C2)nc1 ZINC000302768687 854628107 /nfs/dbraw/zinc/62/81/07/854628107.db2.gz BHQNCABSHSDWDR-ZDUSSCGKSA-N 1 0 403.364 4.248 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000302935220 854686531 /nfs/dbraw/zinc/68/65/31/854686531.db2.gz FXLOGOTXBMGESJ-KRWDZBQOSA-N 1 0 405.564 4.190 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000303273528 854845149 /nfs/dbraw/zinc/84/51/49/854845149.db2.gz RWCDZZRANBGVNG-QGZVFWFLSA-N 1 0 406.429 4.058 20 5 HIBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000303415137 854917253 /nfs/dbraw/zinc/91/72/53/854917253.db2.gz BADNQVIHCOCQRA-SEJPIABJSA-N 1 0 420.513 4.095 20 5 HIBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000303667548 855119823 /nfs/dbraw/zinc/11/98/23/855119823.db2.gz ZUHLJWQECQGSSE-UHFFFAOYSA-N 1 0 408.502 4.286 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303737919 855163101 /nfs/dbraw/zinc/16/31/01/855163101.db2.gz HILGPDNOZIEOMK-MAUKXSAKSA-N 1 0 401.894 4.373 20 5 HIBDRO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000303963335 855324604 /nfs/dbraw/zinc/32/46/04/855324604.db2.gz XKCXUPGWJMVVIJ-MRXNPFEDSA-N 1 0 403.866 4.207 20 5 HIBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311045077 855369327 /nfs/dbraw/zinc/36/93/27/855369327.db2.gz FSKSSNVCJRDVCD-ZFWWWQNUSA-N 1 0 405.296 4.075 20 5 HIBDRO COc1cc(C[NH2+]CCc2nc3c(cccc3C)o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000410360315 855949561 /nfs/dbraw/zinc/94/95/61/855949561.db2.gz QVDQJEHMCUZQAB-UHFFFAOYSA-N 1 0 421.400 4.029 20 5 HIBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCc1ccccc1 ZINC000425957464 856017108 /nfs/dbraw/zinc/01/71/08/856017108.db2.gz IOMBEFKPFCVYKL-UHFFFAOYSA-N 1 0 422.485 4.216 20 5 HIBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426224794 856187862 /nfs/dbraw/zinc/18/78/62/856187862.db2.gz HNTKOMUYOJHFSZ-HXUWFJFHSA-N 1 0 412.490 4.089 20 5 HIBDRO C[N@H+]([C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000426229714 856190049 /nfs/dbraw/zinc/19/00/49/856190049.db2.gz ZZQKZMFBPBXBLH-AQNXPRMDSA-N 1 0 417.893 4.163 20 5 HIBDRO CC[NH+]1CCC(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000426785507 856476325 /nfs/dbraw/zinc/47/63/25/856476325.db2.gz XUGMUQJUGPUBRQ-UHFFFAOYSA-N 1 0 411.502 4.026 20 5 HIBDRO C[C@H](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000427472727 856835889 /nfs/dbraw/zinc/83/58/89/856835889.db2.gz RXYXTJNCVKYNME-GOSISDBHSA-N 1 0 411.502 4.168 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@]3(CO)C[C@@H]3c3ccc(F)cc3)cs2)c1 ZINC000428538279 857250684 /nfs/dbraw/zinc/25/06/84/857250684.db2.gz PSNXFXHPXPUMRB-CTNGQTDRSA-N 1 0 413.474 4.113 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000429422726 857658843 /nfs/dbraw/zinc/65/88/43/857658843.db2.gz ZZKCFKCWAZHMNE-ZBFHGGJFSA-N 1 0 407.308 4.168 20 5 HIBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCCCC2 ZINC000429782823 857884192 /nfs/dbraw/zinc/88/41/92/857884192.db2.gz GRHWQUPBGKDTAO-ZTFGCOKTSA-N 1 0 400.479 4.423 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437693571 863030757 /nfs/dbraw/zinc/03/07/57/863030757.db2.gz OJVATTUVTRRUBJ-UHFFFAOYSA-N 1 0 408.502 4.065 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437702390 863036211 /nfs/dbraw/zinc/03/62/11/863036211.db2.gz ZXPJGZOHCVKBFF-QFIPXVFZSA-N 1 0 408.502 4.106 20 5 HIBDRO CCc1ccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[NH+](C)C)cc1 ZINC000437703702 863037479 /nfs/dbraw/zinc/03/74/79/863037479.db2.gz QGGVRKVQZSMREO-JOCHJYFZSA-N 1 0 410.518 4.134 20 5 HIBDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000432799455 859366356 /nfs/dbraw/zinc/36/63/56/859366356.db2.gz XRDKJSUCZLUQQC-HXUWFJFHSA-N 1 0 413.518 4.099 20 5 HIBDRO COC1CCN(C2(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CCCC2)CC1 ZINC000433112749 859525815 /nfs/dbraw/zinc/52/58/15/859525815.db2.gz AIYKBTRYINWBJF-NRFANRHFSA-N 1 0 401.551 4.330 20 5 HIBDRO COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)n1 ZINC000433148457 859541850 /nfs/dbraw/zinc/54/18/50/859541850.db2.gz RAWYMIYROSDVIA-UHFFFAOYSA-N 1 0 424.457 4.042 20 5 HIBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)C[C@H](C)O1 ZINC000433178403 859556767 /nfs/dbraw/zinc/55/67/67/859556767.db2.gz RVXPBYOABNBYQJ-MRUHUIDDSA-N 1 0 410.518 4.116 20 5 HIBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)C[C@@H](C)O1 ZINC000433178409 859556784 /nfs/dbraw/zinc/55/67/84/859556784.db2.gz RVXPBYOABNBYQJ-ZOCZFRKYSA-N 1 0 410.518 4.116 20 5 HIBDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000433187482 859559190 /nfs/dbraw/zinc/55/91/90/859559190.db2.gz JUIKWMUVLLZJID-UHFFFAOYSA-N 1 0 405.458 4.006 20 5 HIBDRO CC1(C)C[C@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433288407 859619009 /nfs/dbraw/zinc/61/90/09/859619009.db2.gz NQAIBKJKRSKUBH-NRFANRHFSA-N 1 0 414.550 4.414 20 5 HIBDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433297985 859623914 /nfs/dbraw/zinc/62/39/14/859623914.db2.gz MYRDXSXJWIVCGO-MGPUTAFESA-N 1 0 402.516 4.159 20 5 HIBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000434332185 860294538 /nfs/dbraw/zinc/29/45/38/860294538.db2.gz HDZWITHAISHAQZ-HXUWFJFHSA-N 1 0 419.485 4.107 20 5 HIBDRO C[NH+](C)CCCCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467724982 881525027 /nfs/dbraw/zinc/52/50/27/881525027.db2.gz KLEVTTBRHCTVFP-UHFFFAOYSA-N 1 0 407.923 4.471 20 5 HIBDRO C[N@H+](CCCCCO)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000434688322 860461830 /nfs/dbraw/zinc/46/18/30/860461830.db2.gz KZJXSZLTSXOQJN-LJQANCHMSA-N 1 0 405.882 4.022 20 5 HIBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000434988453 860587411 /nfs/dbraw/zinc/58/74/11/860587411.db2.gz SHINTVCGXGSIFW-KRWDZBQOSA-N 1 0 417.893 4.389 20 5 HIBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435283455 860717959 /nfs/dbraw/zinc/71/79/59/860717959.db2.gz XXLUAZBSZAAQOR-HXUWFJFHSA-N 1 0 419.485 4.107 20 5 HIBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000435541414 860856072 /nfs/dbraw/zinc/85/60/72/860856072.db2.gz YFAZWRDVCUAFKC-KRWDZBQOSA-N 1 0 420.513 4.193 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998589 863360821 /nfs/dbraw/zinc/36/08/21/863360821.db2.gz JBSKRVGPGWMUQX-FXAWDEMLSA-N 1 0 408.502 4.104 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000438909362 864388566 /nfs/dbraw/zinc/38/85/66/864388566.db2.gz CSFMLJPBCNJBBE-VSKRKVRLSA-N 1 0 404.470 4.105 20 5 HIBDRO Cc1cc(N2CCC([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)n[nH]1 ZINC000438915675 864394905 /nfs/dbraw/zinc/39/49/05/864394905.db2.gz ZMXULBYTISAGBK-UHFFFAOYSA-N 1 0 415.881 4.298 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000439645115 864971053 /nfs/dbraw/zinc/97/10/53/864971053.db2.gz UJJDEWBVWJINTO-GFCCVEGCSA-N 1 0 423.872 4.290 20 5 HIBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000439751086 865080646 /nfs/dbraw/zinc/08/06/46/865080646.db2.gz WIEHEJQVGXXCFV-CQSZACIVSA-N 1 0 410.499 4.160 20 5 HIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817284 865135169 /nfs/dbraw/zinc/13/51/69/865135169.db2.gz AWYXEQCLVFGZNZ-HZPDHXFCSA-N 1 0 400.454 4.329 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468037003 881867698 /nfs/dbraw/zinc/86/76/98/881867698.db2.gz LJGXYHJBWVTHIQ-LLVKDONJSA-N 1 0 412.273 4.417 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440520964 865803911 /nfs/dbraw/zinc/80/39/11/865803911.db2.gz AKWFIFZMOIEYBF-KRWDZBQOSA-N 1 0 401.894 4.232 20 5 HIBDRO CCCCNC(=O)C1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCCC1 ZINC000440881118 865976799 /nfs/dbraw/zinc/97/67/99/865976799.db2.gz ATDJOWHBGDREBA-UHFFFAOYSA-N 1 0 414.506 4.001 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295575 866370070 /nfs/dbraw/zinc/37/00/70/866370070.db2.gz KQKJDMRWQXMKIQ-QTEQDKRBSA-N 1 0 423.513 4.332 20 5 HIBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000442768874 867669045 /nfs/dbraw/zinc/66/90/45/867669045.db2.gz OYSQTBYPKIMWGH-UHFFFAOYSA-N 1 0 421.419 4.114 20 5 HIBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000442981901 867775526 /nfs/dbraw/zinc/77/55/26/867775526.db2.gz WIGYHTFVRPQKSB-UHFFFAOYSA-N 1 0 417.553 4.457 20 5 HIBDRO CO[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000443076552 867813104 /nfs/dbraw/zinc/81/31/04/867813104.db2.gz YAWXNHFZUVZTJH-VGOFRKELSA-N 1 0 406.486 4.447 20 5 HIBDRO CN(CC[NH+](C)C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000443209560 867876438 /nfs/dbraw/zinc/87/64/38/867876438.db2.gz FXDSTNHHERKZSF-SAPNQHFASA-N 1 0 424.526 4.155 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443223146 867880218 /nfs/dbraw/zinc/88/02/18/867880218.db2.gz MBMDKCCRSFDCQH-GHMZBOCLSA-N 1 0 412.309 4.487 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000443414876 867999811 /nfs/dbraw/zinc/99/98/11/867999811.db2.gz PPVJJPYRXWCFCS-KRWDZBQOSA-N 1 0 424.419 4.060 20 5 HIBDRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250670 882155599 /nfs/dbraw/zinc/15/55/99/882155599.db2.gz LPSPEKKGMCYRNP-CVEARBPZSA-N 1 0 404.536 4.028 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444032411 868565040 /nfs/dbraw/zinc/56/50/40/868565040.db2.gz KOOVGUUTMPAZNU-MOPGFXCFSA-N 1 0 417.553 4.408 20 5 HIBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc21 ZINC000444097835 868615917 /nfs/dbraw/zinc/61/59/17/868615917.db2.gz VRZLKXPSHWSBLM-UHFFFAOYSA-N 1 0 424.504 4.450 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000444175542 868650155 /nfs/dbraw/zinc/65/01/55/868650155.db2.gz KRIGBKZGVAEEIO-IFXJQAMLSA-N 1 0 401.438 4.154 20 5 HIBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282951 868712158 /nfs/dbraw/zinc/71/21/58/868712158.db2.gz BIRYVJVNEOPUOT-INIZCTEOSA-N 1 0 417.484 4.071 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000444674998 868952742 /nfs/dbraw/zinc/95/27/42/868952742.db2.gz LLPFAICRUZUBJV-CYBMUJFWSA-N 1 0 417.416 4.327 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccccc1 ZINC000444827721 869036092 /nfs/dbraw/zinc/03/60/92/869036092.db2.gz LELDIIWYJQFHKG-HSZRJFAPSA-N 1 0 413.521 4.494 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[N@@H+]1Cc1ccccc1 ZINC000444990851 869148078 /nfs/dbraw/zinc/14/80/78/869148078.db2.gz JQJBOVLBLYISRC-IEBWSBKVSA-N 1 0 411.505 4.074 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445172310 869258162 /nfs/dbraw/zinc/25/81/62/869258162.db2.gz KCEBHXOAYBUIEL-KURKYZTESA-N 1 0 403.526 4.159 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445489633 869559468 /nfs/dbraw/zinc/55/94/68/869559468.db2.gz FAQLTMZHMJUQHG-GOSISDBHSA-N 1 0 422.529 4.237 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000445645269 869715931 /nfs/dbraw/zinc/71/59/31/869715931.db2.gz OBMDXXZLDJZVAF-LJQANCHMSA-N 1 0 401.532 4.178 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000446002337 869965660 /nfs/dbraw/zinc/96/56/60/869965660.db2.gz MDYBTIKSTZHWKR-KYJSFNMBSA-N 1 0 424.419 4.279 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000446499580 870418032 /nfs/dbraw/zinc/41/80/32/870418032.db2.gz QYPKJAMNWCGIGN-QHCPKHFHSA-N 1 0 408.502 4.423 20 5 HIBDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000447077167 870963200 /nfs/dbraw/zinc/96/32/00/870963200.db2.gz POMFATPQXAGXCV-CQSZACIVSA-N 1 0 415.881 4.000 20 5 HIBDRO CCOc1c(Cl)cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447537738 871403933 /nfs/dbraw/zinc/40/39/33/871403933.db2.gz YGTKEZAMYVUIKA-JKSUJKDBSA-N 1 0 408.886 4.126 20 5 HIBDRO C[C@@H]([NH2+]C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1)c1ccccc1 ZINC000447545204 871410609 /nfs/dbraw/zinc/41/06/09/871410609.db2.gz WOZFVVXQCHYNSB-JPYJTQIMSA-N 1 0 409.530 4.462 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447560062 871451059 /nfs/dbraw/zinc/45/10/59/871451059.db2.gz CFRKCMCONTUCSL-KRWDZBQOSA-N 1 0 403.866 4.253 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000447570035 871469047 /nfs/dbraw/zinc/46/90/47/871469047.db2.gz RHCCBINECHPDIY-HOTGVXAUSA-N 1 0 411.531 4.376 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cc3cc(Br)ccc3[nH]2)n1 ZINC000447600090 871507908 /nfs/dbraw/zinc/50/79/08/871507908.db2.gz LRXAKUJLQYNLGX-DLBZAZTESA-N 1 0 418.295 4.309 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000447721799 871666367 /nfs/dbraw/zinc/66/63/67/871666367.db2.gz HDSJZMJYNPZXEF-FZKQIMNGSA-N 1 0 401.488 4.099 20 5 HIBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cccc21 ZINC000447730675 871678888 /nfs/dbraw/zinc/67/88/88/871678888.db2.gz QQKHZCQROGDMCL-OAQYLSRUSA-N 1 0 413.477 4.319 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448257436 872181592 /nfs/dbraw/zinc/18/15/92/872181592.db2.gz VCCVBYJMUWRTLK-YOEHRIQHSA-N 1 0 421.419 4.254 20 5 HIBDRO CO[C@@](C)(C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000461063297 873942541 /nfs/dbraw/zinc/94/25/41/873942541.db2.gz VTEOWINVOUUUGE-FPOVZHCZSA-N 1 0 417.893 4.333 20 5 HIBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000461433611 874481723 /nfs/dbraw/zinc/48/17/23/874481723.db2.gz WUXUEEVLAGTEAK-SFTDATJTSA-N 1 0 407.514 4.312 20 5 HIBDRO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461470880 874527136 /nfs/dbraw/zinc/52/71/36/874527136.db2.gz JJYXYSBHXMWKRL-IBGZPJMESA-N 1 0 413.543 4.105 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468747948 882841336 /nfs/dbraw/zinc/84/13/36/882841336.db2.gz GQFHNTNPCSVUEN-GXDHUFHOSA-N 1 0 403.866 4.279 20 5 HIBDRO Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461950102 875081406 /nfs/dbraw/zinc/08/14/06/875081406.db2.gz SFLWXJPQAHLUDU-WMZOPIPTSA-N 1 0 401.429 4.102 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C[C@H](C)O1 ZINC000462086217 875195007 /nfs/dbraw/zinc/19/50/07/875195007.db2.gz DZDXSASFPDZBBV-GJZGRUSLSA-N 1 0 421.444 4.418 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462545948 875669433 /nfs/dbraw/zinc/66/94/33/875669433.db2.gz CZGOAYJADSQTRG-SIKLNZKXSA-N 1 0 412.486 4.230 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000462619828 875731376 /nfs/dbraw/zinc/73/13/76/875731376.db2.gz NZEZLNIFTSHMAD-OPYAIIAOSA-N 1 0 415.559 4.424 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462631434 875742849 /nfs/dbraw/zinc/74/28/49/875742849.db2.gz NKIFBDNUVPBJGS-VXKWHMMOSA-N 1 0 409.530 4.144 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000462746347 875814162 /nfs/dbraw/zinc/81/41/62/875814162.db2.gz QKMQJVGIYWUNON-BWAGFHJFSA-N 1 0 417.465 4.101 20 5 HIBDRO Cn1nc2c(c1C[NH2+]Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CCCC2 ZINC000462874021 875903652 /nfs/dbraw/zinc/90/36/52/875903652.db2.gz ACIGBUVJKLUECA-UHFFFAOYSA-N 1 0 410.449 4.428 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2c3c(nn2C)CCCC3)cc1[N+](=O)[O-] ZINC000462876971 875905665 /nfs/dbraw/zinc/90/56/65/875905665.db2.gz YVFVRNRXZDUOJH-UHFFFAOYSA-N 1 0 405.502 4.265 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000462991202 876005583 /nfs/dbraw/zinc/00/55/83/876005583.db2.gz UISSVTHXYGFKEW-SIKLNZKXSA-N 1 0 409.530 4.287 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000463060681 876089662 /nfs/dbraw/zinc/08/96/62/876089662.db2.gz AJONMGBFYASQER-WMZOPIPTSA-N 1 0 422.428 4.257 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000463349774 876403176 /nfs/dbraw/zinc/40/31/76/876403176.db2.gz NJEXIZPJGUUSAH-GOSISDBHSA-N 1 0 409.408 4.427 20 5 HIBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463434802 876491889 /nfs/dbraw/zinc/49/18/89/876491889.db2.gz PSRPJKBSFANRGC-OAHLLOKOSA-N 1 0 413.421 4.242 20 5 HIBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000463816338 876931164 /nfs/dbraw/zinc/93/11/64/876931164.db2.gz IHESWXXJNLIHFT-UHFFFAOYSA-N 1 0 421.419 4.350 20 5 HIBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000464568336 877787193 /nfs/dbraw/zinc/78/71/93/877787193.db2.gz IKDNEVFZQGRGDV-IBGZPJMESA-N 1 0 410.518 4.011 20 5 HIBDRO COc1cccc(C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C2CCC(O)CC2)c1 ZINC000464676716 877894303 /nfs/dbraw/zinc/89/43/03/877894303.db2.gz JADKWUGNSNVGEZ-UHFFFAOYSA-N 1 0 418.465 4.057 20 5 HIBDRO O=C(c1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1)N1CCCCC1 ZINC000464783386 878030714 /nfs/dbraw/zinc/03/07/14/878030714.db2.gz KCTVUIVSWICFLL-UHFFFAOYSA-N 1 0 423.513 4.264 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000465184279 878574295 /nfs/dbraw/zinc/57/42/95/878574295.db2.gz KFXZPHPBNQECQA-CQSZACIVSA-N 1 0 403.866 4.221 20 5 HIBDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000465634918 879148498 /nfs/dbraw/zinc/14/84/98/879148498.db2.gz NPCRYNKJUJTTIU-URLQWDBASA-N 1 0 402.520 4.100 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000465640178 879154738 /nfs/dbraw/zinc/15/47/38/879154738.db2.gz QQODVLLBQCJBOT-QUCCMNQESA-N 1 0 410.518 4.209 20 5 HIBDRO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000503526614 912577690 /nfs/dbraw/zinc/57/76/90/912577690.db2.gz GZAZIYQOQHUKFE-UGSOOPFHSA-N 1 0 424.423 4.104 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 ZINC000466832156 880601213 /nfs/dbraw/zinc/60/12/13/880601213.db2.gz BTMMXMNSFYSNTG-KRWDZBQOSA-N 1 0 419.934 4.469 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000467001595 880810240 /nfs/dbraw/zinc/81/02/40/880810240.db2.gz IPGMVNFHXGQQQP-CJNGLKHVSA-N 1 0 407.392 4.065 20 5 HIBDRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467104795 880865079 /nfs/dbraw/zinc/86/50/79/880865079.db2.gz UQOYZNDHMFKAKG-UHFFFAOYSA-N 1 0 413.493 4.199 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370010 881143384 /nfs/dbraw/zinc/14/33/84/881143384.db2.gz NOPPZHPCECDJDQ-AOMKIAJQSA-N 1 0 400.475 4.039 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377788 881151910 /nfs/dbraw/zinc/15/19/10/881151910.db2.gz PLLZMUOHVNHGFH-KSFYIVLOSA-N 1 0 400.475 4.039 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000469283639 883380706 /nfs/dbraw/zinc/38/07/06/883380706.db2.gz YDDYRMUDJGMXMG-AUUYWEPGSA-N 1 0 403.429 4.023 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000469942990 884139200 /nfs/dbraw/zinc/13/92/00/884139200.db2.gz DSIVPSYETYZKAB-UHFFFAOYSA-N 1 0 403.504 4.419 20 5 HIBDRO C[C@H]([NH2+]C1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000503707063 912804173 /nfs/dbraw/zinc/80/41/73/912804173.db2.gz GYIFBAKUPAONFB-SFHVURJKSA-N 1 0 410.518 4.400 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470117068 884377896 /nfs/dbraw/zinc/37/78/96/884377896.db2.gz JFQJZJGASSSAQK-QGZVFWFLSA-N 1 0 400.454 4.110 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000470136362 884399437 /nfs/dbraw/zinc/39/94/37/884399437.db2.gz GHVYQNYZHKSVNH-KXBFYZLASA-N 1 0 400.454 4.251 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000470136361 884399801 /nfs/dbraw/zinc/39/98/01/884399801.db2.gz GHVYQNYZHKSVNH-HNAYVOBHSA-N 1 0 400.454 4.251 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000470173218 884454160 /nfs/dbraw/zinc/45/41/60/884454160.db2.gz JXOSEWCTOGOKHL-WJDWOHSUSA-N 1 0 423.469 4.078 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000470178174 884461497 /nfs/dbraw/zinc/46/14/97/884461497.db2.gz IQDNZUHPKJHXTI-LGMDPLHJSA-N 1 0 411.477 4.166 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000470178572 884461584 /nfs/dbraw/zinc/46/15/84/884461584.db2.gz LAQKUEHXCBUAMD-NTEUORMPSA-N 1 0 405.296 4.294 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503899023 912856926 /nfs/dbraw/zinc/85/69/26/912856926.db2.gz CHXYNSVIJJKQAE-VQIMIIECSA-N 1 0 400.475 4.087 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000471077486 885601909 /nfs/dbraw/zinc/60/19/09/885601909.db2.gz RYAJZPICCHAYDI-HSZRJFAPSA-N 1 0 420.469 4.015 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471291403 885877037 /nfs/dbraw/zinc/87/70/37/885877037.db2.gz HSNKHPAVFNJUSL-SFHVURJKSA-N 1 0 413.543 4.347 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000471456112 886132049 /nfs/dbraw/zinc/13/20/49/886132049.db2.gz XIMWHGFRFFZXQZ-DLBZAZTESA-N 1 0 401.532 4.102 20 5 HIBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000471564362 886273242 /nfs/dbraw/zinc/27/32/42/886273242.db2.gz SRBPQSHOFGQJQJ-OGWOLHLISA-N 1 0 403.866 4.085 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472290444 887110447 /nfs/dbraw/zinc/11/04/47/887110447.db2.gz BXXUBBFEPIMSRR-OAQYLSRUSA-N 1 0 410.518 4.037 20 5 HIBDRO Cc1c(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000473438479 888158394 /nfs/dbraw/zinc/15/83/94/888158394.db2.gz OZCKLZHLEAEFJC-QHCPKHFHSA-N 1 0 408.502 4.423 20 5 HIBDRO CC(C)(C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000473506106 888233672 /nfs/dbraw/zinc/23/36/72/888233672.db2.gz KDLBMJAXZSLLBU-RUZDIDTESA-N 1 0 421.541 4.387 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474222815 889061454 /nfs/dbraw/zinc/06/14/54/889061454.db2.gz HWZLUPXLZXHWNG-UHFFFAOYSA-N 1 0 411.502 4.039 20 5 HIBDRO Cc1c(NC(=O)CC[N@H+](Cc2ccccc2)CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000474238028 889084023 /nfs/dbraw/zinc/08/40/23/889084023.db2.gz ZYWGHLQLHWTGDC-UHFFFAOYSA-N 1 0 411.502 4.039 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(-c3cccc(C)c3)c2)cc1[N+](=O)[O-] ZINC000474348710 889227013 /nfs/dbraw/zinc/22/70/13/889227013.db2.gz VCDXVUSQAQAHMP-UHFFFAOYSA-N 1 0 420.465 4.412 20 5 HIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCN(CCc2ccccn2)CC1 ZINC000512378985 921116930 /nfs/dbraw/zinc/11/69/30/921116930.db2.gz CJGRJOUJALXPKI-UHFFFAOYSA-N 1 0 420.513 4.389 20 5 HIBDRO C[C@@]1(O)CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000475341167 890262454 /nfs/dbraw/zinc/26/24/54/890262454.db2.gz ADCRRIYKIZGIAZ-HSZRJFAPSA-N 1 0 406.486 4.184 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475715496 890653744 /nfs/dbraw/zinc/65/37/44/890653744.db2.gz QCTQPSWVUYLLKI-LBPRGKRZSA-N 1 0 401.394 4.168 20 5 HIBDRO COC(=O)COc1ccc(C[N@H+](Cc2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000475721757 890660035 /nfs/dbraw/zinc/66/00/35/890660035.db2.gz FIAPBRVCANVFNL-UHFFFAOYSA-N 1 0 404.438 4.086 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000477035134 891960758 /nfs/dbraw/zinc/96/07/58/891960758.db2.gz RTNJYXSYMVRUTM-HXUWFJFHSA-N 1 0 414.506 4.423 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000504900342 913632328 /nfs/dbraw/zinc/63/23/28/913632328.db2.gz WBNXWDVHEOUUFS-INIZCTEOSA-N 1 0 420.469 4.492 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000504900128 913632373 /nfs/dbraw/zinc/63/23/73/913632373.db2.gz RORMWBLBXSNZNI-VGSWGCGISA-N 1 0 413.518 4.490 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000504906099 913638140 /nfs/dbraw/zinc/63/81/40/913638140.db2.gz SWYHLJDENOOYLL-SFHVURJKSA-N 1 0 421.607 4.479 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000504906474 913640424 /nfs/dbraw/zinc/64/04/24/913640424.db2.gz YQHRPTIVILAXIB-FQEVSTJZSA-N 1 0 423.538 4.465 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000504911652 913644734 /nfs/dbraw/zinc/64/47/34/913644734.db2.gz JMMDWRMQFANABI-ROUUACIJSA-N 1 0 401.532 4.275 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000477375353 892337419 /nfs/dbraw/zinc/33/74/19/892337419.db2.gz RZOXMJJTHUADEI-MAUKXSAKSA-N 1 0 401.894 4.340 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000504920033 913657056 /nfs/dbraw/zinc/65/70/56/913657056.db2.gz MLNMTAULUSHTIP-APWZRJJASA-N 1 0 400.475 4.320 20 5 HIBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000477929436 893018223 /nfs/dbraw/zinc/01/82/23/893018223.db2.gz HVSHQSHRPCHLQI-FCEUIQTBSA-N 1 0 407.514 4.005 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[NH+](C)C ZINC000504984604 913730877 /nfs/dbraw/zinc/73/08/77/913730877.db2.gz HBVPHICJEMBWLG-ACJLOTCBSA-N 1 0 409.408 4.343 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000478052255 893200701 /nfs/dbraw/zinc/20/07/01/893200701.db2.gz HEBLAEVNPTZWSO-MRXNPFEDSA-N 1 0 422.957 4.163 20 5 HIBDRO C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000478616771 893878194 /nfs/dbraw/zinc/87/81/94/893878194.db2.gz BTFLDEPGCJQRSL-OLZOCXBDSA-N 1 0 419.469 4.085 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000478635687 893888581 /nfs/dbraw/zinc/88/85/81/893888581.db2.gz WERAANASQFHHIV-MRXNPFEDSA-N 1 0 407.942 4.294 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000479429142 894743290 /nfs/dbraw/zinc/74/32/90/894743290.db2.gz ZDRVBFFFKMTFLP-UHFFFAOYSA-N 1 0 421.419 4.316 20 5 HIBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000479478299 894801688 /nfs/dbraw/zinc/80/16/88/894801688.db2.gz WFLUACWDVNEFQS-QGZVFWFLSA-N 1 0 410.518 4.009 20 5 HIBDRO Cc1c(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479727426 895025952 /nfs/dbraw/zinc/02/59/52/895025952.db2.gz BSFJBLWAXXECDU-YLJYHZDGSA-N 1 0 410.518 4.003 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505297477 913954671 /nfs/dbraw/zinc/95/46/71/913954671.db2.gz HXOQOPLRENYQDP-MRXNPFEDSA-N 1 0 423.941 4.130 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)o1 ZINC000480454490 895841393 /nfs/dbraw/zinc/84/13/93/895841393.db2.gz PWJKEBLEAVHSBI-OAHLLOKOSA-N 1 0 402.397 4.074 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000482028384 897436202 /nfs/dbraw/zinc/43/62/02/897436202.db2.gz BKKJTVBXBNGDAM-CQSZACIVSA-N 1 0 420.307 4.136 20 5 HIBDRO CCC[C@@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482088183 897530053 /nfs/dbraw/zinc/53/00/53/897530053.db2.gz LDMRTABLDFUHOK-OUNSHVDWSA-N 1 0 405.564 4.160 20 5 HIBDRO C[C@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000482109226 897559764 /nfs/dbraw/zinc/55/97/64/897559764.db2.gz SGFZHWQBPDROCI-YWZLYKJASA-N 1 0 423.435 4.338 20 5 HIBDRO C[C@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000482109224 897560475 /nfs/dbraw/zinc/56/04/75/897560475.db2.gz SGFZHWQBPDROCI-MGPUTAFESA-N 1 0 423.435 4.338 20 5 HIBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141624 897602019 /nfs/dbraw/zinc/60/20/19/897602019.db2.gz KCJBIMWJBYIEDD-UTKZUKDTSA-N 1 0 423.517 4.452 20 5 HIBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141625 897602448 /nfs/dbraw/zinc/60/24/48/897602448.db2.gz KCJBIMWJBYIEDD-UWJYYQICSA-N 1 0 423.517 4.452 20 5 HIBDRO CCC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000482264822 897751189 /nfs/dbraw/zinc/75/11/89/897751189.db2.gz NJOCXTYUAXPAPB-QRWLVFNGSA-N 1 0 405.520 4.037 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000505519354 914210751 /nfs/dbraw/zinc/21/07/51/914210751.db2.gz FHACMTCSXWUUSO-NRFANRHFSA-N 1 0 405.564 4.291 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000482669207 898271375 /nfs/dbraw/zinc/27/13/75/898271375.db2.gz YVLAALNPHAGEAG-HNNXBMFYSA-N 1 0 400.454 4.159 20 5 HIBDRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000482870315 898483203 /nfs/dbraw/zinc/48/32/03/898483203.db2.gz OUHBLHPODCKQPU-MRXNPFEDSA-N 1 0 402.564 4.485 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)C1CC1 ZINC000482874304 898486297 /nfs/dbraw/zinc/48/62/97/898486297.db2.gz NRRXTSXKKWRWNW-HSZRJFAPSA-N 1 0 410.514 4.401 20 5 HIBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000483123971 898810138 /nfs/dbraw/zinc/81/01/38/898810138.db2.gz TUHVLVALCBDHFV-UHFFFAOYSA-N 1 0 410.518 4.200 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000483710562 899367810 /nfs/dbraw/zinc/36/78/10/899367810.db2.gz IABGUPZXHXGJDQ-ACJLOTCBSA-N 1 0 405.401 4.042 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000484484787 899977042 /nfs/dbraw/zinc/97/70/42/899977042.db2.gz ONEWUQDLFUXYSH-QGZVFWFLSA-N 1 0 417.893 4.196 20 5 HIBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000505734690 914413460 /nfs/dbraw/zinc/41/34/60/914413460.db2.gz WTOJDSZESJTBTI-UHFFFAOYSA-N 1 0 417.893 4.454 20 5 HIBDRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000485021498 900366728 /nfs/dbraw/zinc/36/67/28/900366728.db2.gz LWIIQGHRDQSGEE-UHFFFAOYSA-N 1 0 410.518 4.061 20 5 HIBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)nc1-c1ccc(F)cc1 ZINC000485399395 900696052 /nfs/dbraw/zinc/69/60/52/900696052.db2.gz OXBZANZLOBLLDT-UHFFFAOYSA-N 1 0 414.481 4.243 20 5 HIBDRO CSc1cccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000485494049 900784272 /nfs/dbraw/zinc/78/42/72/900784272.db2.gz RDGDNNBUXZDWSZ-MRXNPFEDSA-N 1 0 405.564 4.433 20 5 HIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cc(F)cc(Br)c1 ZINC000485849667 901094125 /nfs/dbraw/zinc/09/41/25/901094125.db2.gz RPEWSRXRHZALJZ-INIZCTEOSA-N 1 0 424.270 4.484 20 5 HIBDRO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000485881670 901118012 /nfs/dbraw/zinc/11/80/12/901118012.db2.gz GHPLNCHEGDUZGH-RDJZCZTQSA-N 1 0 417.456 4.100 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486182883 901368524 /nfs/dbraw/zinc/36/85/24/901368524.db2.gz YTXNNBYPRYAAHY-VXGBXAGGSA-N 1 0 418.357 4.049 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000486195467 901380387 /nfs/dbraw/zinc/38/03/87/901380387.db2.gz PAAOYANNSVFTLR-QGZVFWFLSA-N 1 0 405.564 4.291 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1SC ZINC000505906924 914549352 /nfs/dbraw/zinc/54/93/52/914549352.db2.gz QHXGOSZKCRGLTC-CVEARBPZSA-N 1 0 421.563 4.052 20 5 HIBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000486554897 901701987 /nfs/dbraw/zinc/70/19/87/901701987.db2.gz KAYIBTCEZFHQPT-UHFFFAOYSA-N 1 0 410.518 4.201 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[NH+](C)C ZINC000487426436 902205697 /nfs/dbraw/zinc/20/56/97/902205697.db2.gz HGBAFSVILWDBDB-VGSWGCGISA-N 1 0 418.497 4.386 20 5 HIBDRO CC(C)(NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000488043756 902560234 /nfs/dbraw/zinc/56/02/34/902560234.db2.gz ONNWDSMYGPFBNQ-UHFFFAOYSA-N 1 0 410.518 4.041 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488458396 902835139 /nfs/dbraw/zinc/83/51/39/902835139.db2.gz BZGDFZYJNMVWMY-DNVCBOLYSA-N 1 0 409.511 4.450 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000488768800 902985635 /nfs/dbraw/zinc/98/56/35/902985635.db2.gz MRTASFGRJKBYJA-UHFFFAOYSA-N 1 0 406.486 4.234 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000489413506 903373192 /nfs/dbraw/zinc/37/31/92/903373192.db2.gz NSLXJQNBDGNUIS-MRXNPFEDSA-N 1 0 416.547 4.237 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000489600620 903490388 /nfs/dbraw/zinc/49/03/88/903490388.db2.gz VFZUDDQGCVAUKY-UWJYYQICSA-N 1 0 413.543 4.337 20 5 HIBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000489833332 903618783 /nfs/dbraw/zinc/61/87/83/903618783.db2.gz BWVNCIZHLROZOX-IAGOWNOFSA-N 1 0 416.566 4.070 20 5 HIBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489867873 903639635 /nfs/dbraw/zinc/63/96/35/903639635.db2.gz CHYBEZQLXDZRJF-QFIPXVFZSA-N 1 0 408.502 4.106 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000489936600 903686826 /nfs/dbraw/zinc/68/68/26/903686826.db2.gz RZEQRRUGBOAJMM-MRXNPFEDSA-N 1 0 401.532 4.347 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797047 904242780 /nfs/dbraw/zinc/24/27/80/904242780.db2.gz NNFINDGSVWLDCN-AEFFLSMTSA-N 1 0 413.543 4.347 20 5 HIBDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000506102111 914804315 /nfs/dbraw/zinc/80/43/15/914804315.db2.gz XDDZUJMRRSMGMG-UHFFFAOYSA-N 1 0 417.893 4.341 20 5 HIBDRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OCC(F)F ZINC000491037218 904390215 /nfs/dbraw/zinc/39/02/15/904390215.db2.gz NWQUEFHASXVLEK-UHFFFAOYSA-N 1 0 405.401 4.061 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)c2ccccc2)c1 ZINC000491356263 904552963 /nfs/dbraw/zinc/55/29/63/904552963.db2.gz LEMWFWXVLJTVIM-RPBOFIJWSA-N 1 0 417.509 4.347 20 5 HIBDRO Cc1ccc([C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000491421910 904588012 /nfs/dbraw/zinc/58/80/12/904588012.db2.gz FUFUEBDVGWRFJS-LADGPHEKSA-N 1 0 421.497 4.249 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000491423154 904588255 /nfs/dbraw/zinc/58/82/55/904588255.db2.gz LEDMVNOFPWLZPE-GHTZIAJQSA-N 1 0 422.529 4.322 20 5 HIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1N1CCOCC1 ZINC000506149020 914825328 /nfs/dbraw/zinc/82/53/28/914825328.db2.gz VRDRMLGMCQDFHG-UHFFFAOYSA-N 1 0 407.470 4.323 20 5 HIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000492752704 904897563 /nfs/dbraw/zinc/89/75/63/904897563.db2.gz XEXVJYPAWCYBRS-MRXNPFEDSA-N 1 0 420.469 4.492 20 5 HIBDRO CCOc1cc(C[N@H+](Cc2cccc(OC)c2)C2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000492763661 904900013 /nfs/dbraw/zinc/90/00/13/904900013.db2.gz AWKHKWMDUPDIJV-UHFFFAOYSA-N 1 0 414.502 4.308 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492960437 904968223 /nfs/dbraw/zinc/96/82/23/904968223.db2.gz MGMFJAGYKMHKMK-ICSRJNTNSA-N 1 0 410.518 4.128 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000493105302 905020103 /nfs/dbraw/zinc/02/01/03/905020103.db2.gz LPNLINTZXCXEKG-MOPGFXCFSA-N 1 0 402.539 4.118 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000493108006 905022937 /nfs/dbraw/zinc/02/29/37/905022937.db2.gz UQBSWDDVXOWJBC-RTBURBONSA-N 1 0 402.539 4.262 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)c2ccccc2)c1 ZINC000493152141 905034535 /nfs/dbraw/zinc/03/45/35/905034535.db2.gz RPNFOQQVVJBTGE-SFHVURJKSA-N 1 0 417.391 4.195 20 5 HIBDRO COc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512395709 921131498 /nfs/dbraw/zinc/13/14/98/921131498.db2.gz ZKYYRKXQJAAVMY-UHFFFAOYSA-N 1 0 422.485 4.216 20 5 HIBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@@H]21 ZINC000493928082 905279431 /nfs/dbraw/zinc/27/94/31/905279431.db2.gz QNDZPCQNWGMQTN-JXFKEZNVSA-N 1 0 411.527 4.302 20 5 HIBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512408118 921141370 /nfs/dbraw/zinc/14/13/70/921141370.db2.gz ASWPSZQLYBTBDG-HXUWFJFHSA-N 1 0 424.545 4.491 20 5 HIBDRO O=C(NCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000494052060 905391569 /nfs/dbraw/zinc/39/15/69/905391569.db2.gz ZWLGWEVQRMPCGD-QFIPXVFZSA-N 1 0 407.445 4.233 20 5 HIBDRO C[C@H]1[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494069340 905406042 /nfs/dbraw/zinc/40/60/42/905406042.db2.gz OJQWDYQQXQKNKW-UWJYYQICSA-N 1 0 416.481 4.050 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494464019 905747037 /nfs/dbraw/zinc/74/70/37/905747037.db2.gz IHRYQGRNPYTOHI-NBHSMZAVSA-N 1 0 424.284 4.348 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494479368 905761464 /nfs/dbraw/zinc/76/14/64/905761464.db2.gz VNNLTWVTZBFSBL-YLJYHZDGSA-N 1 0 421.856 4.144 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)c2C1 ZINC000494480606 905761788 /nfs/dbraw/zinc/76/17/88/905761788.db2.gz WOVWSENXGPVAIT-UHFFFAOYSA-N 1 0 405.458 4.004 20 5 HIBDRO COc1cc(C[NH2+]CCc2c(C)[nH]c3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000494665713 905890582 /nfs/dbraw/zinc/89/05/82/905890582.db2.gz NEVDCMUZUAEAKU-UHFFFAOYSA-N 1 0 419.428 4.369 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000495173558 906287220 /nfs/dbraw/zinc/28/72/20/906287220.db2.gz KNVLQGBOVCNDPQ-VGSWGCGISA-N 1 0 406.486 4.088 20 5 HIBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000512556350 921234125 /nfs/dbraw/zinc/23/41/25/921234125.db2.gz XGXKDBVZPMIQHW-QZTJIDSGSA-N 1 0 424.545 4.069 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000497538621 907030508 /nfs/dbraw/zinc/03/05/08/907030508.db2.gz YNMIGTCSUJZTIY-INIZCTEOSA-N 1 0 417.531 4.074 20 5 HIBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498356189 907855444 /nfs/dbraw/zinc/85/54/44/907855444.db2.gz ZJSNUNZNRCNIFS-IAGOWNOFSA-N 1 0 403.866 4.045 20 5 HIBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498718085 908143700 /nfs/dbraw/zinc/14/37/00/908143700.db2.gz BKOXNVXWJZPLDK-CQSZACIVSA-N 1 0 403.866 4.207 20 5 HIBDRO COc1cc(CN2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513027408 921487037 /nfs/dbraw/zinc/48/70/37/921487037.db2.gz KRAHPBLFIMQZNN-UHFFFAOYSA-N 1 0 413.518 4.145 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)c1ccccc1 ZINC000513056694 921513801 /nfs/dbraw/zinc/51/38/01/921513801.db2.gz KIFWFADJDUIWSK-SFHVURJKSA-N 1 0 419.481 4.497 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000513061112 921517038 /nfs/dbraw/zinc/51/70/38/921517038.db2.gz HGLCEIPZYRAUCT-OLZOCXBDSA-N 1 0 406.280 4.425 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)o2)c(Cl)c1 ZINC000500221237 909712833 /nfs/dbraw/zinc/71/28/33/909712833.db2.gz JPZWEOBQYATHIS-HNNXBMFYSA-N 1 0 404.825 4.341 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000513061111 921517338 /nfs/dbraw/zinc/51/73/38/921517338.db2.gz HGLCEIPZYRAUCT-CHWSQXEVSA-N 1 0 406.280 4.425 20 5 HIBDRO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N[C@@H]1CCOc2ccccc21 ZINC000500463745 909872961 /nfs/dbraw/zinc/87/29/61/909872961.db2.gz UVCTUPVNUKCJDL-GOSISDBHSA-N 1 0 423.494 4.053 20 5 HIBDRO COc1cc(C[NH+]2CCC(C)(OC)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000500696479 910029973 /nfs/dbraw/zinc/02/99/73/910029973.db2.gz KHQXTNYVZJBNGV-UHFFFAOYSA-N 1 0 400.475 4.183 20 5 HIBDRO COCC1(C)CC[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000500759895 910064289 /nfs/dbraw/zinc/06/42/89/910064289.db2.gz ZYZJMSRSIUENHP-UHFFFAOYSA-N 1 0 414.502 4.431 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1SC ZINC000500892704 910163792 /nfs/dbraw/zinc/16/37/92/910163792.db2.gz OWRDRMIUSWCTJU-UHFFFAOYSA-N 1 0 421.563 4.054 20 5 HIBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000513144992 921582626 /nfs/dbraw/zinc/58/26/26/921582626.db2.gz PDWISUSFYGYURR-CQSZACIVSA-N 1 0 408.296 4.143 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513153751 921587591 /nfs/dbraw/zinc/58/75/91/921587591.db2.gz LMEWBNRASGDBNI-OAQYLSRUSA-N 1 0 422.485 4.216 20 5 HIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329053 911306785 /nfs/dbraw/zinc/30/67/85/911306785.db2.gz DBFGPZHRAHTOBE-MAUKXSAKSA-N 1 0 411.506 4.387 20 5 HIBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000502621879 911647830 /nfs/dbraw/zinc/64/78/30/911647830.db2.gz CBPNRULHDANVQO-UHFFFAOYSA-N 1 0 410.518 4.057 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000502787258 911809744 /nfs/dbraw/zinc/80/97/44/911809744.db2.gz HEOAFLBBQPAKMU-KKXNLOMOSA-N 1 0 402.539 4.307 20 5 HIBDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000506295960 914890720 /nfs/dbraw/zinc/89/07/20/914890720.db2.gz VUMRSDLZJGLCKN-LBPRGKRZSA-N 1 0 423.263 4.002 20 5 HIBDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000506706812 915383812 /nfs/dbraw/zinc/38/38/12/915383812.db2.gz IBYHVAKWDKPIMX-OAQYLSRUSA-N 1 0 422.485 4.350 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513434850 921803826 /nfs/dbraw/zinc/80/38/26/921803826.db2.gz NHRUUXOIHJVUNK-IBGZPJMESA-N 1 0 406.442 4.061 20 5 HIBDRO CNC(=O)c1ccc(NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000507105853 915872113 /nfs/dbraw/zinc/87/21/13/915872113.db2.gz WTTGWRJEPFPIQY-CALCHBBNSA-N 1 0 410.518 4.044 20 5 HIBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507182301 915928772 /nfs/dbraw/zinc/92/87/72/915928772.db2.gz UKDRKKHTRFODOV-INIZCTEOSA-N 1 0 408.458 4.141 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCCc1cc(-c2ccccc2)no1 ZINC000507198501 915947188 /nfs/dbraw/zinc/94/71/88/915947188.db2.gz XFQIQERTQOUKQI-UHFFFAOYSA-N 1 0 408.458 4.061 20 5 HIBDRO Cc1cc(CC[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)on1 ZINC000507245319 916005865 /nfs/dbraw/zinc/00/58/65/916005865.db2.gz YNZOZROIGVGBGS-LJQANCHMSA-N 1 0 414.849 4.057 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000507726093 916520956 /nfs/dbraw/zinc/52/09/56/916520956.db2.gz OXGPSWSMYOWRRY-GOSISDBHSA-N 1 0 416.522 4.246 20 5 HIBDRO O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000507859451 916692084 /nfs/dbraw/zinc/69/20/84/916692084.db2.gz MEEVMSSNAJDYRB-UHFFFAOYSA-N 1 0 417.918 4.320 20 5 HIBDRO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCC2 ZINC000507920054 916800346 /nfs/dbraw/zinc/80/03/46/916800346.db2.gz QJRYBWWIEYVXIE-GOSISDBHSA-N 1 0 412.515 4.333 20 5 HIBDRO COc1cc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1O ZINC000507922095 916801308 /nfs/dbraw/zinc/80/13/08/916801308.db2.gz KIGYOSKRNKEGEK-UHFFFAOYSA-N 1 0 401.246 4.175 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000507949622 916812166 /nfs/dbraw/zinc/81/21/66/916812166.db2.gz MFCYARMPBZDOJH-MRXNPFEDSA-N 1 0 423.444 4.321 20 5 HIBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000508454613 917238601 /nfs/dbraw/zinc/23/86/01/917238601.db2.gz ILSBWEMOMFFIDY-SFHVURJKSA-N 1 0 401.532 4.482 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+](C)C ZINC000508851834 917604534 /nfs/dbraw/zinc/60/45/34/917604534.db2.gz IEHMMNLDLZYJJN-VGOFRKELSA-N 1 0 410.518 4.269 20 5 HIBDRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000509355348 918018796 /nfs/dbraw/zinc/01/87/96/918018796.db2.gz CHQBWPCQJSEBLN-UYZDIKGJSA-N 1 0 400.866 4.007 20 5 HIBDRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000509355349 918019732 /nfs/dbraw/zinc/01/97/32/918019732.db2.gz CHQBWPCQJSEBLN-WUTVXBCWSA-N 1 0 400.866 4.007 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000509378949 918046433 /nfs/dbraw/zinc/04/64/33/918046433.db2.gz LZPKXRVTZQTLRZ-UHFFFAOYSA-N 1 0 410.518 4.179 20 5 HIBDRO Cn1cc(C[N@H+](C)Cc2cc(Br)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509419094 918079535 /nfs/dbraw/zinc/07/95/35/918079535.db2.gz MMHXITPIRGROOZ-UHFFFAOYSA-N 1 0 421.320 4.451 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000509640823 918281739 /nfs/dbraw/zinc/28/17/39/918281739.db2.gz NYFKUNACSYWTAA-QFIPXVFZSA-N 1 0 424.545 4.079 20 5 HIBDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000509676482 918307536 /nfs/dbraw/zinc/30/75/36/918307536.db2.gz VCQLGJDTTHAAIR-GOSISDBHSA-N 1 0 409.408 4.313 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[NH+]2CCCC2)o1 ZINC000509730607 918353838 /nfs/dbraw/zinc/35/38/38/918353838.db2.gz SYJPABAEFVXUMF-FQEVSTJZSA-N 1 0 414.506 4.253 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000509763167 918377449 /nfs/dbraw/zinc/37/74/49/918377449.db2.gz QISNAHJCHUEFRH-RXVVDRJESA-N 1 0 410.518 4.350 20 5 HIBDRO 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 918392375 /nfs/dbraw/zinc/39/23/75/918392375.db2.gz DVRVUZDKFZQMOS-HDICACEKSA-N 1 0 404.555 4.271 20 5 HIBDRO Cc1nccn1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000509956224 918549898 /nfs/dbraw/zinc/54/98/98/918549898.db2.gz HFFMJMZRWLSXHG-UHFFFAOYSA-N 1 0 419.279 4.302 20 5 HIBDRO C[C@H]1CN(C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)CCO1 ZINC000510548315 918992640 /nfs/dbraw/zinc/99/26/40/918992640.db2.gz AKLGVTVHEJYDQY-INIZCTEOSA-N 1 0 401.532 4.008 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510551376 918996871 /nfs/dbraw/zinc/99/68/71/918996871.db2.gz TZLJEXKLBMMRSM-MGPUTAFESA-N 1 0 401.532 4.436 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000510727783 919172557 /nfs/dbraw/zinc/17/25/57/919172557.db2.gz UZIJHGWZBXGYHB-UHFFFAOYSA-N 1 0 410.518 4.285 20 5 HIBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000510931422 919452750 /nfs/dbraw/zinc/45/27/50/919452750.db2.gz SDVPCRYLPXQJOH-DZFGPLHGSA-N 1 0 408.502 4.202 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1Cl ZINC000511547465 920177062 /nfs/dbraw/zinc/17/70/62/920177062.db2.gz OTXQLFWCMPWCJQ-GOSISDBHSA-N 1 0 405.882 4.070 20 5 HIBDRO O=C(C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000511559253 920199633 /nfs/dbraw/zinc/19/96/33/920199633.db2.gz YXMKROSPBUOSHT-SFHVURJKSA-N 1 0 409.364 4.173 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)c1ccsc1 ZINC000511765403 920448942 /nfs/dbraw/zinc/44/89/42/920448942.db2.gz PYFLVBGDBQPYCG-UHFFFAOYSA-N 1 0 411.483 4.311 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000512007421 920778531 /nfs/dbraw/zinc/77/85/31/920778531.db2.gz ICADAKNXYROPBB-MRXNPFEDSA-N 1 0 406.486 4.381 20 5 HIBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000512078640 920842972 /nfs/dbraw/zinc/84/29/72/920842972.db2.gz UXIGOQYWFQSLQP-DYESRHJHSA-N 1 0 410.518 4.256 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1[N+](=O)[O-] ZINC000512087643 920851632 /nfs/dbraw/zinc/85/16/32/920851632.db2.gz KFQMLCUAEVJZSJ-UHFFFAOYSA-N 1 0 406.364 4.098 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178783 920917990 /nfs/dbraw/zinc/91/79/90/920917990.db2.gz KIZPLCBUZXVFIF-OALUTQOASA-N 1 0 411.550 4.082 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCO)[C@@H]3CCCc4ccccc43)o2)c1 ZINC000512366582 921108556 /nfs/dbraw/zinc/10/85/56/921108556.db2.gz DAXLLMMHQCKWIG-OAQYLSRUSA-N 1 0 407.470 4.164 20 5 HIBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000513444396 921810944 /nfs/dbraw/zinc/81/09/44/921810944.db2.gz VDHIGWRGAWIQGJ-OAHLLOKOSA-N 1 0 420.307 4.286 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513491464 921843943 /nfs/dbraw/zinc/84/39/43/921843943.db2.gz UCOXVIPTXLXXMI-IBGZPJMESA-N 1 0 400.475 4.041 20 5 HIBDRO CC[NH+](CC)[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513761806 922079956 /nfs/dbraw/zinc/07/99/56/922079956.db2.gz OWQDNOGLPHIVJW-FCHUYYIVSA-N 1 0 407.518 4.090 20 5 HIBDRO O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000513787351 922112051 /nfs/dbraw/zinc/11/20/51/922112051.db2.gz XNOFHSMKKYMFRL-FYYLOGMGSA-N 1 0 417.509 4.306 20 5 HIBDRO Cn1ccnc1[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000514085711 922410248 /nfs/dbraw/zinc/41/02/48/922410248.db2.gz WSKLGLMSZKYKLC-HSZRJFAPSA-N 1 0 419.529 4.193 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000514105377 922435738 /nfs/dbraw/zinc/43/57/38/922435738.db2.gz QZVOXEBHQZCKSM-JOCHJYFZSA-N 1 0 407.518 4.049 20 5 HIBDRO CCC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCc2sccc2C1 ZINC000514991468 922870468 /nfs/dbraw/zinc/87/04/68/922870468.db2.gz VDJMSRNOICQURD-PMACEKPBSA-N 1 0 413.543 4.377 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(OC)c1 ZINC000515298538 923040526 /nfs/dbraw/zinc/04/05/26/923040526.db2.gz MQHGVDFMORUZES-IBGZPJMESA-N 1 0 411.458 4.163 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000515528751 923157679 /nfs/dbraw/zinc/15/76/79/923157679.db2.gz NAFVTZMYQOTRPR-HRAATJIYSA-N 1 0 414.506 4.047 20 5 HIBDRO COC(=O)c1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc([N+](=O)[O-])c1 ZINC000515574137 923189969 /nfs/dbraw/zinc/18/99/69/923189969.db2.gz LUMYPBZKOPPSGU-OAHLLOKOSA-N 1 0 411.458 4.008 20 5 HIBDRO CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[NH+](C)C)cc1 ZINC000515607558 923212278 /nfs/dbraw/zinc/21/22/78/923212278.db2.gz URXKXDWWWYAJQA-JOCHJYFZSA-N 1 0 410.518 4.108 20 5 HIBDRO O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[NH+](CC2CC2)CC1 ZINC000516152600 923577320 /nfs/dbraw/zinc/57/73/20/923577320.db2.gz URABAKHNCSPEBL-UHFFFAOYSA-N 1 0 415.877 4.208 20 5 HIBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2[N+](=O)[O-])C1 ZINC000517302734 924088363 /nfs/dbraw/zinc/08/83/63/924088363.db2.gz CEQSUJDTCKZXDH-IAGOWNOFSA-N 1 0 410.518 4.391 20 5 HIBDRO Cc1sc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000517353833 924127444 /nfs/dbraw/zinc/12/74/44/924127444.db2.gz WLZWAIBRLWUJFC-UHFFFAOYSA-N 1 0 407.923 4.260 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000517539796 924253320 /nfs/dbraw/zinc/25/33/20/924253320.db2.gz ATOAAFCCFCBBAM-SFHVURJKSA-N 1 0 410.518 4.011 20 5 HIBDRO C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562395381 945069208 /nfs/dbraw/zinc/06/92/08/945069208.db2.gz YVNCEBBDPGZQAD-QRWLVFNGSA-N 1 0 401.894 4.305 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000517875312 926871236 /nfs/dbraw/zinc/87/12/36/926871236.db2.gz ARVJVJZTQVZZCV-GOSISDBHSA-N 1 0 411.502 4.055 20 5 HIBDRO COc1cc(C[NH2+]CC(C)(C)c2ncccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000518268783 927126427 /nfs/dbraw/zinc/12/64/27/927126427.db2.gz XUHLSGHGRVHTFM-UHFFFAOYSA-N 1 0 409.433 4.018 20 5 HIBDRO CC(C)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000518444987 927277750 /nfs/dbraw/zinc/27/77/50/927277750.db2.gz ZXNCSOHCRHYNSY-UHFFFAOYSA-N 1 0 414.218 4.363 20 5 HIBDRO COc1ccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1OC ZINC000518502218 927312903 /nfs/dbraw/zinc/31/29/03/927312903.db2.gz XHMOLDTZOPPHMY-QGZVFWFLSA-N 1 0 404.894 4.419 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(N4CCCC4)CCOCC3)s2)cc1 ZINC000518774353 927486075 /nfs/dbraw/zinc/48/60/75/927486075.db2.gz BDBUNNANWGINPK-UHFFFAOYSA-N 1 0 401.532 4.058 20 5 HIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000520564587 928644809 /nfs/dbraw/zinc/64/48/09/928644809.db2.gz BKCDZIYSTISKOG-QGZVFWFLSA-N 1 0 413.522 4.080 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC[N@@H+]4CCCC[C@H]34)o2)c(Br)c1 ZINC000520949714 928885896 /nfs/dbraw/zinc/88/58/96/928885896.db2.gz NIEDXKVNRWPGMS-QZTJIDSGSA-N 1 0 420.307 4.334 20 5 HIBDRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)oc21 ZINC000520970532 928896161 /nfs/dbraw/zinc/89/61/61/928896161.db2.gz OUNYFIIBZHUZJO-KBXCAEBGSA-N 1 0 409.442 4.196 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000521248857 929079907 /nfs/dbraw/zinc/07/99/07/929079907.db2.gz DXCHDJCIOWMYQA-YOEHRIQHSA-N 1 0 415.877 4.027 20 5 HIBDRO COc1ccc(C[NH2+]C[C@H]2Cc3ccccc3O2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521826209 929480789 /nfs/dbraw/zinc/48/07/89/929480789.db2.gz PKSVRIHGEDNDLE-OAQYLSRUSA-N 1 0 420.465 4.276 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000524637715 929747748 /nfs/dbraw/zinc/74/77/48/929747748.db2.gz QETMOAAAXJHMEE-HSZRJFAPSA-N 1 0 423.538 4.050 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355023 930193163 /nfs/dbraw/zinc/19/31/63/930193163.db2.gz QVEMNGDTSCAZKF-TZIWHRDSSA-N 1 0 416.566 4.214 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1cccs1 ZINC000525556060 930323848 /nfs/dbraw/zinc/32/38/48/930323848.db2.gz QBSJAFBOUZTOGO-LIRRHRJNSA-N 1 0 407.923 4.052 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1cccs1 ZINC000525556059 930324124 /nfs/dbraw/zinc/32/41/24/930324124.db2.gz QBSJAFBOUZTOGO-KUHUBIRLSA-N 1 0 407.923 4.052 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000527289448 930627813 /nfs/dbraw/zinc/62/78/13/930627813.db2.gz YYMFMKVDDGIXFG-VLIAUNLRSA-N 1 0 403.429 4.023 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530589667 930761325 /nfs/dbraw/zinc/76/13/25/930761325.db2.gz NVVVYFMKPQHMSR-UGSOOPFHSA-N 1 0 407.923 4.148 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000530972880 930872501 /nfs/dbraw/zinc/87/25/01/930872501.db2.gz CAQGDQGESSDSEA-JHXTVGTDSA-N 1 0 403.866 4.118 20 5 HIBDRO C[N@H+](Cc1ccccc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000531149055 930945729 /nfs/dbraw/zinc/94/57/29/930945729.db2.gz DCDRWSSRJNUHLD-UHFFFAOYSA-N 1 0 422.529 4.361 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccncc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531389979 931040845 /nfs/dbraw/zinc/04/08/45/931040845.db2.gz FEFCQEOSGOAWOZ-QGZVFWFLSA-N 1 0 407.470 4.298 20 5 HIBDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)C1 ZINC000531610144 931125044 /nfs/dbraw/zinc/12/50/44/931125044.db2.gz KJVRRVJYSFGLKA-IBGZPJMESA-N 1 0 411.502 4.395 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000531692067 931156085 /nfs/dbraw/zinc/15/60/85/931156085.db2.gz FJTMZMZYFLUXOC-IRXDYDNUSA-N 1 0 419.547 4.346 20 5 HIBDRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000531970510 931270461 /nfs/dbraw/zinc/27/04/61/931270461.db2.gz ZGQXJDKYMRWBOD-MRXNPFEDSA-N 1 0 402.564 4.485 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000532210157 931353419 /nfs/dbraw/zinc/35/34/19/931353419.db2.gz RISSVMAUHKESDM-DYESRHJHSA-N 1 0 411.502 4.398 20 5 HIBDRO C[C@@H](c1cccs1)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000532473210 931452560 /nfs/dbraw/zinc/45/25/60/931452560.db2.gz ISNPRAAVBKIQLR-LBPRGKRZSA-N 1 0 402.501 4.411 20 5 HIBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000532670299 931577928 /nfs/dbraw/zinc/57/79/28/931577928.db2.gz WRLYTMDCTYGLIT-UHFFFAOYSA-N 1 0 408.458 4.193 20 5 HIBDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893996 931682993 /nfs/dbraw/zinc/68/29/93/931682993.db2.gz ULXJSQPGAUUHIK-KDOFPFPSSA-N 1 0 411.458 4.274 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000533221789 931813442 /nfs/dbraw/zinc/81/34/42/931813442.db2.gz MBTMVJSGNCCDEP-UHFFFAOYSA-N 1 0 420.469 4.254 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000533284496 931827450 /nfs/dbraw/zinc/82/74/50/931827450.db2.gz KKQXTDFWGCVNDP-SFHVURJKSA-N 1 0 407.426 4.358 20 5 HIBDRO C[C@@H]1SCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000533289319 931828833 /nfs/dbraw/zinc/82/88/33/931828833.db2.gz DOSPYXKUASYOFN-YWZLYKJASA-N 1 0 413.499 4.071 20 5 HIBDRO CC(C)c1nc([C@@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)no1 ZINC000533404707 931859482 /nfs/dbraw/zinc/85/94/82/931859482.db2.gz RFGXVBFLBQAYOT-MRXNPFEDSA-N 1 0 411.462 4.178 20 5 HIBDRO COc1ccc([C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2OC)cc1 ZINC000533563495 931901681 /nfs/dbraw/zinc/90/16/81/931901681.db2.gz ADFZZHQIYOWEHV-QHCPKHFHSA-N 1 0 408.454 4.500 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccc(-n4ccnn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000533756634 932013446 /nfs/dbraw/zinc/01/34/46/932013446.db2.gz NFFGYYCHVYEPGO-HNNXBMFYSA-N 1 0 419.441 4.295 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000533975957 932153576 /nfs/dbraw/zinc/15/35/76/932153576.db2.gz VZFOQAAVIAXABY-KRWDZBQOSA-N 1 0 412.534 4.122 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534122532 932289040 /nfs/dbraw/zinc/28/90/40/932289040.db2.gz QDIKVVKDKMVZHN-GOSISDBHSA-N 1 0 406.486 4.346 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534228268 932347541 /nfs/dbraw/zinc/34/75/41/932347541.db2.gz HMHKBGXPMWOZGO-LIRRHRJNSA-N 1 0 405.857 4.119 20 5 HIBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C2)CC1 ZINC000534412453 932433115 /nfs/dbraw/zinc/43/31/15/932433115.db2.gz VWKCYXGKGDBOOJ-GOSISDBHSA-N 1 0 409.486 4.191 20 5 HIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)nc2c1 ZINC000534951369 932854793 /nfs/dbraw/zinc/85/47/93/932854793.db2.gz BEONOWMLYZCFCT-MRXNPFEDSA-N 1 0 418.457 4.209 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1Cc1ccccc1 ZINC000535397830 933114909 /nfs/dbraw/zinc/11/49/09/933114909.db2.gz PEHXEVHVZMVUOE-FXAWDEMLSA-N 1 0 420.513 4.130 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535675958 933324331 /nfs/dbraw/zinc/32/43/31/933324331.db2.gz MOYFSXCMSKQGJO-UHFFFAOYSA-N 1 0 424.501 4.123 20 5 HIBDRO Cc1c(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cccc1[N+](=O)[O-] ZINC000535679031 933329834 /nfs/dbraw/zinc/32/98/34/933329834.db2.gz DZMAGLDNRHQGHG-UHFFFAOYSA-N 1 0 408.502 4.423 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000535727033 933368187 /nfs/dbraw/zinc/36/81/87/933368187.db2.gz VQQAWFIYKQFTEZ-KRWDZBQOSA-N 1 0 407.923 4.393 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535765434 933379002 /nfs/dbraw/zinc/37/90/02/933379002.db2.gz UZVMDSZNEQKCEQ-HGKCTWBKSA-N 1 0 400.475 4.228 20 5 HIBDRO CC1CC[NH+](Cc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)CC1 ZINC000536156362 933691141 /nfs/dbraw/zinc/69/11/41/933691141.db2.gz UJCCJUMTUOCESR-UHFFFAOYSA-N 1 0 406.486 4.489 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537346702 933728589 /nfs/dbraw/zinc/72/85/89/933728589.db2.gz BJQRRZUGIIXYBD-AUUYWEPGSA-N 1 0 421.419 4.455 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000537638873 938343298 /nfs/dbraw/zinc/34/32/98/938343298.db2.gz KZGIECBLNNBWRN-UHFFFAOYSA-N 1 0 413.543 4.364 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537646613 938345314 /nfs/dbraw/zinc/34/53/14/938345314.db2.gz DUULYDHBJRWCDM-JZLODUJNSA-N 1 0 413.440 4.121 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000537813380 938382929 /nfs/dbraw/zinc/38/29/29/938382929.db2.gz MABULOZXACDCSQ-UHFFFAOYSA-N 1 0 405.564 4.291 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000537942515 938425993 /nfs/dbraw/zinc/42/59/93/938425993.db2.gz GLUDWCKLNJOKQY-AVCGJXAMSA-N 1 0 407.518 4.474 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000537968523 938439705 /nfs/dbraw/zinc/43/97/05/938439705.db2.gz KKTGJFJONJJJCE-UONOGXRCSA-N 1 0 411.487 4.181 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000537973920 938443011 /nfs/dbraw/zinc/44/30/11/938443011.db2.gz GSAAEOOHXJMRQO-GOSISDBHSA-N 1 0 407.580 4.090 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537991298 938453319 /nfs/dbraw/zinc/45/33/19/938453319.db2.gz QWQXTBLURGEBLS-NRFANRHFSA-N 1 0 417.531 4.010 20 5 HIBDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(C)C ZINC000538153187 938524970 /nfs/dbraw/zinc/52/49/70/938524970.db2.gz QEISCLWQSSFASG-INIZCTEOSA-N 1 0 415.490 4.378 20 5 HIBDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538175897 938536652 /nfs/dbraw/zinc/53/66/52/938536652.db2.gz FZAWXEPZZXQXNN-GFCCVEGCSA-N 1 0 422.279 4.045 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000538260132 938577348 /nfs/dbraw/zinc/57/73/48/938577348.db2.gz YAZGIARGCHRHKS-GFCCVEGCSA-N 1 0 411.380 4.302 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000538589059 938656451 /nfs/dbraw/zinc/65/64/51/938656451.db2.gz NRSZIXBNVBNGQG-UHFFFAOYSA-N 1 0 401.532 4.479 20 5 HIBDRO CCC1(O)CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538738775 938697865 /nfs/dbraw/zinc/69/78/65/938697865.db2.gz ZFPSWTKFVTVMEA-UHFFFAOYSA-N 1 0 406.486 4.184 20 5 HIBDRO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000538740457 938698193 /nfs/dbraw/zinc/69/81/93/938698193.db2.gz PJFQTPHPAOCOOE-UHFFFAOYSA-N 1 0 409.442 4.151 20 5 HIBDRO Cn1cc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538751237 938702265 /nfs/dbraw/zinc/70/22/65/938702265.db2.gz WSPPOPBSEPRCJH-FQEVSTJZSA-N 1 0 412.877 4.302 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000538763017 938704852 /nfs/dbraw/zinc/70/48/52/938704852.db2.gz YUTKSYKKKFLHBX-AWEZNQCLSA-N 1 0 417.531 4.327 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000539104352 938803758 /nfs/dbraw/zinc/80/37/58/938803758.db2.gz DWAKALHSFGHNSS-UHFFFAOYSA-N 1 0 411.502 4.155 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000539333490 938843144 /nfs/dbraw/zinc/84/31/44/938843144.db2.gz CVLPVLKZZZOZGT-CVEARBPZSA-N 1 0 420.469 4.343 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1OC ZINC000539897197 938971037 /nfs/dbraw/zinc/97/10/37/938971037.db2.gz ZWXWOKATBFGTRT-ZDUSSCGKSA-N 1 0 415.421 4.272 20 5 HIBDRO O=C(c1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)N1CCCCC1 ZINC000540188051 939113410 /nfs/dbraw/zinc/11/34/10/939113410.db2.gz GGFBGVGSSCJMJL-JOCHJYFZSA-N 1 0 407.514 4.332 20 5 HIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1-n1cccn1 ZINC000540360444 939209226 /nfs/dbraw/zinc/20/92/26/939209226.db2.gz PRIOYLLAOYSZLK-MRXNPFEDSA-N 1 0 403.442 4.329 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000540367597 939212791 /nfs/dbraw/zinc/21/27/91/939212791.db2.gz FJTAXSMYEBTCNK-OAQYLSRUSA-N 1 0 423.444 4.391 20 5 HIBDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000540392972 939232180 /nfs/dbraw/zinc/23/21/80/939232180.db2.gz OEEBMYKRVXPDMZ-HNNXBMFYSA-N 1 0 404.898 4.083 20 5 HIBDRO CCSc1ccc([C@@H](C)[NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000540401973 939235398 /nfs/dbraw/zinc/23/53/98/939235398.db2.gz PVIAKWGNPCJWAP-CQSZACIVSA-N 1 0 401.488 4.356 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408010 939237764 /nfs/dbraw/zinc/23/77/64/939237764.db2.gz OCIPDGLNCBVBNA-DLBZAZTESA-N 1 0 400.498 4.288 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000540425973 939244554 /nfs/dbraw/zinc/24/45/54/939244554.db2.gz POPSWZMLMBMTRZ-INIZCTEOSA-N 1 0 420.469 4.345 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000540511241 939282443 /nfs/dbraw/zinc/28/24/43/939282443.db2.gz MRQRCNLNDLTBRO-IRXDYDNUSA-N 1 0 410.518 4.143 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000540520476 939285473 /nfs/dbraw/zinc/28/54/73/939285473.db2.gz QQZCJAUOJRIGFZ-ADYAMRHXSA-N 1 0 403.866 4.182 20 5 HIBDRO COc1ccc(NC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541103974 939461401 /nfs/dbraw/zinc/46/14/01/939461401.db2.gz VJCRPNRQCDVGMD-AEFFLSMTSA-N 1 0 412.490 4.026 20 5 HIBDRO COc1ccc(C[NH2+]CCc2c[nH]c3ccc(Br)cc23)cc1[N+](=O)[O-] ZINC000541387023 939502921 /nfs/dbraw/zinc/50/29/21/939502921.db2.gz TYKLENRMEQEETG-UHFFFAOYSA-N 1 0 404.264 4.180 20 5 HIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nc(C(F)(F)F)cs1 ZINC000541630903 939576555 /nfs/dbraw/zinc/57/65/55/939576555.db2.gz IIWIVWSWIDTPBD-LBPRGKRZSA-N 1 0 416.425 4.448 20 5 HIBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541638987 939581709 /nfs/dbraw/zinc/58/17/09/939581709.db2.gz DPVMAZGUYWLKNZ-UHFFFAOYSA-N 1 0 403.548 4.234 20 5 HIBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541695998 939607368 /nfs/dbraw/zinc/60/73/68/939607368.db2.gz JHPPYLCHVHJMCM-DNVCBOLYSA-N 1 0 421.856 4.178 20 5 HIBDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3C)c2)cc1 ZINC000541772031 939626897 /nfs/dbraw/zinc/62/68/97/939626897.db2.gz UUKFVDVMRCJIPQ-UHFFFAOYSA-N 1 0 403.482 4.431 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000541779970 939628265 /nfs/dbraw/zinc/62/82/65/939628265.db2.gz SITGYRMPCWYXMA-SNVBAGLBSA-N 1 0 419.425 4.203 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000541786337 939630061 /nfs/dbraw/zinc/63/00/61/939630061.db2.gz LWCSOPCJPHHUGO-RDJZCZTQSA-N 1 0 400.454 4.251 20 5 HIBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890515 939649453 /nfs/dbraw/zinc/64/94/53/939649453.db2.gz NFJAWBBBHUQUMB-IEBWSBKVSA-N 1 0 406.486 4.040 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000542142416 939728746 /nfs/dbraw/zinc/72/87/46/939728746.db2.gz MOPIVNDARFAEIR-HUUCEWRRSA-N 1 0 410.474 4.011 20 5 HIBDRO C[NH+](C)CCCOc1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000542214034 939759878 /nfs/dbraw/zinc/75/98/78/939759878.db2.gz KVIFXHIGSKEQOL-UHFFFAOYSA-N 1 0 423.922 4.310 20 5 HIBDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542314957 939797256 /nfs/dbraw/zinc/79/72/56/939797256.db2.gz ZJJTUKMWRAXYLG-PKTZIBPZSA-N 1 0 412.486 4.230 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542591357 939847035 /nfs/dbraw/zinc/84/70/35/939847035.db2.gz ZPZWSGMQKCHLRN-WMLDXEAASA-N 1 0 413.499 4.117 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000542631483 939850499 /nfs/dbraw/zinc/85/04/99/939850499.db2.gz DIFONTBICBUCHS-GHTZIAJQSA-N 1 0 415.465 4.223 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000542685359 939854044 /nfs/dbraw/zinc/85/40/44/939854044.db2.gz GPEIPEQSECORGK-CQSZACIVSA-N 1 0 414.815 4.339 20 5 HIBDRO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542943266 939882892 /nfs/dbraw/zinc/88/28/92/939882892.db2.gz HFAWDEOIKKKONM-MRXNPFEDSA-N 1 0 424.973 4.409 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000543238663 940004480 /nfs/dbraw/zinc/00/44/80/940004480.db2.gz LRYAPCHYFPKKJY-KRWDZBQOSA-N 1 0 424.906 4.097 20 5 HIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422436 940060067 /nfs/dbraw/zinc/06/00/67/940060067.db2.gz GKFPZAXLBWDYOG-MAODMQOUSA-N 1 0 402.516 4.484 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543469433 940074345 /nfs/dbraw/zinc/07/43/45/940074345.db2.gz ZDOZJSSBKRPKFE-HNNXBMFYSA-N 1 0 417.506 4.333 20 5 HIBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580792 940118107 /nfs/dbraw/zinc/11/81/07/940118107.db2.gz FJNWHOUTFLGMEK-LIRRHRJNSA-N 1 0 403.548 4.090 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)cc1 ZINC000543596315 940124974 /nfs/dbraw/zinc/12/49/74/940124974.db2.gz CNQUFYYLJBZADT-OALUTQOASA-N 1 0 402.516 4.075 20 5 HIBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000543623744 940138944 /nfs/dbraw/zinc/13/89/44/940138944.db2.gz JRIYACVINYEBAT-INIZCTEOSA-N 1 0 411.437 4.332 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000543644417 940147721 /nfs/dbraw/zinc/14/77/21/940147721.db2.gz JZADDGWDSDFIPW-UTKZUKDTSA-N 1 0 412.465 4.252 20 5 HIBDRO COc1cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000544167710 940342215 /nfs/dbraw/zinc/34/22/15/940342215.db2.gz OPMKVLVTWBLCOR-QZTJIDSGSA-N 1 0 414.502 4.477 20 5 HIBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)c21 ZINC000544394699 940410794 /nfs/dbraw/zinc/41/07/94/940410794.db2.gz QJENPHSUUDPXLQ-QHCPKHFHSA-N 1 0 403.486 4.031 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)CC1CC1 ZINC000544540961 940475371 /nfs/dbraw/zinc/47/53/71/940475371.db2.gz VRDZAOLDNXXEES-INIZCTEOSA-N 1 0 405.514 4.198 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)cc1OC ZINC000544564446 940480581 /nfs/dbraw/zinc/48/05/81/940480581.db2.gz GIXFKHLHPTWNET-IRXDYDNUSA-N 1 0 406.523 4.419 20 5 HIBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1 ZINC000544574203 940482536 /nfs/dbraw/zinc/48/25/36/940482536.db2.gz NCDWZCSFPFUYSI-NSHDSACASA-N 1 0 403.287 4.026 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000544625311 940493235 /nfs/dbraw/zinc/49/32/35/940493235.db2.gz ARTPNKXBPDQPPQ-UHFFFAOYSA-N 1 0 406.845 4.173 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000545009793 940533118 /nfs/dbraw/zinc/53/31/18/940533118.db2.gz WRHYKJUUJMDOQO-UHFFFAOYSA-N 1 0 400.410 4.172 20 5 HIBDRO CC(C)(C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000545827635 940618564 /nfs/dbraw/zinc/61/85/64/940618564.db2.gz JAWBTOBUMPJZJJ-UHFFFAOYSA-N 1 0 413.493 4.314 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000545862137 940642331 /nfs/dbraw/zinc/64/23/31/940642331.db2.gz DHFNYANIAHOXQZ-OAHLLOKOSA-N 1 0 401.482 4.257 20 5 HIBDRO O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccccc4C[NH+]4CCCC4)no3)cn2)cc1 ZINC000546234221 940738184 /nfs/dbraw/zinc/73/81/84/940738184.db2.gz AOPHEYJHCAZPJL-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000546563962 940854401 /nfs/dbraw/zinc/85/44/01/940854401.db2.gz LQDGXQUECCJJOG-INIZCTEOSA-N 1 0 413.493 4.353 20 5 HIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000547947690 941080058 /nfs/dbraw/zinc/08/00/58/941080058.db2.gz OZTSVMQKXLFNGZ-AWEZNQCLSA-N 1 0 410.243 4.176 20 5 HIBDRO C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000549173451 941168426 /nfs/dbraw/zinc/16/84/26/941168426.db2.gz XBMUVXLWJIQRBG-QHCPKHFHSA-N 1 0 423.538 4.427 20 5 HIBDRO Cn1cc(C[NH2+]Cc2csc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549178962 941168811 /nfs/dbraw/zinc/16/88/11/941168811.db2.gz MTQUJZNBBLPVHA-UHFFFAOYSA-N 1 0 407.293 4.109 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549424099 941188662 /nfs/dbraw/zinc/18/86/62/941188662.db2.gz KYVQSQHIPARZSF-GOSISDBHSA-N 1 0 407.392 4.181 20 5 HIBDRO COc1cc(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)ccc1[N+](=O)[O-] ZINC000550028693 941268830 /nfs/dbraw/zinc/26/88/30/941268830.db2.gz IRURHSAVBWUXHJ-UHFFFAOYSA-N 1 0 408.857 4.277 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000551274634 941441406 /nfs/dbraw/zinc/44/14/06/941441406.db2.gz SWTSQRDDODPOSN-LLGFUMIMSA-N 1 0 413.493 4.397 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC3)cc2[N+](=O)[O-])cc1 ZINC000551620551 941514031 /nfs/dbraw/zinc/51/40/31/941514031.db2.gz XXWBEZYEAQUCNQ-GCJKJVERSA-N 1 0 411.527 4.201 20 5 HIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000552058124 941575932 /nfs/dbraw/zinc/57/59/32/941575932.db2.gz WOHKCALJMFRVID-QKYXUNIQSA-N 1 0 417.893 4.128 20 5 HIBDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552067631 941578360 /nfs/dbraw/zinc/57/83/60/941578360.db2.gz SABQPIFUQKIKLI-AVRDEDQJSA-N 1 0 406.486 4.136 20 5 HIBDRO Cn1ccnc1[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068043 941578571 /nfs/dbraw/zinc/57/85/71/941578571.db2.gz GLHCUOGRIVDVRT-LADGPHEKSA-N 1 0 419.529 4.062 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000552203492 941601913 /nfs/dbraw/zinc/60/19/13/941601913.db2.gz PVVPWTXBJKEGHL-OAHLLOKOSA-N 1 0 423.473 4.239 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000552203491 941601947 /nfs/dbraw/zinc/60/19/47/941601947.db2.gz PVVPWTXBJKEGHL-HNNXBMFYSA-N 1 0 423.473 4.239 20 5 HIBDRO CCC[N@H+](C)[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000552241984 941611331 /nfs/dbraw/zinc/61/13/31/941611331.db2.gz KJDDGLGUUKXVRQ-LJQANCHMSA-N 1 0 405.882 4.070 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000552247444 941613376 /nfs/dbraw/zinc/61/33/76/941613376.db2.gz PLFKYZFLXNGGNE-JOCHJYFZSA-N 1 0 407.518 4.048 20 5 HIBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000553248542 941856392 /nfs/dbraw/zinc/85/63/92/941856392.db2.gz ZUGAAVYOHOAXIV-UHFFFAOYSA-N 1 0 403.895 4.329 20 5 HIBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000553791038 941969879 /nfs/dbraw/zinc/96/98/79/941969879.db2.gz QOARXFOHTNBPOW-HRAATJIYSA-N 1 0 411.527 4.445 20 5 HIBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000554070266 942028890 /nfs/dbraw/zinc/02/88/90/942028890.db2.gz ODPVXLNLUJEVFO-ROUUACIJSA-N 1 0 409.408 4.043 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC000555133498 942397672 /nfs/dbraw/zinc/39/76/72/942397672.db2.gz SXWUIYRWILTYEM-REWPJTCUSA-N 1 0 411.502 4.070 20 5 HIBDRO CSc1ccc([C@@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000555263028 942452791 /nfs/dbraw/zinc/45/27/91/942452791.db2.gz BWHIOCKKDPZXPV-HXUWFJFHSA-N 1 0 416.547 4.170 20 5 HIBDRO COc1ccc([C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[NH+]2CCCCC2)cc1 ZINC000557476914 943154765 /nfs/dbraw/zinc/15/47/65/943154765.db2.gz GYOQREMWJPRBKF-QGZVFWFLSA-N 1 0 413.503 4.247 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000557522337 943189950 /nfs/dbraw/zinc/18/99/50/943189950.db2.gz KBRSTBWERJMCBI-ZDUSSCGKSA-N 1 0 412.412 4.125 20 5 HIBDRO C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000557835354 943308165 /nfs/dbraw/zinc/30/81/65/943308165.db2.gz AMKNLHRQCNIBAU-GOSISDBHSA-N 1 0 422.529 4.153 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000557971712 943343608 /nfs/dbraw/zinc/34/36/08/943343608.db2.gz UJLHUYXULZNICJ-YLJYHZDGSA-N 1 0 416.909 4.131 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccccc1 ZINC000558409420 943551601 /nfs/dbraw/zinc/55/16/01/943551601.db2.gz UPRWQPHWPWGWGH-QGZVFWFLSA-N 1 0 409.408 4.427 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccccc1 ZINC000558409418 943551609 /nfs/dbraw/zinc/55/16/09/943551609.db2.gz UPRWQPHWPWGWGH-KRWDZBQOSA-N 1 0 409.408 4.427 20 5 HIBDRO Cn1ccnc1[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549906 944251372 /nfs/dbraw/zinc/25/13/72/944251372.db2.gz IOJXHSHDOMCYJH-VWNXMTODSA-N 1 0 419.529 4.062 20 5 HIBDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000564311440 945510364 /nfs/dbraw/zinc/51/03/64/945510364.db2.gz XIBSKNWSZSBSGT-FQEVSTJZSA-N 1 0 422.485 4.047 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000566026849 945976274 /nfs/dbraw/zinc/97/62/74/945976274.db2.gz JQBKVIFEIVSYMD-IBGZPJMESA-N 1 0 411.502 4.181 20 5 HIBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000567272834 946284510 /nfs/dbraw/zinc/28/45/10/946284510.db2.gz SGOJPZVWBGEPBM-KSEOMHKRSA-N 1 0 422.529 4.099 20 5 HIBDRO Cc1[nH+]ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1Br ZINC000568823019 946718437 /nfs/dbraw/zinc/71/84/37/946718437.db2.gz HMZPYDZNZBTPEN-UHFFFAOYSA-N 1 0 405.277 4.218 20 5 HIBDRO CC(C)N1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000569870992 947027069 /nfs/dbraw/zinc/02/70/69/947027069.db2.gz PCELMUSZTATOBP-GHTZIAJQSA-N 1 0 415.444 4.063 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571587625 947717380 /nfs/dbraw/zinc/71/73/80/947717380.db2.gz WEWVPVOHHUOBBM-RTWAWAEBSA-N 1 0 412.486 4.326 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000571724134 947765333 /nfs/dbraw/zinc/76/53/33/947765333.db2.gz WSNKGGDUGTZQIR-LLVKDONJSA-N 1 0 412.227 4.059 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000571962679 947823606 /nfs/dbraw/zinc/82/36/06/947823606.db2.gz HKDCYYUEQMUIRT-SFHVURJKSA-N 1 0 404.898 4.085 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)C1CC1 ZINC000571966678 947824000 /nfs/dbraw/zinc/82/40/00/947824000.db2.gz UFEJBDPTBHEJIQ-UHFFFAOYSA-N 1 0 406.486 4.033 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000574183948 948381027 /nfs/dbraw/zinc/38/10/27/948381027.db2.gz QSRAYMYOJOPGPA-INIZCTEOSA-N 1 0 405.564 4.433 20 5 HIBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000574372511 948427751 /nfs/dbraw/zinc/42/77/51/948427751.db2.gz GKXKMDRANXBKDN-QHCPKHFHSA-N 1 0 420.513 4.334 20 5 HIBDRO CSc1ccc([C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000574430739 948438208 /nfs/dbraw/zinc/43/82/08/948438208.db2.gz HXIOQSYFXOHPTJ-QGZVFWFLSA-N 1 0 407.923 4.311 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000574558109 948472006 /nfs/dbraw/zinc/47/20/06/948472006.db2.gz ALAAYHGUISUIJV-SJLPKXTDSA-N 1 0 422.428 4.257 20 5 HIBDRO C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574743583 948519523 /nfs/dbraw/zinc/51/95/23/948519523.db2.gz IHGKUAHJZNPIPO-FOIQADDNSA-N 1 0 401.894 4.305 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)cnc2Cl)c1 ZINC001164615417 719038290 /nfs/dbraw/zinc/03/82/90/719038290.db2.gz MGLWFUDKIJHCHP-UHFFFAOYSA-N 1 0 422.863 4.291 20 5 HIBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164619784 719069499 /nfs/dbraw/zinc/06/94/99/719069499.db2.gz COPRVYAQLBJOTO-OXQOHEQNSA-N 1 0 423.904 4.292 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC001164626143 719103302 /nfs/dbraw/zinc/10/33/02/719103302.db2.gz IGNMGVUPKKSGDD-WMZHIEFXSA-N 1 0 415.497 4.153 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)cc(C)c2[N+](=O)[O-])CC3)cs1 ZINC001164694085 719806620 /nfs/dbraw/zinc/80/66/20/719806620.db2.gz UOTCKLMRUCLPNT-UHFFFAOYSA-N 1 0 421.954 4.352 20 5 HIBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728287 720479969 /nfs/dbraw/zinc/47/99/69/720479969.db2.gz OYIYTEHZTCXLCX-QZTJIDSGSA-N 1 0 409.877 4.045 20 5 HIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953223 722016949 /nfs/dbraw/zinc/01/69/49/722016949.db2.gz UAMCZCKUOKLJKF-UHFFFAOYSA-N 1 0 422.316 4.184 20 5 HIBDRO C[N@H+](CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000435935478 861198170 /nfs/dbraw/zinc/19/81/70/861198170.db2.gz JLKJKCVLJHMKPF-UHFFFAOYSA-N 1 0 417.484 4.072 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007492067 845344779 /nfs/dbraw/zinc/34/47/79/845344779.db2.gz MYXPMQIQMWAPKW-UHFFFAOYSA-N 1 0 408.285 4.296 20 5 HIBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000436251336 861562241 /nfs/dbraw/zinc/56/22/41/861562241.db2.gz IGOBPNNFBVNXEG-UHFFFAOYSA-N 1 0 419.456 4.013 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850603 845430405 /nfs/dbraw/zinc/43/04/05/845430405.db2.gz AAZMWTRWHXEDHO-QGZVFWFLSA-N 1 0 413.543 4.378 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000008122164 845478414 /nfs/dbraw/zinc/47/84/14/845478414.db2.gz RZZRFUXZNVEURI-UHFFFAOYSA-N 1 0 414.531 4.090 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436292239 861598271 /nfs/dbraw/zinc/59/82/71/861598271.db2.gz BMRWPRPBLWCWQU-KURKYZTESA-N 1 0 405.564 4.236 20 5 HIBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436310027 861613929 /nfs/dbraw/zinc/61/39/29/861613929.db2.gz GKPDSBAKHRSXRA-UHFFFAOYSA-N 1 0 409.505 4.157 20 5 HIBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000014528526 845957289 /nfs/dbraw/zinc/95/72/89/845957289.db2.gz TXXVGOKEAFOIHF-UHFFFAOYSA-N 1 0 415.877 4.397 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025858742 847047230 /nfs/dbraw/zinc/04/72/30/847047230.db2.gz JQIPTDCXDSGSJF-IBGZPJMESA-N 1 0 405.882 4.070 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000026219217 847105361 /nfs/dbraw/zinc/10/53/61/847105361.db2.gz XOTXEARHLXALPV-UHFFFAOYSA-N 1 0 405.454 4.311 20 5 HIBDRO COc1ccc2cc(C[N@H+](C)CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2c1 ZINC000026259806 847115640 /nfs/dbraw/zinc/11/56/40/847115640.db2.gz HQJAJSITUIGSKM-UHFFFAOYSA-N 1 0 423.469 4.226 20 5 HIBDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026264103 847116717 /nfs/dbraw/zinc/11/67/17/847116717.db2.gz BDGVHQGXZDIMLA-HXUWFJFHSA-N 1 0 413.474 4.168 20 5 HIBDRO C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349434 847131115 /nfs/dbraw/zinc/13/11/15/847131115.db2.gz FOTUJWPXNFSLAH-JOCHJYFZSA-N 1 0 409.511 4.384 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@]3(O)CCC[C@@H](C(F)(F)F)C3)cs2)c1 ZINC000436410740 861761312 /nfs/dbraw/zinc/76/13/12/861761312.db2.gz LANSDUXKTLYJAD-DYVFJYSZSA-N 1 0 415.437 4.292 20 5 HIBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436417625 861772214 /nfs/dbraw/zinc/77/22/14/861772214.db2.gz ZZSXOHFPBGQUOF-UHFFFAOYSA-N 1 0 415.484 4.201 20 5 HIBDRO CC[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000029909781 847647827 /nfs/dbraw/zinc/64/78/27/847647827.db2.gz NAXHKGRLIPXNMR-QFBILLFUSA-N 1 0 413.543 4.029 20 5 HIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000030509838 847724540 /nfs/dbraw/zinc/72/45/40/847724540.db2.gz ATOKTWQHGDPDBW-RYUDHWBXSA-N 1 0 422.279 4.044 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)cccc1[N+](=O)[O-] ZINC000030511605 847725837 /nfs/dbraw/zinc/72/58/37/847725837.db2.gz QTTPWTPHSOWPDF-QGZVFWFLSA-N 1 0 423.469 4.330 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000031053760 847815188 /nfs/dbraw/zinc/81/51/88/847815188.db2.gz LEECGDJOEHYSAO-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000032730212 848069140 /nfs/dbraw/zinc/06/91/40/848069140.db2.gz TZXDWIYOKZYVBE-MSOLQXFVSA-N 1 0 410.518 4.200 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000043307170 848407330 /nfs/dbraw/zinc/40/73/30/848407330.db2.gz PPLIYNMRJPNYHB-HXUWFJFHSA-N 1 0 416.909 4.227 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000043307169 848407519 /nfs/dbraw/zinc/40/75/19/848407519.db2.gz PPLIYNMRJPNYHB-FQEVSTJZSA-N 1 0 416.909 4.227 20 5 HIBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133552 849435926 /nfs/dbraw/zinc/43/59/26/849435926.db2.gz PGXWCHJGIYSUNC-WIYYLYMNSA-N 1 0 408.458 4.245 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847949 849632995 /nfs/dbraw/zinc/63/29/95/849632995.db2.gz AVBJXDTUXLHSLQ-UHFFFAOYSA-N 1 0 412.309 4.188 20 5 HIBDRO COc1ccc(C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C2CC2)cc1 ZINC000052867096 849636027 /nfs/dbraw/zinc/63/60/27/849636027.db2.gz SKUNCUVWKTYMOM-HNNXBMFYSA-N 1 0 408.458 4.454 20 5 HIBDRO C[C@H](Nc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053477309 849718082 /nfs/dbraw/zinc/71/80/82/849718082.db2.gz VDIMLIQIEDLBHN-INIZCTEOSA-N 1 0 419.485 4.477 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000056332318 850324857 /nfs/dbraw/zinc/32/48/57/850324857.db2.gz QBUKFFXOBDCSJS-UHFFFAOYSA-N 1 0 408.502 4.086 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000058952494 850966509 /nfs/dbraw/zinc/96/65/09/850966509.db2.gz VQMWTXUTCHZASM-KRWDZBQOSA-N 1 0 413.543 4.378 20 5 HIBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437013480 862191904 /nfs/dbraw/zinc/19/19/04/862191904.db2.gz QRXLTHLEIHLENG-GOSISDBHSA-N 1 0 421.419 4.350 20 5 HIBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[NH+]1CCCC1 ZINC000059734040 851009526 /nfs/dbraw/zinc/00/95/26/851009526.db2.gz RAVBKDXZFJKHNO-OAQYLSRUSA-N 1 0 402.539 4.143 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000060371675 851080527 /nfs/dbraw/zinc/08/05/27/851080527.db2.gz FQIGIQCSGGOAKX-GOSISDBHSA-N 1 0 411.355 4.127 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CCNC(=O)C3CC3)cc2[N+](=O)[O-])c1 ZINC000060830823 851225141 /nfs/dbraw/zinc/22/51/41/851225141.db2.gz VFRXFJWYPKOXKI-UHFFFAOYSA-N 1 0 411.502 4.435 20 5 HIBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000437058716 862255335 /nfs/dbraw/zinc/25/53/35/862255335.db2.gz XPVWWGQYJOURRK-KRWDZBQOSA-N 1 0 409.511 4.404 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081026 851611509 /nfs/dbraw/zinc/61/15/09/851611509.db2.gz DWCVGCQZGHVJMW-QGZVFWFLSA-N 1 0 413.543 4.104 20 5 HIBDRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000064631579 851943625 /nfs/dbraw/zinc/94/36/25/851943625.db2.gz OMKACKAPSLMRPG-UHFFFAOYSA-N 1 0 411.502 4.392 20 5 HIBDRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000064631583 851943669 /nfs/dbraw/zinc/94/36/69/851943669.db2.gz HMSMFEBKLKYDRV-UHFFFAOYSA-N 1 0 411.502 4.392 20 5 HIBDRO CCc1cc(NC2CC[NH+](Cc3ccccn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914602 852019534 /nfs/dbraw/zinc/01/95/34/852019534.db2.gz YUKAVIDLXOAAJM-UHFFFAOYSA-N 1 0 418.501 4.086 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000065126710 852074209 /nfs/dbraw/zinc/07/42/09/852074209.db2.gz YKMMPZOFSBLZQW-QGZVFWFLSA-N 1 0 414.487 4.124 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)C1 ZINC000065867347 852291732 /nfs/dbraw/zinc/29/17/32/852291732.db2.gz VNGDQGQDNWXDSV-GOSISDBHSA-N 1 0 420.513 4.098 20 5 HIBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000069043205 852381955 /nfs/dbraw/zinc/38/19/55/852381955.db2.gz XPJHETTUPBTCTM-UHFFFAOYSA-N 1 0 418.925 4.178 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000071954933 852444898 /nfs/dbraw/zinc/44/48/98/852444898.db2.gz OVJPRYLSNDVWPI-KRWDZBQOSA-N 1 0 422.529 4.474 20 5 HIBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000072045831 852484731 /nfs/dbraw/zinc/48/47/31/852484731.db2.gz RQDSMXDKTGTTIZ-DHZHZOJOSA-N 1 0 421.419 4.217 20 5 HIBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000110102597 853059924 /nfs/dbraw/zinc/05/99/24/853059924.db2.gz LDPLCOGPYLEZOM-IBGZPJMESA-N 1 0 408.376 4.093 20 5 HIBDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000117336509 853353695 /nfs/dbraw/zinc/35/36/95/853353695.db2.gz VVEUPGDFYPJKFP-HXUWFJFHSA-N 1 0 415.921 4.451 20 5 HIBDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000117336512 853354430 /nfs/dbraw/zinc/35/44/30/853354430.db2.gz VVEUPGDFYPJKFP-FQEVSTJZSA-N 1 0 415.921 4.451 20 5 HIBDRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000140105996 853434497 /nfs/dbraw/zinc/43/44/97/853434497.db2.gz YNJKRPFAQWIPSL-HSZRJFAPSA-N 1 0 419.481 4.424 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000215862963 853838650 /nfs/dbraw/zinc/83/86/50/853838650.db2.gz YUAPUTWUHFXZNF-HSZRJFAPSA-N 1 0 414.465 4.271 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000236846845 853928760 /nfs/dbraw/zinc/92/87/60/853928760.db2.gz IDMQNTMBHZLTLE-UHFFFAOYSA-N 1 0 402.838 4.029 20 5 HIBDRO COCCN1CCC([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000237124833 853967778 /nfs/dbraw/zinc/96/77/78/853967778.db2.gz JESLEZCCAJETRF-UHFFFAOYSA-N 1 0 419.909 4.241 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)c2cn(C)nc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237141324 853971530 /nfs/dbraw/zinc/97/15/30/853971530.db2.gz CINOMQAZALZBHC-HNNXBMFYSA-N 1 0 410.474 4.075 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237243830 853989958 /nfs/dbraw/zinc/98/99/58/853989958.db2.gz VAXKKGYQLMJCOH-STQMWFEESA-N 1 0 408.442 4.308 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237383875 854019199 /nfs/dbraw/zinc/01/91/99/854019199.db2.gz ZZIAMBJXTQUFRG-BWAGFHJFSA-N 1 0 412.486 4.086 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C3CCN(c4ccccn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000237415396 854027746 /nfs/dbraw/zinc/02/77/46/854027746.db2.gz LKYSFYHISOSADT-UHFFFAOYSA-N 1 0 408.458 4.017 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3-n3ccnc3)o2)c([N+](=O)[O-])c1 ZINC000237418349 854028447 /nfs/dbraw/zinc/02/84/47/854028447.db2.gz ILDZPWQVTIDCOY-UHFFFAOYSA-N 1 0 404.426 4.339 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237441373 854033437 /nfs/dbraw/zinc/03/34/37/854033437.db2.gz ZXJGODPZPZWFDT-HOCLYGCPSA-N 1 0 410.392 4.438 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000237555556 854053216 /nfs/dbraw/zinc/05/32/16/854053216.db2.gz GYSWLXCKRJMVAT-ZDUSSCGKSA-N 1 0 405.882 4.433 20 5 HIBDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CC2 ZINC000237711979 854080968 /nfs/dbraw/zinc/08/09/68/854080968.db2.gz FKZWFCRPMMNQPP-HNNXBMFYSA-N 1 0 413.865 4.045 20 5 HIBDRO Cn1cc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237766000 854092912 /nfs/dbraw/zinc/09/29/12/854092912.db2.gz NECNAFICMNYGIG-CVDCTZTESA-N 1 0 406.486 4.253 20 5 HIBDRO Cc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000237774356 854095005 /nfs/dbraw/zinc/09/50/05/854095005.db2.gz QIMHWCLPTBHNCP-INIZCTEOSA-N 1 0 404.308 4.282 20 5 HIBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccs1 ZINC000237815686 854102338 /nfs/dbraw/zinc/10/23/38/854102338.db2.gz BWGLVCNZYAYJIA-UHFFFAOYSA-N 1 0 405.863 4.089 20 5 HIBDRO Cn1c(CCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)nc2ccccc21 ZINC000237849510 854107675 /nfs/dbraw/zinc/10/76/75/854107675.db2.gz JXBOKPHHFNXZJX-UHFFFAOYSA-N 1 0 407.499 4.327 20 5 HIBDRO Cn1cc(C[NH2+]CCOc2ccccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237918379 854118898 /nfs/dbraw/zinc/11/88/98/854118898.db2.gz XUNKGLGUBGUOFL-UHFFFAOYSA-N 1 0 420.391 4.183 20 5 HIBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000255944932 854226756 /nfs/dbraw/zinc/22/67/56/854226756.db2.gz VEIRBEQANRFEMY-UHFFFAOYSA-N 1 0 405.882 4.358 20 5 HIBDRO COc1cc(C(=O)N[C@H](C)CC[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261416994 854255263 /nfs/dbraw/zinc/25/52/63/854255263.db2.gz NALACSBLVZABRC-CYBMUJFWSA-N 1 0 421.881 4.119 20 5 HIBDRO CC1CC[NH+]([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000301081760 854290392 /nfs/dbraw/zinc/29/03/92/854290392.db2.gz SYTQJOXXTXRMBG-GOSISDBHSA-N 1 0 413.503 4.190 20 5 HIBDRO O=C(NC1CC1)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301230839 854335076 /nfs/dbraw/zinc/33/50/76/854335076.db2.gz FHRWRGBOMWROII-SEJPIABJSA-N 1 0 420.513 4.095 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCOCC1)c1ccccc1 ZINC000301266419 854343097 /nfs/dbraw/zinc/34/30/97/854343097.db2.gz IGFFJQUWRNISAD-KRWDZBQOSA-N 1 0 406.486 4.455 20 5 HIBDRO CC(C)n1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000301270364 854345301 /nfs/dbraw/zinc/34/53/01/854345301.db2.gz GUVJUVZUVMRZDV-NSHDSACASA-N 1 0 415.441 4.404 20 5 HIBDRO CC1CC[NH+]([C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c2ccccc2)CC1 ZINC000301347571 854366523 /nfs/dbraw/zinc/36/65/23/854366523.db2.gz HRNCJRRJAHAKGF-QFIPXVFZSA-N 1 0 424.501 4.437 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC1CC[NH+](C2CCCC2)CC1 ZINC000301518117 854411508 /nfs/dbraw/zinc/41/15/08/854411508.db2.gz FYEIRUWNRVHOFZ-UHFFFAOYSA-N 1 0 402.373 4.341 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)[C@H]1c1cccs1 ZINC000301523902 854412467 /nfs/dbraw/zinc/41/24/67/854412467.db2.gz IDFKZTQHGGECDA-ABAIWWIYSA-N 1 0 411.325 4.309 20 5 HIBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(Br)c1 ZINC000301558027 854420128 /nfs/dbraw/zinc/42/01/28/854420128.db2.gz SUQAUIFZZYOOJG-GFCCVEGCSA-N 1 0 411.325 4.138 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301596539 854426280 /nfs/dbraw/zinc/42/62/80/854426280.db2.gz SLHQHILXVLNSHH-GCJKJVERSA-N 1 0 422.529 4.153 20 5 HIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301684636 854444786 /nfs/dbraw/zinc/44/47/86/854444786.db2.gz KXDRHXPCJSBNSX-UHFFFAOYSA-N 1 0 419.323 4.101 20 5 HIBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301687301 854445536 /nfs/dbraw/zinc/44/55/36/854445536.db2.gz MGDUKLBUQVRRNB-LBPRGKRZSA-N 1 0 411.325 4.138 20 5 HIBDRO CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301763382 854461438 /nfs/dbraw/zinc/46/14/38/854461438.db2.gz GNRJSVPWNVTYSC-LAUBAEHRSA-N 1 0 407.518 4.067 20 5 HIBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)cc1C(F)(F)F ZINC000301824594 854472054 /nfs/dbraw/zinc/47/20/54/854472054.db2.gz LXWDVRWDGUDEFG-SNVBAGLBSA-N 1 0 413.425 4.158 20 5 HIBDRO Cc1ccc(NC(=O)C2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)nc1 ZINC000302132865 854535083 /nfs/dbraw/zinc/53/50/83/854535083.db2.gz CJWPUSNXLFZYKC-UHFFFAOYSA-N 1 0 405.458 4.010 20 5 HIBDRO Cc1cc(N2CCC(C(=O)N3CCc4ccccc43)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302187269 854546204 /nfs/dbraw/zinc/54/62/04/854546204.db2.gz PWVUFPQCHDJOBY-UHFFFAOYSA-N 1 0 416.481 4.257 20 5 HIBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000303010953 854722143 /nfs/dbraw/zinc/72/21/43/854722143.db2.gz MQXYWLQJHAAUDC-UHFFFAOYSA-N 1 0 424.328 4.425 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 ZINC000303232077 854828646 /nfs/dbraw/zinc/82/86/46/854828646.db2.gz YUZQXDXGHQRWRN-UHFFFAOYSA-N 1 0 417.531 4.097 20 5 HIBDRO CCC(CC)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH2+][C@@H](C)c1ccccc1 ZINC000303478457 854974102 /nfs/dbraw/zinc/97/41/02/854974102.db2.gz PLFNQCWZBGMTEV-HNNXBMFYSA-N 1 0 409.490 4.111 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000303630728 855089276 /nfs/dbraw/zinc/08/92/76/855089276.db2.gz FMIXOYAIQDCJHY-SFHVURJKSA-N 1 0 422.529 4.150 20 5 HIBDRO CN1CCC(CNC(=O)c2cc3ccccc3c3cccnc23)([NH+]2CCCCC2)CC1 ZINC000303938529 855304839 /nfs/dbraw/zinc/30/48/39/855304839.db2.gz DKZAIODQLBFLLW-UHFFFAOYSA-N 1 0 416.569 4.068 20 5 HIBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311045075 855368410 /nfs/dbraw/zinc/36/84/10/855368410.db2.gz FSKSSNVCJRDVCD-HIFRSBDPSA-N 1 0 405.296 4.075 20 5 HIBDRO C[N@H+](CCc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1)C1CC1 ZINC000409576395 855548816 /nfs/dbraw/zinc/54/88/16/855548816.db2.gz NKHCAZIAXXEYCG-UHFFFAOYSA-N 1 0 424.320 4.308 20 5 HIBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000426545803 856343038 /nfs/dbraw/zinc/34/30/38/856343038.db2.gz RZXBKECBKUSJBV-OAHLLOKOSA-N 1 0 419.909 4.193 20 5 HIBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427213813 856715735 /nfs/dbraw/zinc/71/57/35/856715735.db2.gz YDYNBJYSFQVVGQ-SFHVURJKSA-N 1 0 411.502 4.168 20 5 HIBDRO COc1cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428556437 857265314 /nfs/dbraw/zinc/26/53/14/857265314.db2.gz FXNNSSHXNWHMNU-IBGZPJMESA-N 1 0 420.465 4.145 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000429422724 857658883 /nfs/dbraw/zinc/65/88/83/857658883.db2.gz ZZKCFKCWAZHMNE-HOCLYGCPSA-N 1 0 407.308 4.168 20 5 HIBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000429426719 857661207 /nfs/dbraw/zinc/66/12/07/857661207.db2.gz NWHZEOSDFQEDAB-YJBOKZPZSA-N 1 0 422.934 4.153 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000429861601 857914787 /nfs/dbraw/zinc/91/47/87/857914787.db2.gz WXMSHJVIXKELFF-OAQYLSRUSA-N 1 0 413.518 4.080 20 5 HIBDRO Cc1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)nc(N2CCCC2)n1 ZINC000430135368 858048888 /nfs/dbraw/zinc/04/88/88/858048888.db2.gz FXMACRWFCKTKQU-UHFFFAOYSA-N 1 0 409.515 4.312 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000430666837 858258737 /nfs/dbraw/zinc/25/87/37/858258737.db2.gz ZQGUOCIMUMTXSC-RHSMWYFYSA-N 1 0 421.419 4.397 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430769525 858297732 /nfs/dbraw/zinc/29/77/32/858297732.db2.gz WCJHESZNLBTAEF-ZOCZFRKYSA-N 1 0 402.516 4.482 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000430829113 858321302 /nfs/dbraw/zinc/32/13/02/858321302.db2.gz XKUBQIZWQOKUGS-UGKGYDQZSA-N 1 0 419.569 4.172 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000431022318 858406546 /nfs/dbraw/zinc/40/65/46/858406546.db2.gz NHTNZOUHCZOLNW-CYBMUJFWSA-N 1 0 420.307 4.217 20 5 HIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000431098768 858445754 /nfs/dbraw/zinc/44/57/54/858445754.db2.gz DDUOJYDPBGDILG-UHFFFAOYSA-N 1 0 419.485 4.152 20 5 HIBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)c21 ZINC000431488866 858640970 /nfs/dbraw/zinc/64/09/70/858640970.db2.gz RECCMICGFVRMTL-UHFFFAOYSA-N 1 0 403.486 4.031 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2)cc1 ZINC000431506905 858648753 /nfs/dbraw/zinc/64/87/53/858648753.db2.gz JVZKAPYXRYPJKX-UHFFFAOYSA-N 1 0 419.485 4.137 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431945869 858882134 /nfs/dbraw/zinc/88/21/34/858882134.db2.gz LFZPHWZFADGZNU-HUUCEWRRSA-N 1 0 424.339 4.084 20 5 HIBDRO CCNc1ccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000432039894 858944345 /nfs/dbraw/zinc/94/43/45/858944345.db2.gz MGPMYESZAMHPGG-UHFFFAOYSA-N 1 0 422.529 4.155 20 5 HIBDRO CCOc1cc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000433047280 859498490 /nfs/dbraw/zinc/49/84/90/859498490.db2.gz WSEZDLDWOJKQDD-APWZRJJASA-N 1 0 416.522 4.198 20 5 HIBDRO C[C@H]1CN(Cc2cccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168084 859550637 /nfs/dbraw/zinc/55/06/37/859550637.db2.gz LHHPJPXRXQJSJH-SBUREZEXSA-N 1 0 409.530 4.328 20 5 HIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433228346 859579196 /nfs/dbraw/zinc/57/91/96/859579196.db2.gz OVEXQADZLREZIL-UZLBHIALSA-N 1 0 421.476 4.319 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433241991 859586255 /nfs/dbraw/zinc/58/62/55/859586255.db2.gz FPTUUKCSEXFFJV-JOCHJYFZSA-N 1 0 407.514 4.459 20 5 HIBDRO COc1ccc([C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)N(C)C)cc1OC ZINC000433287859 859618142 /nfs/dbraw/zinc/61/81/42/859618142.db2.gz QACWHJBTXMZWRX-UXHICEINSA-N 1 0 413.518 4.227 20 5 HIBDRO CCC(CC)(CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000433746436 859871903 /nfs/dbraw/zinc/87/19/03/859871903.db2.gz FTQPXSFGRCZPKG-HNNXBMFYSA-N 1 0 401.511 4.081 20 5 HIBDRO Cc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435292325 860722028 /nfs/dbraw/zinc/72/20/28/860722028.db2.gz XSMCYZMXVKXVIH-LJQANCHMSA-N 1 0 419.485 4.107 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000437837488 863191980 /nfs/dbraw/zinc/19/19/80/863191980.db2.gz IFTGZXMDEKKESQ-SFHVURJKSA-N 1 0 403.526 4.208 20 5 HIBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000438567869 864000400 /nfs/dbraw/zinc/00/04/00/864000400.db2.gz OBJNXTLBUMGZDX-UHFFFAOYSA-N 1 0 403.457 4.177 20 5 HIBDRO CN(Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000438734669 864220408 /nfs/dbraw/zinc/22/04/08/864220408.db2.gz RPCIJKSGDQVTMD-UHFFFAOYSA-N 1 0 407.474 4.267 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000439155386 864586008 /nfs/dbraw/zinc/58/60/08/864586008.db2.gz PMMMBFLSTRMZQP-CRAIPNDOSA-N 1 0 401.894 4.197 20 5 HIBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000439622722 864947694 /nfs/dbraw/zinc/94/76/94/864947694.db2.gz FILUSYJTDOXGBN-UHFFFAOYSA-N 1 0 405.882 4.453 20 5 HIBDRO COc1cccc(NC(=O)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000467970578 881827936 /nfs/dbraw/zinc/82/79/36/881827936.db2.gz QMEWKZRTRIFRAH-JOCHJYFZSA-N 1 0 405.454 4.116 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467993453 881839391 /nfs/dbraw/zinc/83/93/91/881839391.db2.gz IDXOHFRCNDQRFI-AWEZNQCLSA-N 1 0 404.898 4.177 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000439878839 865189529 /nfs/dbraw/zinc/18/95/29/865189529.db2.gz DDJBMPNZMUWOIE-UHFFFAOYSA-N 1 0 400.479 4.155 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000439884859 865196543 /nfs/dbraw/zinc/19/65/43/865196543.db2.gz XDWIBPWGAIOVEC-AEFFLSMTSA-N 1 0 412.490 4.168 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000439887945 865200733 /nfs/dbraw/zinc/20/07/33/865200733.db2.gz MDFZJLOTXKBOSJ-KRWDZBQOSA-N 1 0 404.511 4.113 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000439911689 865219145 /nfs/dbraw/zinc/21/91/45/865219145.db2.gz JEJGJCJVMQLXPO-YQQQUEKLSA-N 1 0 424.501 4.311 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCCO)Cc3cccc(Cl)c3)o2)c1 ZINC000441084871 866179432 /nfs/dbraw/zinc/17/94/32/866179432.db2.gz AVYBTUWWOSHZDV-UHFFFAOYSA-N 1 0 415.877 4.330 20 5 HIBDRO Cc1ccccc1-c1ccc(C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)s1 ZINC000441532197 866607950 /nfs/dbraw/zinc/60/79/50/866607950.db2.gz GICCPXDSOYXTJM-SFHVURJKSA-N 1 0 414.531 4.100 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000442771889 867671103 /nfs/dbraw/zinc/67/11/03/867671103.db2.gz UXUXDKPYMBYRIA-UHFFFAOYSA-N 1 0 409.408 4.471 20 5 HIBDRO C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000443221779 867880596 /nfs/dbraw/zinc/88/05/96/867880596.db2.gz HHIQKJISSGUATO-UTUOFQBUSA-N 1 0 409.284 4.265 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443890395 868428240 /nfs/dbraw/zinc/42/82/40/868428240.db2.gz AAJWQHPHLBKKPX-HNNXBMFYSA-N 1 0 421.419 4.350 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443957781 868492262 /nfs/dbraw/zinc/49/22/62/868492262.db2.gz LQTDPNNVPVUGJY-UHFFFAOYSA-N 1 0 414.506 4.254 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000444003751 868524455 /nfs/dbraw/zinc/52/44/55/868524455.db2.gz JPTFCOIYLQAJDG-UHFFFAOYSA-N 1 0 413.521 4.452 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)CC(C)C ZINC000444008437 868530269 /nfs/dbraw/zinc/53/02/69/868530269.db2.gz IPDZXHLLZKMYOY-MRXNPFEDSA-N 1 0 411.521 4.307 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(OCC[NH+](C)C)c1 ZINC000444083260 868608608 /nfs/dbraw/zinc/60/86/08/868608608.db2.gz BIGBDRJSIOPQMM-UHFFFAOYSA-N 1 0 415.493 4.182 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4ccc(Br)cc4)CCC3)nc2c1 ZINC000444653364 868932848 /nfs/dbraw/zinc/93/28/48/868932848.db2.gz WBLJHOXAWUCEOH-UHFFFAOYSA-N 1 0 401.264 4.403 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000444700857 868964157 /nfs/dbraw/zinc/96/41/57/868964157.db2.gz GECJSCFNTNSHCB-INIZCTEOSA-N 1 0 405.454 4.124 20 5 HIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000444754342 868987372 /nfs/dbraw/zinc/98/73/72/868987372.db2.gz ABDCELXYRSVHEV-JTQLQIEISA-N 1 0 401.282 4.157 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000444760982 868989945 /nfs/dbraw/zinc/98/99/45/868989945.db2.gz VJVKCJBRMFIPIE-NSHDSACASA-N 1 0 412.309 4.407 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000444895226 869083262 /nfs/dbraw/zinc/08/32/62/869083262.db2.gz KAVZBRBWXHHHFS-FUHWJXTLSA-N 1 0 412.490 4.120 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1)CC(C)C ZINC000444899830 869086855 /nfs/dbraw/zinc/08/68/55/869086855.db2.gz IFVZVLCDCLGFFU-UHFFFAOYSA-N 1 0 406.527 4.215 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444998296 869152904 /nfs/dbraw/zinc/15/29/04/869152904.db2.gz RFNXBGRBZFEUGS-UHFFFAOYSA-N 1 0 403.526 4.208 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445172309 869258048 /nfs/dbraw/zinc/25/80/48/869258048.db2.gz KCEBHXOAYBUIEL-KSZLIROESA-N 1 0 403.526 4.159 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000447517317 871385639 /nfs/dbraw/zinc/38/56/39/871385639.db2.gz KLKYOOCGMCKIRB-UXHICEINSA-N 1 0 417.941 4.183 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000447517321 871386279 /nfs/dbraw/zinc/38/62/79/871386279.db2.gz KLKYOOCGMCKIRB-WOJBJXKFSA-N 1 0 417.941 4.183 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccc(F)c(Br)c2)n1 ZINC000447533303 871398758 /nfs/dbraw/zinc/39/87/58/871398758.db2.gz XKXKYINOTSALQL-CVEARBPZSA-N 1 0 411.275 4.009 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)n1 ZINC000447537456 871400785 /nfs/dbraw/zinc/40/07/85/871400785.db2.gz WBWYNQFEGOWSTK-UXHICEINSA-N 1 0 411.437 4.391 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)n1 ZINC000447564359 871457091 /nfs/dbraw/zinc/45/70/91/871457091.db2.gz WTSMMOYUIBMYJL-OALUTQOASA-N 1 0 411.437 4.391 20 5 HIBDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1OC(F)F ZINC000447579659 871481687 /nfs/dbraw/zinc/48/16/87/871481687.db2.gz LDJUVPZCAKRDIA-HUUCEWRRSA-N 1 0 410.421 4.065 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCc2nc(-c3ccncc3)cs2)n1 ZINC000447583478 871490631 /nfs/dbraw/zinc/49/06/31/871490631.db2.gz BNLDHSMFGLNCMM-WMZOPIPTSA-N 1 0 412.519 4.016 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2csc(CCc3ccccc3)n2)n1 ZINC000447589088 871494507 /nfs/dbraw/zinc/49/45/07/871494507.db2.gz WWHDNKMMKYYAEP-RBUKOAKNSA-N 1 0 411.531 4.307 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCN1CCc2sccc2C1 ZINC000447693282 871629135 /nfs/dbraw/zinc/62/91/35/871629135.db2.gz LJCAEAUTWIMIPN-UHFFFAOYSA-N 1 0 422.379 4.176 20 5 HIBDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357149 872304347 /nfs/dbraw/zinc/30/43/47/872304347.db2.gz VVQVZWYJWKWQOU-JZKQVHKSSA-N 1 0 406.866 4.277 20 5 HIBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448357287 872305158 /nfs/dbraw/zinc/30/51/58/872305158.db2.gz WGGVWVFTNPNLRF-DYESRHJHSA-N 1 0 414.502 4.308 20 5 HIBDRO COc1cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448357290 872306423 /nfs/dbraw/zinc/30/64/23/872306423.db2.gz WGGVWVFTNPNLRF-UWJYYQICSA-N 1 0 414.502 4.308 20 5 HIBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448362028 872310146 /nfs/dbraw/zinc/31/01/46/872310146.db2.gz ZDBNQPSUNPFFIA-DYESRHJHSA-N 1 0 414.502 4.308 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000468595624 882689372 /nfs/dbraw/zinc/68/93/72/882689372.db2.gz AISLRYJBMWQYNB-LSSBLYJVSA-N 1 0 407.449 4.000 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000468636551 882770517 /nfs/dbraw/zinc/77/05/17/882770517.db2.gz CSBCXKOLEXPGLU-QKAYDNCFSA-N 1 0 410.392 4.046 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000468652742 882785995 /nfs/dbraw/zinc/78/59/95/882785995.db2.gz KBTPVYVIFMFHSF-JBXOJTMHSA-N 1 0 403.429 4.468 20 5 HIBDRO CCC(CC)(CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH2+][C@H](C)c1ccccc1 ZINC000468700244 882820684 /nfs/dbraw/zinc/82/06/84/882820684.db2.gz PVHVVZYVSJLPNV-MRXNPFEDSA-N 1 0 419.547 4.320 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000461466905 874523928 /nfs/dbraw/zinc/52/39/28/874523928.db2.gz LEYAFLFIDQZBTK-IBGZPJMESA-N 1 0 411.502 4.026 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462616199 875727882 /nfs/dbraw/zinc/72/78/82/875727882.db2.gz LGHMZHVGIGJPQL-NRFANRHFSA-N 1 0 409.530 4.287 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000462619826 875731295 /nfs/dbraw/zinc/73/12/95/875731295.db2.gz NZEZLNIFTSHMAD-LQWHRVPQSA-N 1 0 415.559 4.424 20 5 HIBDRO 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 875752200 /nfs/dbraw/zinc/75/22/00/875752200.db2.gz OFHRLTOPBWMSRM-PDXXHEQOSA-N 1 0 423.557 4.436 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000462931630 875959075 /nfs/dbraw/zinc/95/90/75/875959075.db2.gz GZCJDGDTPDMSSA-HXUWFJFHSA-N 1 0 421.541 4.213 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000462993591 876008533 /nfs/dbraw/zinc/00/85/33/876008533.db2.gz SWCWZQXXYGORQL-HMXCVIKNSA-N 1 0 401.551 4.277 20 5 HIBDRO Cc1cc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463062942 876091127 /nfs/dbraw/zinc/09/11/27/876091127.db2.gz DCKMPRNVUUADAZ-FQEVSTJZSA-N 1 0 417.513 4.319 20 5 HIBDRO Cc1cc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463062943 876091708 /nfs/dbraw/zinc/09/17/08/876091708.db2.gz DCKMPRNVUUADAZ-HXUWFJFHSA-N 1 0 417.513 4.319 20 5 HIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)cccc1[N+](=O)[O-] ZINC000463363113 876418207 /nfs/dbraw/zinc/41/82/07/876418207.db2.gz WHKFKRNIYCKVKR-AWEZNQCLSA-N 1 0 423.307 4.278 20 5 HIBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000463482977 876541010 /nfs/dbraw/zinc/54/10/10/876541010.db2.gz DUIQBAFSIRRJBH-OAHLLOKOSA-N 1 0 413.440 4.342 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000463976968 877105339 /nfs/dbraw/zinc/10/53/39/877105339.db2.gz PNCOWNLWOAEEFQ-UHFFFAOYSA-N 1 0 411.506 4.377 20 5 HIBDRO CC1CC[NH+](CCc2cccc(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)c2)CC1 ZINC000469034795 883104679 /nfs/dbraw/zinc/10/46/79/883104679.db2.gz PQDQVAYTZIQGHU-UHFFFAOYSA-N 1 0 417.531 4.016 20 5 HIBDRO COc1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000464100460 877256310 /nfs/dbraw/zinc/25/63/10/877256310.db2.gz ULMQVAOTGUFNCL-UHFFFAOYSA-N 1 0 401.482 4.087 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[NH+](C)C ZINC000464406611 877609073 /nfs/dbraw/zinc/60/90/73/877609073.db2.gz OFIQSEXXVSHVMS-SCLBCKFNSA-N 1 0 409.408 4.343 20 5 HIBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1Cl ZINC000464782776 878029307 /nfs/dbraw/zinc/02/93/07/878029307.db2.gz ZZQWQAMMOGZBMA-UHFFFAOYSA-N 1 0 403.866 4.120 20 5 HIBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464830922 878086669 /nfs/dbraw/zinc/08/66/69/878086669.db2.gz BPWUICSTXCSPHR-FQEVSTJZSA-N 1 0 420.513 4.246 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466556965 880330897 /nfs/dbraw/zinc/33/08/97/880330897.db2.gz SOWSOCCCCUYITQ-UHFFFAOYSA-N 1 0 404.898 4.088 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 ZINC000466832157 880601977 /nfs/dbraw/zinc/60/19/77/880601977.db2.gz BTMMXMNSFYSNTG-QGZVFWFLSA-N 1 0 419.934 4.469 20 5 HIBDRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000503563955 912640917 /nfs/dbraw/zinc/64/09/17/912640917.db2.gz XKXIZOZLXJSQIP-UHFFFAOYSA-N 1 0 416.444 4.021 20 5 HIBDRO COc1cc(C[N@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000467390017 881171277 /nfs/dbraw/zinc/17/12/77/881171277.db2.gz UBYVVPBYTQNDAA-LJQANCHMSA-N 1 0 400.475 4.183 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000467451358 881255001 /nfs/dbraw/zinc/25/50/01/881255001.db2.gz UDTYZXFKWOWNHQ-MAUKXSAKSA-N 1 0 416.909 4.101 20 5 HIBDRO CCOc1cc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c([N+](=O)[O-])cc1OC ZINC000469946434 884142787 /nfs/dbraw/zinc/14/27/87/884142787.db2.gz CWSUVOIJVSJTIL-UHFFFAOYSA-N 1 0 401.463 4.096 20 5 HIBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000470122465 884383993 /nfs/dbraw/zinc/38/39/93/884383993.db2.gz MJZPCAUTUDYUFF-UTKZUKDTSA-N 1 0 412.465 4.252 20 5 HIBDRO CC(C)[NH+](CCCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(C)C ZINC000470231573 884557478 /nfs/dbraw/zinc/55/74/78/884557478.db2.gz HEAYERSEMDXQDX-UHFFFAOYSA-N 1 0 404.555 4.070 20 5 HIBDRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000503933610 912870298 /nfs/dbraw/zinc/87/02/98/912870298.db2.gz XFHWGUYKPRIGKG-PKOBYXMFSA-N 1 0 406.486 4.352 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000470597681 885021962 /nfs/dbraw/zinc/02/19/62/885021962.db2.gz BSIKMHNNHIAXBG-HNNXBMFYSA-N 1 0 415.799 4.300 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C[N@H+](C)CC4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000470868757 885357880 /nfs/dbraw/zinc/35/78/80/885357880.db2.gz RGLXNXBYUUBSNP-LJQANCHMSA-N 1 0 422.529 4.324 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000471456113 886131575 /nfs/dbraw/zinc/13/15/75/886131575.db2.gz XIMWHGFRFFZXQZ-IAGOWNOFSA-N 1 0 401.532 4.102 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000472516206 887385477 /nfs/dbraw/zinc/38/54/77/887385477.db2.gz LALGLGRLIUIIOA-JIPZTSHUSA-N 1 0 413.543 4.203 20 5 HIBDRO COc1cccc(C=C2CC[NH+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000473024908 887850118 /nfs/dbraw/zinc/85/01/18/887850118.db2.gz UQBKMBHZPPRWIP-UHFFFAOYSA-N 1 0 423.469 4.081 20 5 HIBDRO Cc1c(NC(=O)CC[N@H+]2CC=C(c3c(F)cccc3F)CC2)cccc1[N+](=O)[O-] ZINC000473156964 887936055 /nfs/dbraw/zinc/93/60/55/887936055.db2.gz DVSKAJOTBZVWOI-UHFFFAOYSA-N 1 0 401.413 4.299 20 5 HIBDRO Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000473783316 888590381 /nfs/dbraw/zinc/59/03/81/888590381.db2.gz KVVHGBNKUVOENG-HSZRJFAPSA-N 1 0 408.502 4.423 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473823268 888654703 /nfs/dbraw/zinc/65/47/03/888654703.db2.gz LEWWNFRVIMLQSV-IAGOWNOFSA-N 1 0 410.518 4.490 20 5 HIBDRO CC(C)c1ccc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473921910 888802535 /nfs/dbraw/zinc/80/25/35/888802535.db2.gz KNFDNYKEAKBNPO-ROUUACIJSA-N 1 0 417.550 4.070 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccccc2Cl)C(C)C)cc1[N+](=O)[O-] ZINC000474350185 889228159 /nfs/dbraw/zinc/22/81/59/889228159.db2.gz BGBSLZDUADVVSY-HXUWFJFHSA-N 1 0 406.866 4.287 20 5 HIBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000475328324 890248652 /nfs/dbraw/zinc/24/86/52/890248652.db2.gz IFEFINFABJQGJZ-GOSISDBHSA-N 1 0 409.280 4.354 20 5 HIBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000475428479 890347607 /nfs/dbraw/zinc/34/76/07/890347607.db2.gz LGJXTXYFJQFUOB-KRWDZBQOSA-N 1 0 417.893 4.389 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N1Cc2ccccc2C1 ZINC000475495062 890402391 /nfs/dbraw/zinc/40/23/91/890402391.db2.gz RGPJUUVTIPMUMN-HNNXBMFYSA-N 1 0 407.495 4.344 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000475627344 890564782 /nfs/dbraw/zinc/56/47/82/890564782.db2.gz QVNXCLAKLQMCQL-VFNWGFHPSA-N 1 0 418.877 4.420 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475692098 890631590 /nfs/dbraw/zinc/63/15/90/890631590.db2.gz GAXMBMUZTROJRE-NEPJUHHUSA-N 1 0 401.394 4.167 20 5 HIBDRO COC(=O)COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475711178 890649891 /nfs/dbraw/zinc/64/98/91/890649891.db2.gz VDZXZIDLTQTESK-KRWDZBQOSA-N 1 0 402.447 4.165 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000476008684 890936806 /nfs/dbraw/zinc/93/68/06/890936806.db2.gz KBTAVXGQLLVMCF-UHFFFAOYSA-N 1 0 402.539 4.312 20 5 HIBDRO C[N@H+](Cc1ccccc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000476490740 891398888 /nfs/dbraw/zinc/39/88/88/891398888.db2.gz OYCJOFPKVVDJAM-UHFFFAOYSA-N 1 0 422.529 4.361 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000476984855 891909873 /nfs/dbraw/zinc/90/98/73/891909873.db2.gz NCSHXYKMZJWWRF-QGZVFWFLSA-N 1 0 413.522 4.121 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000477158416 892081032 /nfs/dbraw/zinc/08/10/32/892081032.db2.gz DFEPAGANKIXDND-QHCPKHFHSA-N 1 0 408.502 4.342 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911112 913644583 /nfs/dbraw/zinc/64/45/83/913644583.db2.gz AOZIVSWWPUMHAW-MSOLQXFVSA-N 1 0 413.518 4.065 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504911312 913644715 /nfs/dbraw/zinc/64/47/15/913644715.db2.gz DPLRCILOLNPMGE-NQIIRXRSSA-N 1 0 413.518 4.026 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1N1CCOCC1 ZINC000504911737 913645344 /nfs/dbraw/zinc/64/53/44/913645344.db2.gz KMINAVGSOFJVEB-GOSISDBHSA-N 1 0 401.532 4.092 20 5 HIBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000477950414 893040033 /nfs/dbraw/zinc/04/00/33/893040033.db2.gz ZOCVOWIORBKMGG-UHFFFAOYSA-N 1 0 411.527 4.493 20 5 HIBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000478197647 893358604 /nfs/dbraw/zinc/35/86/04/893358604.db2.gz NUCXTEIDYSKCLI-UHFFFAOYSA-N 1 0 400.454 4.161 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c(F)c1 ZINC000478248234 893420156 /nfs/dbraw/zinc/42/01/56/893420156.db2.gz AUWPOCNSGSWQCG-GFCCVEGCSA-N 1 0 418.778 4.170 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C1 ZINC000478535299 893836499 /nfs/dbraw/zinc/83/64/99/893836499.db2.gz LSMOGMRAXIFPPQ-INIZCTEOSA-N 1 0 406.486 4.238 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000478624099 893881447 /nfs/dbraw/zinc/88/14/47/893881447.db2.gz UFYWDNXKIGCZEH-QGZVFWFLSA-N 1 0 414.550 4.286 20 5 HIBDRO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000479629947 894897243 /nfs/dbraw/zinc/89/72/43/894897243.db2.gz VYOLIXHNJOCPAS-XLIONFOSSA-N 1 0 411.502 4.209 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)c(F)c1 ZINC000479893962 895241679 /nfs/dbraw/zinc/24/16/79/895241679.db2.gz SEHSHWSTJSKYTH-UHFFFAOYSA-N 1 0 423.282 4.334 20 5 HIBDRO Cc1c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480073866 895424296 /nfs/dbraw/zinc/42/42/96/895424296.db2.gz XXIAAPNRFBBGRQ-GGAORHGYSA-N 1 0 422.529 4.099 20 5 HIBDRO CCC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000481551123 896918398 /nfs/dbraw/zinc/91/83/98/896918398.db2.gz XZZQNPYRSCEZKG-FCHUYYIVSA-N 1 0 411.502 4.135 20 5 HIBDRO Cc1cccc(CC[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 ZINC000481614798 896996051 /nfs/dbraw/zinc/99/60/51/896996051.db2.gz QVWDRVPFBNGSOS-NRFANRHFSA-N 1 0 424.888 4.464 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000481983749 897377602 /nfs/dbraw/zinc/37/76/02/897377602.db2.gz KTUJQHXOSGIZJS-UYAOXDASSA-N 1 0 408.502 4.076 20 5 HIBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000481997727 897394070 /nfs/dbraw/zinc/39/40/70/897394070.db2.gz KEWVEAZJPYSPHP-UHFFFAOYSA-N 1 0 415.515 4.181 20 5 HIBDRO CCC[C@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482088182 897529387 /nfs/dbraw/zinc/52/93/87/897529387.db2.gz LDMRTABLDFUHOK-NLPFYKDJSA-N 1 0 405.564 4.160 20 5 HIBDRO CCC[C@@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482256652 897738656 /nfs/dbraw/zinc/73/86/56/897738656.db2.gz NFEITABSEYCBEG-RTBURBONSA-N 1 0 401.532 4.451 20 5 HIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000482499701 898081153 /nfs/dbraw/zinc/08/11/53/898081153.db2.gz OMISXMGEEBSTND-MRXNPFEDSA-N 1 0 402.516 4.204 20 5 HIBDRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000482501472 898082704 /nfs/dbraw/zinc/08/27/04/898082704.db2.gz SEUUVSRJBVDZGH-KRWDZBQOSA-N 1 0 410.518 4.099 20 5 HIBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482503407 898084282 /nfs/dbraw/zinc/08/42/82/898084282.db2.gz FJSAXQUVRKWNNT-QFBILLFUSA-N 1 0 416.522 4.198 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482762959 898369903 /nfs/dbraw/zinc/36/99/03/898369903.db2.gz ZVJLPPUVZGNPGP-NQIIRXRSSA-N 1 0 424.501 4.122 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482901260 898521038 /nfs/dbraw/zinc/52/10/38/898521038.db2.gz DDKINIMUCRHJQH-LJQANCHMSA-N 1 0 401.438 4.298 20 5 HIBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483591023 899241962 /nfs/dbraw/zinc/24/19/62/899241962.db2.gz XQZZNHIBVQSQQQ-JPYJTQIMSA-N 1 0 418.497 4.203 20 5 HIBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000483731721 899392127 /nfs/dbraw/zinc/39/21/27/899392127.db2.gz PWSIGIMMVGPVIG-ZCNNSNEGSA-N 1 0 417.893 4.475 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000484888969 900273734 /nfs/dbraw/zinc/27/37/34/900273734.db2.gz AWRHXJTXCKYZIC-ZDUSSCGKSA-N 1 0 411.380 4.481 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000485099341 900409226 /nfs/dbraw/zinc/40/92/26/900409226.db2.gz BKHFYEMSSMTTPT-QGZVFWFLSA-N 1 0 405.564 4.435 20 5 HIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485162940 900461397 /nfs/dbraw/zinc/46/13/97/900461397.db2.gz SRJHNLGMBCCQMB-UYAOXDASSA-N 1 0 422.529 4.153 20 5 HIBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000485604795 900864439 /nfs/dbraw/zinc/86/44/39/900864439.db2.gz VYJHZQNWNPFSER-IBGZPJMESA-N 1 0 410.518 4.153 20 5 HIBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000486003659 901218116 /nfs/dbraw/zinc/21/81/16/901218116.db2.gz MZONARIGNZVUPZ-CVDCTZTESA-N 1 0 403.486 4.181 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000486195465 901380819 /nfs/dbraw/zinc/38/08/19/901380819.db2.gz PAAOYANNSVFTLR-KRWDZBQOSA-N 1 0 405.564 4.291 20 5 HIBDRO CSc1cccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000486703926 901804154 /nfs/dbraw/zinc/80/41/54/901804154.db2.gz SQRJDKFPKZAJEY-OAHLLOKOSA-N 1 0 415.515 4.290 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000505924348 914573561 /nfs/dbraw/zinc/57/35/61/914573561.db2.gz FSIPWAIQSVEINB-IXDOHACOSA-N 1 0 423.941 4.129 20 5 HIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486835848 901886689 /nfs/dbraw/zinc/88/66/89/901886689.db2.gz VTYLNUMNAVOBNH-LBUQITIBSA-N 1 0 405.458 4.155 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486857108 901902437 /nfs/dbraw/zinc/90/24/37/901902437.db2.gz QMZJRXXGGVDYOO-FOIQADDNSA-N 1 0 402.882 4.137 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]Cc3ccc(C)n(C)c3=O)cc2[N+](=O)[O-])cc1 ZINC000487163222 902081526 /nfs/dbraw/zinc/08/15/26/902081526.db2.gz JOOOGEOZIVJRMD-UHFFFAOYSA-N 1 0 409.511 4.351 20 5 HIBDRO Cc1nc(COc2ccc(C[NH2+]Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)no1 ZINC000487185041 902091067 /nfs/dbraw/zinc/09/10/67/902091067.db2.gz IIBANLDLSUZPNQ-UHFFFAOYSA-N 1 0 422.363 4.174 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000487236491 902109271 /nfs/dbraw/zinc/10/92/71/902109271.db2.gz YGTNWDBVPFQSCS-GOSISDBHSA-N 1 0 422.529 4.494 20 5 HIBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000488063911 902576526 /nfs/dbraw/zinc/57/65/26/902576526.db2.gz AJBQHUYMFZSAON-UHFFFAOYSA-N 1 0 408.458 4.007 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488405026 902811711 /nfs/dbraw/zinc/81/17/11/902811711.db2.gz RSUFYMHGONTSGK-UHFFFAOYSA-N 1 0 418.925 4.084 20 5 HIBDRO COc1cc(C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccc1[N+](=O)[O-] ZINC000489231173 903276256 /nfs/dbraw/zinc/27/62/56/903276256.db2.gz IULWSXILYRBQKY-FQEVSTJZSA-N 1 0 415.877 4.205 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000489565101 903468155 /nfs/dbraw/zinc/46/81/55/903468155.db2.gz IFRZDXYZGXLOGR-UHFFFAOYSA-N 1 0 412.515 4.475 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000489592942 903485171 /nfs/dbraw/zinc/48/51/71/903485171.db2.gz BKYYCLIQDNABOJ-QGZVFWFLSA-N 1 0 411.527 4.304 20 5 HIBDRO 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 903720755 /nfs/dbraw/zinc/72/07/55/903720755.db2.gz OLRBUACCAGBVCM-ORFRNNEJSA-N 1 0 417.550 4.287 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000490016942 903726641 /nfs/dbraw/zinc/72/66/41/903726641.db2.gz IFCAKMOXKKEHRX-OAHLLOKOSA-N 1 0 414.531 4.138 20 5 HIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380468 903972284 /nfs/dbraw/zinc/97/22/84/903972284.db2.gz YPBUPMUHSCMOFR-MSOLQXFVSA-N 1 0 414.449 4.027 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797049 904243335 /nfs/dbraw/zinc/24/33/35/904243335.db2.gz NNFINDGSVWLDCN-SJLPKXTDSA-N 1 0 413.543 4.347 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000490816476 904262378 /nfs/dbraw/zinc/26/23/78/904262378.db2.gz COOVZQHIPDBHTG-UHFFFAOYSA-N 1 0 422.529 4.344 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000506148722 914825462 /nfs/dbraw/zinc/82/54/62/914825462.db2.gz TZSOQLLMUKEURF-AWEZNQCLSA-N 1 0 405.380 4.036 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960271 904967550 /nfs/dbraw/zinc/96/75/50/904967550.db2.gz LUYQVWKJJAEBDR-RBUKOAKNSA-N 1 0 410.518 4.270 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000493081551 905014915 /nfs/dbraw/zinc/01/49/15/905014915.db2.gz RHERSMYTDLGHNK-CEXWTWQISA-N 1 0 402.539 4.260 20 5 HIBDRO O=C(NCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000493134026 905027497 /nfs/dbraw/zinc/02/74/97/905027497.db2.gz YCRNJFOEWIXOND-OAQYLSRUSA-N 1 0 409.873 4.357 20 5 HIBDRO CCS[C@@H]1CCC[C@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000493625309 905175913 /nfs/dbraw/zinc/17/59/13/905175913.db2.gz PJDIOXBRLGQERY-UONOGXRCSA-N 1 0 404.479 4.401 20 5 HIBDRO COc1cc(C[NH2+]CC2(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493683746 905193693 /nfs/dbraw/zinc/19/36/93/905193693.db2.gz FWCNFQLTJCWQSU-UHFFFAOYSA-N 1 0 410.392 4.208 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000512399622 921135313 /nfs/dbraw/zinc/13/53/13/921135313.db2.gz VMBDVCKGNLJNHT-QUCCMNQESA-N 1 0 410.518 4.037 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2ccccc2)c1 ZINC000493991419 905334002 /nfs/dbraw/zinc/33/40/02/905334002.db2.gz UOWOIJOXQUXTIH-RBZQAINGSA-N 1 0 409.530 4.042 20 5 HIBDRO C[C@H]1[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000494070076 905407997 /nfs/dbraw/zinc/40/79/97/905407997.db2.gz UQQCMTQLDRKBQP-JTSKRJEESA-N 1 0 411.505 4.074 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000494077274 905415547 /nfs/dbraw/zinc/41/55/47/905415547.db2.gz GUHIAOISCHUCFC-UZLBHIALSA-N 1 0 413.543 4.488 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494267839 905591758 /nfs/dbraw/zinc/59/17/58/905591758.db2.gz JWYWJAHJFGOFAG-UHFFFAOYSA-N 1 0 424.270 4.265 20 5 HIBDRO COc1cc(NCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000494439224 905722374 /nfs/dbraw/zinc/72/23/74/905722374.db2.gz JDACLNBIWNMPOR-QHCPKHFHSA-N 1 0 407.470 4.403 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000494465527 905748209 /nfs/dbraw/zinc/74/82/09/905748209.db2.gz NFTLPUYJHDAZCL-VAMGGRTRSA-N 1 0 415.877 4.085 20 5 HIBDRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000494481588 905762714 /nfs/dbraw/zinc/76/27/14/905762714.db2.gz HEMQNUNCQZDESO-JTQLQIEISA-N 1 0 403.426 4.418 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)cc(C(F)(F)F)c1 ZINC000494498769 905788211 /nfs/dbraw/zinc/78/82/11/905788211.db2.gz WXAWRSROAQBOIH-LJQANCHMSA-N 1 0 402.376 4.477 20 5 HIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(N2CCOCC2)c1 ZINC000494512347 905803440 /nfs/dbraw/zinc/80/34/40/905803440.db2.gz RXIUSROSSFFPPU-AWEZNQCLSA-N 1 0 409.408 4.301 20 5 HIBDRO CC(=O)NCCc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494513570 905804846 /nfs/dbraw/zinc/80/48/46/905804846.db2.gz LSMQOJSCABPQJB-CYBMUJFWSA-N 1 0 409.408 4.143 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494679052 905895442 /nfs/dbraw/zinc/89/54/42/905895442.db2.gz GUIVLTWGCMIVMM-UHFFFAOYSA-N 1 0 417.412 4.128 20 5 HIBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000496286428 906648165 /nfs/dbraw/zinc/64/81/65/906648165.db2.gz TZWJRHCGHBIYOI-SFHVURJKSA-N 1 0 420.494 4.343 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC3(CC2)OCCc2ccsc23)c1 ZINC000497114252 906808597 /nfs/dbraw/zinc/80/85/97/906808597.db2.gz KGHKZHJJXCNAGY-UHFFFAOYSA-N 1 0 410.442 4.322 20 5 HIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497355522 906848944 /nfs/dbraw/zinc/84/89/44/906848944.db2.gz YADLTYXEKMVQMY-UHFFFAOYSA-N 1 0 405.401 4.353 20 5 HIBDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-])C2 ZINC000512812572 921317913 /nfs/dbraw/zinc/31/79/13/921317913.db2.gz WBWLAXFWRIRBIF-FVYSKSNYSA-N 1 0 406.523 4.419 20 5 HIBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)CC1 ZINC000497864185 907342173 /nfs/dbraw/zinc/34/21/73/907342173.db2.gz OGNDKPZJWVUVRI-UHFFFAOYSA-N 1 0 401.894 4.410 20 5 HIBDRO CCC[C@@]1([NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CCOC1 ZINC000512858650 921361787 /nfs/dbraw/zinc/36/17/87/921361787.db2.gz YFWOADFEXIMPKX-JOCHJYFZSA-N 1 0 400.475 4.231 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498507083 907981120 /nfs/dbraw/zinc/98/11/20/907981120.db2.gz BTIYPLCCJSKDFA-QZTJIDSGSA-N 1 0 405.564 4.046 20 5 HIBDRO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498689343 908117415 /nfs/dbraw/zinc/11/74/15/908117415.db2.gz LLYHSNBYKUXYHZ-NQIIRXRSSA-N 1 0 422.529 4.179 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cnn3ccccc23)cc1 ZINC000512895754 921388802 /nfs/dbraw/zinc/38/88/02/921388802.db2.gz QWNRDZRCUGEIEM-UHFFFAOYSA-N 1 0 424.464 4.385 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000498828465 908236081 /nfs/dbraw/zinc/23/60/81/908236081.db2.gz VDLVTEZVXRSYMA-KRWDZBQOSA-N 1 0 414.487 4.124 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000512903899 921396146 /nfs/dbraw/zinc/39/61/46/921396146.db2.gz JDXXRWZBKYRNOF-ZDUSSCGKSA-N 1 0 424.906 4.096 20 5 HIBDRO COc1ccc(CN2CCC([NH2+]C(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513027420 921486901 /nfs/dbraw/zinc/48/69/01/921486901.db2.gz KVSHXZJSMPRVAH-UHFFFAOYSA-N 1 0 413.518 4.145 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500441128 909860907 /nfs/dbraw/zinc/86/09/07/909860907.db2.gz NEPJCKUCABSZDP-UHFFFAOYSA-N 1 0 414.531 4.090 20 5 HIBDRO COc1cc(C[NH2+]CCc2cccc3[nH]ccc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000500571340 909934729 /nfs/dbraw/zinc/93/47/29/909934729.db2.gz OGDNQMRJNWMPRR-UHFFFAOYSA-N 1 0 423.391 4.358 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000502012589 910977139 /nfs/dbraw/zinc/97/71/39/910977139.db2.gz BMRPEBBQHJUPAD-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506472724 915071264 /nfs/dbraw/zinc/07/12/64/915071264.db2.gz GSEIMUXDKHILOF-SQNIBIBYSA-N 1 0 413.522 4.292 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)o2)c(Cl)c1 ZINC000513375097 921746955 /nfs/dbraw/zinc/74/69/55/921746955.db2.gz GUFNKORDMJLHOY-MRXNPFEDSA-N 1 0 419.909 4.052 20 5 HIBDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000506617024 915273320 /nfs/dbraw/zinc/27/33/20/915273320.db2.gz HMBJUBZIXYDPSA-HXUWFJFHSA-N 1 0 422.485 4.350 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCN(Cc4cscn4)CC3)s2)cc1 ZINC000513391956 921762694 /nfs/dbraw/zinc/76/26/94/921762694.db2.gz IGPIRRDWSKKZQK-UHFFFAOYSA-N 1 0 414.556 4.488 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(c4nnc5ccccn54)CC3)o2)c1 ZINC000506704544 915379439 /nfs/dbraw/zinc/37/94/39/915379439.db2.gz CFDXZWRWHRBNRY-UHFFFAOYSA-N 1 0 403.442 4.277 20 5 HIBDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000507014846 915823341 /nfs/dbraw/zinc/82/33/41/915823341.db2.gz YMZHRLHVVJCKDH-UHFFFAOYSA-N 1 0 424.545 4.491 20 5 HIBDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000507019904 915826873 /nfs/dbraw/zinc/82/68/73/915826873.db2.gz HBDLTCGRFKGDPG-UHFFFAOYSA-N 1 0 413.493 4.386 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000507035238 915833378 /nfs/dbraw/zinc/83/33/78/915833378.db2.gz CUUJATFOMYRPBZ-FQEVSTJZSA-N 1 0 403.454 4.448 20 5 HIBDRO CC(C)C(=O)NC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000507185949 915934768 /nfs/dbraw/zinc/93/47/68/915934768.db2.gz AEBIDLHMIRSLDL-UHFFFAOYSA-N 1 0 405.882 4.245 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000507969920 916821700 /nfs/dbraw/zinc/82/17/00/916821700.db2.gz MYRKSRPBXBXNSS-UHFFFAOYSA-N 1 0 416.481 4.051 20 5 HIBDRO CC(=O)NC1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000508102191 916918888 /nfs/dbraw/zinc/91/88/88/916918888.db2.gz LIADMPBOKVRADA-UHFFFAOYSA-N 1 0 401.438 4.063 20 5 HIBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000508212017 917030406 /nfs/dbraw/zinc/03/04/06/917030406.db2.gz WEVNOVLRVGIHJD-UHFFFAOYSA-N 1 0 410.518 4.155 20 5 HIBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000508342423 917144650 /nfs/dbraw/zinc/14/46/50/917144650.db2.gz KBPNIHSJAZLBFH-QZTJIDSGSA-N 1 0 410.518 4.057 20 5 HIBDRO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570287 917343824 /nfs/dbraw/zinc/34/38/24/917343824.db2.gz PDEVIYCQJJSYRV-FOIQADDNSA-N 1 0 421.419 4.227 20 5 HIBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000508648623 917414552 /nfs/dbraw/zinc/41/45/52/917414552.db2.gz DUHSOYDRRWTGNS-ZFWWWQNUSA-N 1 0 403.866 4.126 20 5 HIBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000509347960 918013129 /nfs/dbraw/zinc/01/31/29/918013129.db2.gz HRYJGAKRWXERNK-ZDUSSCGKSA-N 1 0 418.375 4.442 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000509423180 918082668 /nfs/dbraw/zinc/08/26/68/918082668.db2.gz VDDBPVWTXPJAQO-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO COc1cc(CNCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509578463 918227654 /nfs/dbraw/zinc/22/76/54/918227654.db2.gz HIDMWCVHSPFAOD-UHFFFAOYSA-N 1 0 413.518 4.146 20 5 HIBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000510003588 918585829 /nfs/dbraw/zinc/58/58/29/918585829.db2.gz CXGAVCMKQDLAHP-SFHVURJKSA-N 1 0 406.442 4.251 20 5 HIBDRO COc1cc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])cc1OC ZINC000510090406 918656817 /nfs/dbraw/zinc/65/68/17/918656817.db2.gz YNOJAJJYWBLSRR-UHFFFAOYSA-N 1 0 410.474 4.067 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@@H+]1Cc1ccccc1 ZINC000510111816 918672908 /nfs/dbraw/zinc/67/29/08/918672908.db2.gz FMESCZDJZYSSRD-AEFFLSMTSA-N 1 0 407.470 4.372 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@@H+]1Cc1ccccc1 ZINC000510111821 918673195 /nfs/dbraw/zinc/67/31/95/918673195.db2.gz FMESCZDJZYSSRD-SJLPKXTDSA-N 1 0 407.470 4.372 20 5 HIBDRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)CC1 ZINC000510385612 918865728 /nfs/dbraw/zinc/86/57/28/918865728.db2.gz AWQUZJMHUMFNSD-UHFFFAOYSA-N 1 0 411.502 4.325 20 5 HIBDRO Cc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000510473779 918927945 /nfs/dbraw/zinc/92/79/45/918927945.db2.gz CAIQYYDODZAAFL-UHFFFAOYSA-N 1 0 406.280 4.288 20 5 HIBDRO C[C@@H]1CN(C2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCO1 ZINC000510520735 918966183 /nfs/dbraw/zinc/96/61/83/918966183.db2.gz LFCMTESNGSLJMX-MRXNPFEDSA-N 1 0 401.532 4.008 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000510537888 918982238 /nfs/dbraw/zinc/98/22/38/918982238.db2.gz KMCZUILAJWVRHY-SFHVURJKSA-N 1 0 422.485 4.285 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510538394 918984032 /nfs/dbraw/zinc/98/40/32/918984032.db2.gz LZVNOWWQRWEYMN-LJQANCHMSA-N 1 0 422.485 4.285 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000510547602 918992586 /nfs/dbraw/zinc/99/25/86/918992586.db2.gz PAGAKAXNBBHQAI-ACJLOTCBSA-N 1 0 420.307 4.087 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000510824234 919303841 /nfs/dbraw/zinc/30/38/41/919303841.db2.gz BQKFXUQJAWQAJD-HXUWFJFHSA-N 1 0 403.866 4.326 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000510879481 919374567 /nfs/dbraw/zinc/37/45/67/919374567.db2.gz BMZCHNQFEDPGPM-UHFFFAOYSA-N 1 0 424.545 4.211 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511223490 919830825 /nfs/dbraw/zinc/83/08/25/919830825.db2.gz PDICFLUAFOCJNX-DOTOQJQBSA-N 1 0 401.894 4.279 20 5 HIBDRO CC1CCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000511392676 920003541 /nfs/dbraw/zinc/00/35/41/920003541.db2.gz WQKNMPMATHYHPM-UHFFFAOYSA-N 1 0 416.566 4.168 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000512007419 920778589 /nfs/dbraw/zinc/77/85/89/920778589.db2.gz ICADAKNXYROPBB-INIZCTEOSA-N 1 0 406.486 4.381 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)C1 ZINC000512074291 920839689 /nfs/dbraw/zinc/83/96/89/920839689.db2.gz QEGOWJXJVRJWAJ-MRXNPFEDSA-N 1 0 406.486 4.238 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000512299365 921055230 /nfs/dbraw/zinc/05/52/30/921055230.db2.gz PXNUPBFVYDVIBH-UHFFFAOYSA-N 1 0 417.556 4.183 20 5 HIBDRO CC[NH+](CC)[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513763516 922083379 /nfs/dbraw/zinc/08/33/79/922083379.db2.gz YTJQDMBIKHDSJQ-FGZHOGPDSA-N 1 0 407.518 4.090 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513857662 922184642 /nfs/dbraw/zinc/18/46/42/922184642.db2.gz OJYDTNURXHKPPF-ZHNGQKSSSA-N 1 0 421.497 4.130 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000513919866 922242730 /nfs/dbraw/zinc/24/27/30/922242730.db2.gz GFXVRRQRGXYBJH-NRFANRHFSA-N 1 0 406.486 4.107 20 5 HIBDRO COC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(Cl)c1 ZINC000515014126 922877855 /nfs/dbraw/zinc/87/78/55/922877855.db2.gz KHUODOAZUUWEAP-GOSISDBHSA-N 1 0 401.850 4.423 20 5 HIBDRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000515509240 923143893 /nfs/dbraw/zinc/14/38/93/923143893.db2.gz STCFSQWXSVEPMV-MSOLQXFVSA-N 1 0 410.518 4.387 20 5 HIBDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000517541990 924255651 /nfs/dbraw/zinc/25/56/51/924255651.db2.gz CGEGPVSBZZQPIU-AWEZNQCLSA-N 1 0 408.296 4.191 20 5 HIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2ccccc2C1 ZINC000517552964 924262640 /nfs/dbraw/zinc/26/26/40/924262640.db2.gz JXMUSIQZLKKCJS-UHFFFAOYSA-N 1 0 405.445 4.123 20 5 HIBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 ZINC000517576030 926689437 /nfs/dbraw/zinc/68/94/37/926689437.db2.gz IALJOVJDSPJIGQ-UHFFFAOYSA-N 1 0 423.444 4.354 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)s1 ZINC000517615611 926725884 /nfs/dbraw/zinc/72/58/84/926725884.db2.gz LJCFGGYCIVYUBQ-AWEZNQCLSA-N 1 0 407.923 4.212 20 5 HIBDRO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000517709239 926808076 /nfs/dbraw/zinc/80/80/76/926808076.db2.gz IPNKBYKGZXSCKN-OAQYLSRUSA-N 1 0 413.518 4.146 20 5 HIBDRO O=C1[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000518283199 927141363 /nfs/dbraw/zinc/14/13/63/927141363.db2.gz JHFSVSWRQFBRBE-IRXDYDNUSA-N 1 0 403.891 4.180 20 5 HIBDRO COc1ccc(C[C@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000518454046 927285739 /nfs/dbraw/zinc/28/57/39/927285739.db2.gz WVHUYLPQJNCANQ-LJQANCHMSA-N 1 0 411.502 4.195 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000518871277 927580441 /nfs/dbraw/zinc/58/04/41/927580441.db2.gz HRGWLYNUIGBQFF-UHFFFAOYSA-N 1 0 405.454 4.424 20 5 HIBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000520061257 928285535 /nfs/dbraw/zinc/28/55/35/928285535.db2.gz KTEJSIFDHUXXQY-SFHVURJKSA-N 1 0 410.518 4.057 20 5 HIBDRO Cc1cccc([C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N2CCOCC2)c1 ZINC000520203325 928386847 /nfs/dbraw/zinc/38/68/47/928386847.db2.gz XWNZVTFULZRYJG-QHCPKHFHSA-N 1 0 421.497 4.326 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(O)CCCCC3)o2)c(Br)c1 ZINC000520212163 928391221 /nfs/dbraw/zinc/39/12/21/928391221.db2.gz PVZHDMGSAIQHAJ-UHFFFAOYSA-N 1 0 409.280 4.402 20 5 HIBDRO CC(C)CC[N@@H+]1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000520225330 928400310 /nfs/dbraw/zinc/40/03/10/928400310.db2.gz CRWWVZOJTPLTOV-QFIPXVFZSA-N 1 0 408.502 4.174 20 5 HIBDRO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000520390080 928542697 /nfs/dbraw/zinc/54/26/97/928542697.db2.gz IBIHPGSKYZRZJM-NRFANRHFSA-N 1 0 413.518 4.146 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000520447327 928570399 /nfs/dbraw/zinc/57/03/99/928570399.db2.gz YSGBXUHNWNQGQA-LJQANCHMSA-N 1 0 423.435 4.355 20 5 HIBDRO COC1CC[NH+](C2(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000520754746 928801990 /nfs/dbraw/zinc/80/19/90/928801990.db2.gz CKWPWHGODJMOQM-UHFFFAOYSA-N 1 0 401.429 4.449 20 5 HIBDRO COc1cc(C[NH2+]CCN2CCCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520951698 928886659 /nfs/dbraw/zinc/88/66/59/928886659.db2.gz IQKPXKLHULRJET-UHFFFAOYSA-N 1 0 413.518 4.148 20 5 HIBDRO Cc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000520951104 928886906 /nfs/dbraw/zinc/88/69/06/928886906.db2.gz PBHVTXRAKRRNBC-YWZLYKJASA-N 1 0 421.900 4.247 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000524644580 929757105 /nfs/dbraw/zinc/75/71/05/929757105.db2.gz PNSAQYOUZYHECN-ACJLOTCBSA-N 1 0 405.545 4.191 20 5 HIBDRO C[C@@H]([NH2+][C@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000524888349 929874289 /nfs/dbraw/zinc/87/42/89/929874289.db2.gz PBMQOWHWSHKWFI-WZONZLPQSA-N 1 0 419.481 4.470 20 5 HIBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525537575 930310736 /nfs/dbraw/zinc/31/07/36/930310736.db2.gz USDMIQCWXWIPEK-KSSFIOAISA-N 1 0 417.893 4.453 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000525555007 930323204 /nfs/dbraw/zinc/32/32/04/930323204.db2.gz ZXLARKHYQSMNCV-KHYOSLBOSA-N 1 0 419.572 4.336 20 5 HIBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000525621286 930367553 /nfs/dbraw/zinc/36/75/53/930367553.db2.gz PZURWQDXPAQXCG-UWJYYQICSA-N 1 0 410.518 4.009 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000530965441 930870244 /nfs/dbraw/zinc/87/02/44/930870244.db2.gz WMNLRGKECZMLTM-OLZOCXBDSA-N 1 0 411.380 4.480 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000531110168 930923804 /nfs/dbraw/zinc/92/38/04/930923804.db2.gz LEPLUHQRLKVQHS-GFCCVEGCSA-N 1 0 402.838 4.500 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531265119 930988734 /nfs/dbraw/zinc/98/87/34/930988734.db2.gz UJGILDUHVBCIMN-HXUWFJFHSA-N 1 0 401.894 4.134 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000531758876 931185187 /nfs/dbraw/zinc/18/51/87/931185187.db2.gz VEWXCOWNBMRKLO-CQSZACIVSA-N 1 0 418.412 4.126 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCN(c4c(F)cccc4F)C3)cs2)c1 ZINC000531777698 931192723 /nfs/dbraw/zinc/19/27/23/931192723.db2.gz KZZGIXRYQSZOOS-CQSZACIVSA-N 1 0 416.453 4.365 20 5 HIBDRO CCOc1ccc(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000532751762 931622406 /nfs/dbraw/zinc/62/24/06/931622406.db2.gz KARQMFDGRYRNJV-UHFFFAOYSA-N 1 0 411.380 4.083 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000532904978 931686839 /nfs/dbraw/zinc/68/68/39/931686839.db2.gz AFNFPWCGXTYJDS-UHFFFAOYSA-N 1 0 407.426 4.188 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)o2)c1 ZINC000532942931 931706434 /nfs/dbraw/zinc/70/64/34/931706434.db2.gz ZNEYBHDWTVIBEM-IBGZPJMESA-N 1 0 421.453 4.401 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000533252188 931819623 /nfs/dbraw/zinc/81/96/23/931819623.db2.gz QEXLXERCGIWJHQ-UHFFFAOYSA-N 1 0 406.280 4.126 20 5 HIBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)Cc1ccc(OC)cc1 ZINC000533281543 931826807 /nfs/dbraw/zinc/82/68/07/931826807.db2.gz RPQXXEGWXCDIQH-AWEZNQCLSA-N 1 0 405.882 4.148 20 5 HIBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000533440402 931870324 /nfs/dbraw/zinc/87/03/24/931870324.db2.gz SGDAWNFFFANKJP-HNNXBMFYSA-N 1 0 403.866 4.075 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484314 931881156 /nfs/dbraw/zinc/88/11/56/931881156.db2.gz HBPIGMGQFQRBPJ-GHTZIAJQSA-N 1 0 424.545 4.217 20 5 HIBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3cccc(Br)c3)CCOCC2)c1 ZINC000533485427 931881987 /nfs/dbraw/zinc/88/19/87/931881987.db2.gz CJWBEDBFPKFWCD-UHFFFAOYSA-N 1 0 421.291 4.032 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000533513719 931890616 /nfs/dbraw/zinc/89/06/16/931890616.db2.gz QCZLYHNIWKRRLV-OAQYLSRUSA-N 1 0 401.438 4.202 20 5 HIBDRO COc1ccc(NC(=O)[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000533962807 932138318 /nfs/dbraw/zinc/13/83/18/932138318.db2.gz ZIUNSECLHHJZBF-QFIPXVFZSA-N 1 0 405.454 4.116 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534122533 932288679 /nfs/dbraw/zinc/28/86/79/932288679.db2.gz QDIKVVKDKMVZHN-SFHVURJKSA-N 1 0 406.486 4.346 20 5 HIBDRO Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000534476353 932506582 /nfs/dbraw/zinc/50/65/82/932506582.db2.gz NNMRCOYNCUCDAF-AWEZNQCLSA-N 1 0 402.520 4.065 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000535045425 932891107 /nfs/dbraw/zinc/89/11/07/932891107.db2.gz QRZVTMMUVHKYSQ-UHFFFAOYSA-N 1 0 411.433 4.211 20 5 HIBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000535669880 933315498 /nfs/dbraw/zinc/31/54/98/933315498.db2.gz DIAPGXWHHQUXEI-KXBFYZLASA-N 1 0 405.857 4.119 20 5 HIBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535695746 933350511 /nfs/dbraw/zinc/35/05/11/933350511.db2.gz CYKJOGSHDWKYPE-UHFFFAOYSA-N 1 0 418.497 4.204 20 5 HIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000535810306 933406040 /nfs/dbraw/zinc/40/60/40/933406040.db2.gz CBUYCLLPGYBHQZ-QGZVFWFLSA-N 1 0 411.437 4.030 20 5 HIBDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000537323668 933716120 /nfs/dbraw/zinc/71/61/20/933716120.db2.gz LHABWKOOTVYQMD-AVRDEDQJSA-N 1 0 419.529 4.138 20 5 HIBDRO CC[NH+](CC)CCOC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000537658114 938348276 /nfs/dbraw/zinc/34/82/76/938348276.db2.gz AMJCHZANBAKMJR-UHFFFAOYSA-N 1 0 418.563 4.041 20 5 HIBDRO Cn1cc(CNc2ccccc2C[NH+]2CCSCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537732749 938365363 /nfs/dbraw/zinc/36/53/63/938365363.db2.gz ZTZUVLPWIXVFTP-UHFFFAOYSA-N 1 0 423.542 4.156 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537775418 938374278 /nfs/dbraw/zinc/37/42/78/938374278.db2.gz BCFSWAPYPUZFIN-VQIMIIECSA-N 1 0 400.475 4.087 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000537963939 938437357 /nfs/dbraw/zinc/43/73/57/938437357.db2.gz AIDDNACVQCSSPF-BLLLJJGKSA-N 1 0 409.280 4.140 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000537968521 938439688 /nfs/dbraw/zinc/43/96/88/938439688.db2.gz KKTGJFJONJJJCE-KBPBESRZSA-N 1 0 411.487 4.181 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000538322959 938592612 /nfs/dbraw/zinc/59/26/12/938592612.db2.gz HLKZTDWNHZCVKY-RBZFPXEDSA-N 1 0 401.438 4.119 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCN(c4ncccc4F)C3)o2)c(Cl)c1 ZINC000538420406 938616549 /nfs/dbraw/zinc/61/65/49/938616549.db2.gz PHYIBMYPUUNHQQ-ZDUSSCGKSA-N 1 0 416.840 4.411 20 5 HIBDRO Cn1cc(CNc2cccc(CC[N@H+](C)C3CC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538452717 938625777 /nfs/dbraw/zinc/62/57/77/938625777.db2.gz DBTZINBONXXICU-UHFFFAOYSA-N 1 0 405.502 4.244 20 5 HIBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000538718496 938689540 /nfs/dbraw/zinc/68/95/40/938689540.db2.gz WQESYYJQIIAFHM-UXHICEINSA-N 1 0 402.516 4.075 20 5 HIBDRO Cn1cc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538728133 938693884 /nfs/dbraw/zinc/69/38/84/938693884.db2.gz YFFBMRJNGJJINI-JOCHJYFZSA-N 1 0 405.502 4.096 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538749962 938700809 /nfs/dbraw/zinc/70/08/09/938700809.db2.gz QGCXUJIKMRTSTO-UXHICEINSA-N 1 0 412.486 4.041 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000538752848 938702789 /nfs/dbraw/zinc/70/27/89/938702789.db2.gz QMBGFDJDUSINGJ-LJQANCHMSA-N 1 0 411.502 4.096 20 5 HIBDRO CN(c1ccccc1)c1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000538795316 938714283 /nfs/dbraw/zinc/71/42/83/938714283.db2.gz URNXSCTZHBXUEA-JCTONOIOSA-N 1 0 424.545 4.046 20 5 HIBDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000539088387 938800260 /nfs/dbraw/zinc/80/02/60/938800260.db2.gz SXKLCWXCYUXAMJ-INIZCTEOSA-N 1 0 405.520 4.030 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000539225301 938821411 /nfs/dbraw/zinc/82/14/11/938821411.db2.gz CJODCPPJBAFDTM-IRXDYDNUSA-N 1 0 420.469 4.247 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539253477 938827044 /nfs/dbraw/zinc/82/70/44/938827044.db2.gz MHPMSDZLGFQFPV-IAGOWNOFSA-N 1 0 420.469 4.247 20 5 HIBDRO Cc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C ZINC000539291247 938834720 /nfs/dbraw/zinc/83/47/20/938834720.db2.gz VUSNWXGKYWJVEU-ZDUSSCGKSA-N 1 0 406.280 4.263 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000539338689 938844734 /nfs/dbraw/zinc/84/47/34/938844734.db2.gz HVBRBJWMEZRUTC-AOMKIAJQSA-N 1 0 402.454 4.113 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000539339300 938844871 /nfs/dbraw/zinc/84/48/71/938844871.db2.gz QYEYZQXODUSRKF-HOTGVXAUSA-N 1 0 420.469 4.343 20 5 HIBDRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000539502550 938869541 /nfs/dbraw/zinc/86/95/41/938869541.db2.gz SIFZOJGAONRKMJ-DAXSKMNVSA-N 1 0 417.469 4.115 20 5 HIBDRO COc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(SC)cc1OC ZINC000539835917 938953311 /nfs/dbraw/zinc/95/33/11/938953311.db2.gz NUGUAVFDZZWTSL-UHFFFAOYSA-N 1 0 418.515 4.377 20 5 HIBDRO COc1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1OC(C)C ZINC000539836017 938953349 /nfs/dbraw/zinc/95/33/49/938953349.db2.gz UCEVCGUHYXKDCE-UHFFFAOYSA-N 1 0 400.475 4.434 20 5 HIBDRO C[C@@H](Nc1cccc(CC[NH+]2CCC(C)CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000539855054 938958685 /nfs/dbraw/zinc/95/86/85/938958685.db2.gz HFIBRDTWSMJCLO-GOSISDBHSA-N 1 0 410.518 4.308 20 5 HIBDRO COc1cc(C[N@@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539900719 938972745 /nfs/dbraw/zinc/97/27/45/938972745.db2.gz WPWRKPZSUUQRNX-CYBMUJFWSA-N 1 0 408.442 4.262 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(Cn3ccnn3)CC2)ccc1Oc1ccc(F)cc1 ZINC000539902978 938974453 /nfs/dbraw/zinc/97/44/53/938974453.db2.gz ABBHVZDRPUEYIU-UHFFFAOYSA-N 1 0 411.437 4.030 20 5 HIBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924219 938978143 /nfs/dbraw/zinc/97/81/43/938978143.db2.gz WLPGDNZDVYYHLT-APWZRJJASA-N 1 0 413.449 4.017 20 5 HIBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000540027294 939043194 /nfs/dbraw/zinc/04/31/94/939043194.db2.gz FLYLZLGFNGIADP-UHFFFAOYSA-N 1 0 406.433 4.334 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000540173201 939102513 /nfs/dbraw/zinc/10/25/13/939102513.db2.gz AMTFOQKWBVSMOV-UHFFFAOYSA-N 1 0 407.873 4.020 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000540326719 939195665 /nfs/dbraw/zinc/19/56/65/939195665.db2.gz XRJHAJQOYDKQQG-OAHLLOKOSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc([N+](=O)[O-])c1 ZINC000540377866 939218348 /nfs/dbraw/zinc/21/83/48/939218348.db2.gz ZCBHRQYZSFLMDZ-HNNXBMFYSA-N 1 0 411.458 4.316 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000540437484 939249220 /nfs/dbraw/zinc/24/92/20/939249220.db2.gz BTPICOPOKWPXHF-ZDUSSCGKSA-N 1 0 418.400 4.241 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000540476789 939268090 /nfs/dbraw/zinc/26/80/90/939268090.db2.gz RPCPBBAKSSVQSZ-CABCVRRESA-N 1 0 412.515 4.211 20 5 HIBDRO COc1ccc2cc(CN(C)C(=O)C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2c1 ZINC000540479352 939268806 /nfs/dbraw/zinc/26/88/06/939268806.db2.gz BYHCEAUIWMGTPB-QGZVFWFLSA-N 1 0 421.497 4.374 20 5 HIBDRO CC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000540554240 939303245 /nfs/dbraw/zinc/30/32/45/939303245.db2.gz METLOXYPZUDBFG-FYJQUHEMSA-N 1 0 423.513 4.350 20 5 HIBDRO COc1ccc(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541103976 939461559 /nfs/dbraw/zinc/46/15/59/939461559.db2.gz VJCRPNRQCDVGMD-FUHWJXTLSA-N 1 0 412.490 4.026 20 5 HIBDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000541323032 939490838 /nfs/dbraw/zinc/49/08/38/939490838.db2.gz AIRZIIORGHPCNW-UPRAQXHNSA-N 1 0 408.907 4.009 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549137 939551477 /nfs/dbraw/zinc/55/14/77/939551477.db2.gz MOMHFNGAUCQICY-KUHUBIRLSA-N 1 0 411.424 4.313 20 5 HIBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC000541577993 939559670 /nfs/dbraw/zinc/55/96/70/939559670.db2.gz NHIMNZPZLLTSQV-KRWDZBQOSA-N 1 0 407.417 4.454 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541785249 939629516 /nfs/dbraw/zinc/62/95/16/939629516.db2.gz JXHCQJWTRUUAFR-SGTLLEGYSA-N 1 0 424.835 4.341 20 5 HIBDRO COc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542031625 939693476 /nfs/dbraw/zinc/69/34/76/939693476.db2.gz FHFYQBSKEBIKAE-AZUAARDMSA-N 1 0 424.501 4.122 20 5 HIBDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000542258602 939774372 /nfs/dbraw/zinc/77/43/72/939774372.db2.gz ZHVFSIBWODKQJU-KDOFPFPSSA-N 1 0 413.499 4.117 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000542483756 939831260 /nfs/dbraw/zinc/83/12/60/939831260.db2.gz GKZJSXZZPWFGHM-GFCCVEGCSA-N 1 0 402.800 4.208 20 5 HIBDRO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1c1cccnc1 ZINC000542483148 939831330 /nfs/dbraw/zinc/83/13/30/939831330.db2.gz ZBSFCGNSKRGQAO-LJQANCHMSA-N 1 0 408.483 4.004 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000563740039 945276978 /nfs/dbraw/zinc/27/69/78/945276978.db2.gz PSABUCSZYNOJQO-VIFPVBQESA-N 1 0 414.318 4.446 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000542702023 939855372 /nfs/dbraw/zinc/85/53/72/939855372.db2.gz RVZCOGZFJCVSER-HXUWFJFHSA-N 1 0 423.435 4.085 20 5 HIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000542763889 939859747 /nfs/dbraw/zinc/85/97/47/939859747.db2.gz RTXVPOUAVMDSEQ-UHFFFAOYSA-N 1 0 400.454 4.110 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000542915025 939877150 /nfs/dbraw/zinc/87/71/50/939877150.db2.gz GSFXVXGQPUMQFL-QGZVFWFLSA-N 1 0 407.555 4.333 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1OC ZINC000542916955 939877409 /nfs/dbraw/zinc/87/74/09/939877409.db2.gz RDZGAPBESYXSDW-IRXDYDNUSA-N 1 0 416.522 4.141 20 5 HIBDRO COc1ccc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000542963237 939887018 /nfs/dbraw/zinc/88/70/18/939887018.db2.gz ZHHLTHOKSGPEKU-UHFFFAOYSA-N 1 0 420.469 4.106 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000543062948 939916062 /nfs/dbraw/zinc/91/60/62/939916062.db2.gz CDLYLEYAJMAXCO-CYBMUJFWSA-N 1 0 400.866 4.279 20 5 HIBDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000543185457 939989135 /nfs/dbraw/zinc/98/91/35/939989135.db2.gz NKYOENJBGIFBBS-FXAWDEMLSA-N 1 0 422.481 4.361 20 5 HIBDRO Cc1c(Br)c(N2CCC(CCC[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000543437415 940063951 /nfs/dbraw/zinc/06/39/51/940063951.db2.gz UZMYHZFZLLSPPC-UHFFFAOYSA-N 1 0 411.344 4.153 20 5 HIBDRO C[C@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000543579150 940117212 /nfs/dbraw/zinc/11/72/12/940117212.db2.gz PXAQRTVRUFTNSY-INIZCTEOSA-N 1 0 415.465 4.341 20 5 HIBDRO O=C1NCCc2ccc(C[NH2+]Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)cc21 ZINC000543619261 940135173 /nfs/dbraw/zinc/13/51/73/940135173.db2.gz KSJXWGXKVCPCJQ-UHFFFAOYSA-N 1 0 421.428 4.102 20 5 HIBDRO Cn1cc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000543636145 940144526 /nfs/dbraw/zinc/14/45/26/940144526.db2.gz WAWJAZXDCITIML-FCHUYYIVSA-N 1 0 424.476 4.487 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000543642585 940147111 /nfs/dbraw/zinc/14/71/11/940147111.db2.gz SIBVYYMVVRUZJO-RDJZCZTQSA-N 1 0 400.454 4.156 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1OC ZINC000543813618 940195316 /nfs/dbraw/zinc/19/53/16/940195316.db2.gz GPXBXTNFUMKAGU-QFBILLFUSA-N 1 0 406.523 4.419 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000563834232 945308289 /nfs/dbraw/zinc/30/82/89/945308289.db2.gz FWQGRAWOFFHREH-DENIHFKCSA-N 1 0 412.873 4.367 20 5 HIBDRO O=[N+]([O-])c1cc(Br)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000563842578 945312087 /nfs/dbraw/zinc/31/20/87/945312087.db2.gz SZQBFJCORYCIBW-KRWDZBQOSA-N 1 0 421.291 4.027 20 5 HIBDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000544118262 940331031 /nfs/dbraw/zinc/33/10/31/940331031.db2.gz SRHGKLPPJSWXLL-QRWLVFNGSA-N 1 0 413.474 4.024 20 5 HIBDRO CCc1c2ccccc2oc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573214 940482531 /nfs/dbraw/zinc/48/25/31/940482531.db2.gz SXBHYMUBGXEZLF-AWEZNQCLSA-N 1 0 402.472 4.028 20 5 HIBDRO CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544848566 940518968 /nfs/dbraw/zinc/51/89/68/940518968.db2.gz DCNHGHZSOUMMRY-GOSISDBHSA-N 1 0 421.419 4.350 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2noc([C@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000545523218 940573126 /nfs/dbraw/zinc/57/31/26/940573126.db2.gz GHGKQCDABATMHN-IBGZPJMESA-N 1 0 418.375 4.351 20 5 HIBDRO CC(C)(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000545872091 940645947 /nfs/dbraw/zinc/64/59/47/940645947.db2.gz QVGWJRUGUMIVID-UHFFFAOYSA-N 1 0 413.493 4.314 20 5 HIBDRO O=[N+]([O-])c1ccc(NCCCc2nc(-c3ccccc3C[NH+]3CCCC3)no2)cc1 ZINC000546237662 940740416 /nfs/dbraw/zinc/74/04/16/940740416.db2.gz RPRAKNWRYGFCFO-UHFFFAOYSA-N 1 0 407.474 4.285 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000546534543 940846423 /nfs/dbraw/zinc/84/64/23/940846423.db2.gz VTBCNTYQUFLBLU-FUHWJXTLSA-N 1 0 413.493 4.181 20 5 HIBDRO CC(C)(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000546570824 940855457 /nfs/dbraw/zinc/85/54/57/940855457.db2.gz ZYXFDHCJMZWXRK-OAHLLOKOSA-N 1 0 419.522 4.101 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547263892 941047672 /nfs/dbraw/zinc/04/76/72/941047672.db2.gz KNBURNBPXIUZOD-IRXDYDNUSA-N 1 0 405.514 4.125 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000548974110 941137142 /nfs/dbraw/zinc/13/71/42/941137142.db2.gz OJYKFVKEVJWZIF-DEOSSOPVSA-N 1 0 423.513 4.122 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000549243474 941173545 /nfs/dbraw/zinc/17/35/45/941173545.db2.gz UTGQEWDQAPBGNK-QGZVFWFLSA-N 1 0 411.502 4.155 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000549243473 941173554 /nfs/dbraw/zinc/17/35/54/941173554.db2.gz UTGQEWDQAPBGNK-KRWDZBQOSA-N 1 0 411.502 4.155 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000549418172 941187954 /nfs/dbraw/zinc/18/79/54/941187954.db2.gz YHYJPDPWBJIXBP-UHFFFAOYSA-N 1 0 411.502 4.300 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549510499 941197549 /nfs/dbraw/zinc/19/75/49/941197549.db2.gz XWHAGAJXPNQLHF-KBXCAEBGSA-N 1 0 404.898 4.220 20 5 HIBDRO C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cn1cccn1 ZINC000549551090 941199048 /nfs/dbraw/zinc/19/90/48/941199048.db2.gz QUFNCMCJQVDVMR-GOSISDBHSA-N 1 0 416.485 4.070 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(OC)c1OC ZINC000549925072 941239669 /nfs/dbraw/zinc/23/96/69/941239669.db2.gz AYXURAZODXOXMF-LLVKDONJSA-N 1 0 414.380 4.490 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)cc1 ZINC000550139514 941288834 /nfs/dbraw/zinc/28/88/34/941288834.db2.gz YLQHPUPPPDHMSK-UHFFFAOYSA-N 1 0 423.282 4.378 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000550393466 941321599 /nfs/dbraw/zinc/32/15/99/941321599.db2.gz LRCDAOWHDLIICB-QGZVFWFLSA-N 1 0 403.866 4.039 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1[N+](=O)[O-] ZINC000551812784 941550198 /nfs/dbraw/zinc/55/01/98/941550198.db2.gz XUFBYBGIJGHELU-CABCVRRESA-N 1 0 406.504 4.199 20 5 HIBDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552067633 941578566 /nfs/dbraw/zinc/57/85/66/941578566.db2.gz SABQPIFUQKIKLI-PGRDOPGGSA-N 1 0 406.486 4.136 20 5 HIBDRO COc1cc(CN(Cc2ccccn2)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552084322 941581826 /nfs/dbraw/zinc/58/18/26/941581826.db2.gz OPJPXNPTCQDKRW-UHFFFAOYSA-N 1 0 413.396 4.350 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](C3CC3)C3(CO)CCOCC3)o2)c(Cl)c1 ZINC000552129797 941590247 /nfs/dbraw/zinc/59/02/47/941590247.db2.gz KONGKRMEESBQPP-HXUWFJFHSA-N 1 0 420.893 4.166 20 5 HIBDRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000553007644 941815091 /nfs/dbraw/zinc/81/50/91/941815091.db2.gz IQEZTGIIBYWDRA-UHFFFAOYSA-N 1 0 424.682 4.228 20 5 HIBDRO CCC[N@H+](C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553242856 941855636 /nfs/dbraw/zinc/85/56/36/941855636.db2.gz MRYUUYXMIJAHQN-LJQANCHMSA-N 1 0 415.881 4.392 20 5 HIBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000553754943 941960374 /nfs/dbraw/zinc/96/03/74/941960374.db2.gz WADHFEKWULREMS-UHFFFAOYSA-N 1 0 416.547 4.445 20 5 HIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1OC ZINC000554291475 942092330 /nfs/dbraw/zinc/09/23/30/942092330.db2.gz VYMQIQIMCDMLMQ-STQMWFEESA-N 1 0 421.881 4.252 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000554976546 942340786 /nfs/dbraw/zinc/34/07/86/942340786.db2.gz RJONNPJIBTXYRR-UHFFFAOYSA-N 1 0 421.238 4.013 20 5 HIBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555109987 942388010 /nfs/dbraw/zinc/38/80/10/942388010.db2.gz FPCMKXMWNILSRW-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000555152680 942406995 /nfs/dbraw/zinc/40/69/95/942406995.db2.gz OPRLDESFFNEETM-HKUYNNGSSA-N 1 0 411.502 4.194 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000556850635 942939944 /nfs/dbraw/zinc/93/99/44/942939944.db2.gz QNCDXWZZCVGFSL-ZBFHGGJFSA-N 1 0 421.950 4.190 20 5 HIBDRO Cc1ccccc1C1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000556872952 942945848 /nfs/dbraw/zinc/94/58/48/942945848.db2.gz LVSRHTLTKCOSMC-JOCHJYFZSA-N 1 0 420.513 4.064 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000556909801 942961430 /nfs/dbraw/zinc/96/14/30/942961430.db2.gz MLABTYYYYZWOJS-JOCHJYFZSA-N 1 0 418.497 4.327 20 5 HIBDRO C[N@@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000557624005 943235990 /nfs/dbraw/zinc/23/59/90/943235990.db2.gz ALCPJCCAEZDMAL-BZNIZROVSA-N 1 0 421.885 4.497 20 5 HIBDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000558086369 943376814 /nfs/dbraw/zinc/37/68/14/943376814.db2.gz SKALTRIKSBQYTE-JPYJTQIMSA-N 1 0 403.482 4.173 20 5 HIBDRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000559155509 943854715 /nfs/dbraw/zinc/85/47/15/943854715.db2.gz OMLXRCDQLIUDLU-LBPRGKRZSA-N 1 0 412.364 4.016 20 5 HIBDRO CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000560579952 944262562 /nfs/dbraw/zinc/26/25/62/944262562.db2.gz AQQUERXOCARWRO-IBGZPJMESA-N 1 0 416.909 4.193 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](CO)CC3)o2)c(Br)c1 ZINC000560628900 944279187 /nfs/dbraw/zinc/27/91/87/944279187.db2.gz JBRJVQVLGKJCNN-ZDUSSCGKSA-N 1 0 409.280 4.212 20 5 HIBDRO COc1ccc(OC2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 ZINC000560670851 944289101 /nfs/dbraw/zinc/28/91/01/944289101.db2.gz WTFMUGRHLVDNKZ-UHFFFAOYSA-N 1 0 423.469 4.344 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000561125865 944466859 /nfs/dbraw/zinc/46/68/59/944466859.db2.gz DTPPSFVIDFMISX-HUUCEWRRSA-N 1 0 402.520 4.456 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(c4ccc(F)cc4)CCOCC3)o2)c1 ZINC000561125157 944467274 /nfs/dbraw/zinc/46/72/74/944467274.db2.gz XJBRGCWGFHWDTK-UHFFFAOYSA-N 1 0 411.433 4.227 20 5 HIBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000561228312 944520876 /nfs/dbraw/zinc/52/08/76/944520876.db2.gz OTCQMBMDTJUTRJ-IAGOWNOFSA-N 1 0 411.527 4.445 20 5 HIBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000561260030 944531346 /nfs/dbraw/zinc/53/13/46/944531346.db2.gz ZNULVFGXTANVAI-WMZOPIPTSA-N 1 0 409.515 4.090 20 5 HIBDRO CC[C@H]([NH2+][C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C1CCOCC1 ZINC000561371271 944564389 /nfs/dbraw/zinc/56/43/89/944564389.db2.gz IENNXEXXFWUIBR-UGKGYDQZSA-N 1 0 411.502 4.378 20 5 HIBDRO C[NH+](C)CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1cccc(F)c1 ZINC000561976511 944883324 /nfs/dbraw/zinc/88/33/24/944883324.db2.gz JLHQQZZJFPAVBA-UHFFFAOYSA-N 1 0 414.506 4.421 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000565090851 945771801 /nfs/dbraw/zinc/77/18/01/945771801.db2.gz IAKZNISRTKZAJI-MLNJSSBLSA-N 1 0 414.483 4.452 20 5 HIBDRO C[C@H](c1ccccc1Cl)N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000565099378 945774002 /nfs/dbraw/zinc/77/40/02/945774002.db2.gz ZILROVGHWVGPJR-GFCCVEGCSA-N 1 0 403.895 4.136 20 5 HIBDRO CCc1noc(C)c1C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000565376358 945818523 /nfs/dbraw/zinc/81/85/23/945818523.db2.gz FPOOQSNGVRBEQV-UHFFFAOYSA-N 1 0 411.458 4.331 20 5 HIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000565531823 945845350 /nfs/dbraw/zinc/84/53/50/945845350.db2.gz FIDHTADJRBVZCI-DYVFJYSZSA-N 1 0 413.440 4.240 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000566530717 946033130 /nfs/dbraw/zinc/03/31/30/946033130.db2.gz HMYNQYDSLLWPGZ-UHFFFAOYSA-N 1 0 406.486 4.312 20 5 HIBDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000568546492 946587371 /nfs/dbraw/zinc/58/73/71/946587371.db2.gz AFEAGXAGVAFMHZ-AWEZNQCLSA-N 1 0 409.408 4.139 20 5 HIBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC000569286310 946849909 /nfs/dbraw/zinc/84/99/09/946849909.db2.gz SYOFOEXWLGDSMG-PZJWPPBQSA-N 1 0 407.470 4.390 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000570502191 947268658 /nfs/dbraw/zinc/26/86/58/947268658.db2.gz DTUKZNOUTZRSLA-FZKQIMNGSA-N 1 0 420.307 4.087 20 5 HIBDRO CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000571336549 947605200 /nfs/dbraw/zinc/60/52/00/947605200.db2.gz JDKMBWPKKRXZMB-UONOGXRCSA-N 1 0 403.504 4.393 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccccc3OCc3cccnc3)c2c1 ZINC000571478556 947666835 /nfs/dbraw/zinc/66/68/35/947666835.db2.gz IONXSEAKWSMSLZ-UHFFFAOYSA-N 1 0 402.454 4.382 20 5 HIBDRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000573633071 948259618 /nfs/dbraw/zinc/25/96/18/948259618.db2.gz XXFWSMPUKFPWHF-JMUQELJHSA-N 1 0 419.529 4.060 20 5 HIBDRO CC(C)[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000574082918 948361044 /nfs/dbraw/zinc/36/10/44/948361044.db2.gz XWBKWOSGUATMDJ-INIZCTEOSA-N 1 0 401.429 4.100 20 5 HIBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000574326464 948413526 /nfs/dbraw/zinc/41/35/26/948413526.db2.gz NGXVEAMIPNZIFS-FXAWDEMLSA-N 1 0 410.518 4.152 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000574560565 948474208 /nfs/dbraw/zinc/47/42/08/948474208.db2.gz KHBQKWDQSDJUDW-UXHICEINSA-N 1 0 408.502 4.197 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)c1ccccn1 ZINC000575747005 948692380 /nfs/dbraw/zinc/69/23/80/948692380.db2.gz JPQKOKRRACBZRK-NRFANRHFSA-N 1 0 402.454 4.409 20 5 HIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627854 719068197 /nfs/dbraw/zinc/06/81/97/719068197.db2.gz RJBWPXXTHXSERM-IERDGZPVSA-N 1 0 423.904 4.292 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)cc1 ZINC001164629058 719096106 /nfs/dbraw/zinc/09/61/06/719096106.db2.gz QPUUKHWHGQFKBL-NZQKXSOJSA-N 1 0 415.497 4.153 20 5 HIBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164726932 720441974 /nfs/dbraw/zinc/44/19/74/720441974.db2.gz CGXQVXMDKRWWSJ-OALUTQOASA-N 1 0 409.877 4.045 20 5 HIBDRO COc1nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)ccc1[N+](=O)[O-] ZINC001164760617 721042585 /nfs/dbraw/zinc/04/25/85/721042585.db2.gz YEMKLMUBXRSHFJ-UHFFFAOYSA-N 1 0 410.518 4.189 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000011046009 845748593 /nfs/dbraw/zinc/74/85/93/845748593.db2.gz FIZUEHWZKZHTQZ-KRWDZBQOSA-N 1 0 419.481 4.352 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+]CCNc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000015501224 846054224 /nfs/dbraw/zinc/05/42/24/846054224.db2.gz ATFWWQHEQTWPGZ-JOCHJYFZSA-N 1 0 404.470 4.285 20 5 HIBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000016500913 846179615 /nfs/dbraw/zinc/17/96/15/846179615.db2.gz DYIADIOEIRJCGO-UHFFFAOYSA-N 1 0 422.407 4.353 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)c1 ZINC000023679106 846738889 /nfs/dbraw/zinc/73/88/89/846738889.db2.gz XNUSFRHNOFLZEZ-GBXCKJPGSA-N 1 0 418.449 4.460 20 5 HIBDRO CC[NH+](CC)Cc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000024926122 846891087 /nfs/dbraw/zinc/89/10/87/846891087.db2.gz IQDXUTOEWIEXSJ-UHFFFAOYSA-N 1 0 410.518 4.292 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCSc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000025216607 846942813 /nfs/dbraw/zinc/94/28/13/846942813.db2.gz UJBSKSUOUQAXSS-NHYWBVRUSA-N 1 0 421.906 4.411 20 5 HIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000027140189 847255308 /nfs/dbraw/zinc/25/53/08/847255308.db2.gz MBDCGNWNCXKABZ-UHFFFAOYSA-N 1 0 422.529 4.436 20 5 HIBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1c(Cl)cccc1Cl ZINC000028844238 847468064 /nfs/dbraw/zinc/46/80/64/847468064.db2.gz YHTMAINANNPNJS-UHFFFAOYSA-N 1 0 423.300 4.052 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)C[C@H](C)O1 ZINC000030001639 847668663 /nfs/dbraw/zinc/66/86/63/847668663.db2.gz TYMSWFMKPXQSIV-IRXDYDNUSA-N 1 0 406.486 4.364 20 5 HIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000030454873 847717316 /nfs/dbraw/zinc/71/73/16/847717316.db2.gz ZISJZBDVUHLHOS-CABCVRRESA-N 1 0 401.463 4.068 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000031987089 847975725 /nfs/dbraw/zinc/97/57/25/847975725.db2.gz OVCHMFZCPYZBDW-KBXCAEBGSA-N 1 0 407.561 4.336 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000043302841 848406386 /nfs/dbraw/zinc/40/63/86/848406386.db2.gz CSIXARBAHHCQIG-NWDGAFQWSA-N 1 0 411.380 4.300 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000043644346 848445382 /nfs/dbraw/zinc/44/53/82/848445382.db2.gz XBAMJMBBWJEZAZ-UHFFFAOYSA-N 1 0 411.380 4.083 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048315324 849206290 /nfs/dbraw/zinc/20/62/90/849206290.db2.gz WSPHURXZCKPUDC-UHFFFAOYSA-N 1 0 412.877 4.124 20 5 HIBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050628755 849399589 /nfs/dbraw/zinc/39/95/89/849399589.db2.gz UQDWIOTWHZOOPI-UHFFFAOYSA-N 1 0 414.531 4.103 20 5 HIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000053462538 849714277 /nfs/dbraw/zinc/71/42/77/849714277.db2.gz FLAVQHXXGSXCDY-UHFFFAOYSA-N 1 0 407.474 4.089 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000060063772 851036876 /nfs/dbraw/zinc/03/68/76/851036876.db2.gz GYCWWJVNWQMQIB-IBGZPJMESA-N 1 0 405.882 4.070 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065087063 852059699 /nfs/dbraw/zinc/05/96/99/852059699.db2.gz JSBIUJRDYPDGGL-FQEVSTJZSA-N 1 0 422.510 4.285 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065087167 852059867 /nfs/dbraw/zinc/05/98/67/852059867.db2.gz PDHMQTTUAOROSN-UHFFFAOYSA-N 1 0 424.526 4.490 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065511601 852162137 /nfs/dbraw/zinc/16/21/37/852162137.db2.gz NBWQDPHTZKBWBO-GOSISDBHSA-N 1 0 410.518 4.011 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)C1 ZINC000065734345 852238574 /nfs/dbraw/zinc/23/85/74/852238574.db2.gz QYUUEKCDKJJIOZ-QGZVFWFLSA-N 1 0 406.486 4.420 20 5 HIBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000065743508 852242621 /nfs/dbraw/zinc/24/26/21/852242621.db2.gz YJDTYUGTDVAYND-UHFFFAOYSA-N 1 0 406.486 4.217 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072058218 852489758 /nfs/dbraw/zinc/48/97/58/852489758.db2.gz DOELLRPXDFIDRY-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110075609 853056810 /nfs/dbraw/zinc/05/68/10/853056810.db2.gz YBOYSHAPCJHROV-UHFFFAOYSA-N 1 0 410.499 4.186 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124524654 853369290 /nfs/dbraw/zinc/36/92/90/853369290.db2.gz HJRAVOKYOWZHSO-UHFFFAOYSA-N 1 0 400.070 4.410 20 5 HIBDRO CSc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000195744420 853790981 /nfs/dbraw/zinc/79/09/81/853790981.db2.gz ZNESJEAQQMXFLJ-UHFFFAOYSA-N 1 0 417.556 4.426 20 5 HIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000209116404 853809397 /nfs/dbraw/zinc/80/93/97/853809397.db2.gz VCRNTMNVTWXMDC-YHYXMXQVSA-N 1 0 414.893 4.042 20 5 HIBDRO CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000236952802 853941617 /nfs/dbraw/zinc/94/16/17/853941617.db2.gz OKAKSTXDDMRFQS-IBGZPJMESA-N 1 0 408.458 4.007 20 5 HIBDRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000236976389 853945535 /nfs/dbraw/zinc/94/55/35/853945535.db2.gz XOQMUFFNSDOURP-UHFFFAOYSA-N 1 0 409.442 4.479 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237002699 853949446 /nfs/dbraw/zinc/94/94/46/853949446.db2.gz IADKSKAXXCTBEW-VQIMIIECSA-N 1 0 416.522 4.246 20 5 HIBDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237004509 853950145 /nfs/dbraw/zinc/95/01/45/853950145.db2.gz SGZWLAHBLYWXFE-MRXNPFEDSA-N 1 0 421.501 4.270 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237024652 853952554 /nfs/dbraw/zinc/95/25/54/853952554.db2.gz IADKSKAXXCTBEW-LPHOPBHVSA-N 1 0 416.522 4.246 20 5 HIBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000437281375 862531868 /nfs/dbraw/zinc/53/18/68/862531868.db2.gz SZFBZSDGZGKXKT-UHFFFAOYSA-N 1 0 411.380 4.196 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)o2)c(Cl)c1 ZINC000237864409 854110542 /nfs/dbraw/zinc/11/05/42/854110542.db2.gz IAQZTIUSVSBVFV-LLVKDONJSA-N 1 0 403.788 4.234 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc1Oc1ccc(F)cc1 ZINC000237883997 854114832 /nfs/dbraw/zinc/11/48/32/854114832.db2.gz RNBHQDZUQWKNRO-HNNXBMFYSA-N 1 0 413.371 4.252 20 5 HIBDRO Cc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000237971984 854127885 /nfs/dbraw/zinc/12/78/85/854127885.db2.gz LNIDOGCAXHZRMK-HSZRJFAPSA-N 1 0 419.529 4.230 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2cscn2)cc1 ZINC000237999650 854130680 /nfs/dbraw/zinc/13/06/80/854130680.db2.gz FBKJSGOUFZLGTE-UHFFFAOYSA-N 1 0 405.483 4.236 20 5 HIBDRO COc1cccc(C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C2CCC(O)CC2)c1 ZINC000261400671 854249383 /nfs/dbraw/zinc/24/93/83/854249383.db2.gz QWQVFPMDZQXDLP-UHFFFAOYSA-N 1 0 414.502 4.178 20 5 HIBDRO O=c1[nH]cnc2cc(NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)c([N+](=O)[O-])cc12 ZINC000301087672 854292588 /nfs/dbraw/zinc/29/25/88/854292588.db2.gz NHOPMGNSFZRENB-IBGZPJMESA-N 1 0 413.865 4.146 20 5 HIBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000301329033 854360882 /nfs/dbraw/zinc/36/08/82/854360882.db2.gz ADGFOEZXBSMFNN-UHFFFAOYSA-N 1 0 410.474 4.149 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)cc2)CC1 ZINC000301352477 854368353 /nfs/dbraw/zinc/36/83/53/854368353.db2.gz KNMNMMOEGYZAOE-UHFFFAOYSA-N 1 0 424.501 4.395 20 5 HIBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301433486 854393506 /nfs/dbraw/zinc/39/35/06/854393506.db2.gz RCPQYYRUILTVLW-OXJNMPFZSA-N 1 0 416.547 4.290 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@H]1c1cccs1 ZINC000301449142 854397977 /nfs/dbraw/zinc/39/79/77/854397977.db2.gz WROXVCAMOGKOQZ-KUHUBIRLSA-N 1 0 416.503 4.108 20 5 HIBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301876408 854482470 /nfs/dbraw/zinc/48/24/70/854482470.db2.gz IVRILXURRCUPQS-LBPRGKRZSA-N 1 0 411.325 4.138 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000301936909 854498357 /nfs/dbraw/zinc/49/83/57/854498357.db2.gz QOPHPWUYOMECBC-AWEZNQCLSA-N 1 0 423.560 4.046 20 5 HIBDRO C[NH+](C)C1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3Br)cc2)CC1 ZINC000302009014 854515293 /nfs/dbraw/zinc/51/52/93/854515293.db2.gz XOGBSQONOANHBL-UHFFFAOYSA-N 1 0 420.311 4.026 20 5 HIBDRO Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302145321 854537226 /nfs/dbraw/zinc/53/72/26/854537226.db2.gz GJWHIYYTJQEHOH-UHFFFAOYSA-N 1 0 408.433 4.446 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1OCc1ccccc1 ZINC000302169194 854541313 /nfs/dbraw/zinc/54/13/13/854541313.db2.gz LCPJWMPUNLRIFM-UYAOXDASSA-N 1 0 408.502 4.022 20 5 HIBDRO C[C@@]1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCC[N@@H+]1Cc1ccccc1 ZINC000302389616 854567388 /nfs/dbraw/zinc/56/73/88/854567388.db2.gz HZSBVAKNOJVXII-QFIPXVFZSA-N 1 0 410.474 4.018 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2[N+](=O)[O-])n1 ZINC000302607838 854591227 /nfs/dbraw/zinc/59/12/27/854591227.db2.gz HEVFRTVUTIMOHE-UHFFFAOYSA-N 1 0 420.560 4.114 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)c2c(c1)COCO2 ZINC000303434861 854935760 /nfs/dbraw/zinc/93/57/60/854935760.db2.gz DFVRESJCJAWBOI-UHFFFAOYSA-N 1 0 411.433 4.461 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000303629156 855087064 /nfs/dbraw/zinc/08/70/64/855087064.db2.gz TVLJFFUWJYEMKC-UHFFFAOYSA-N 1 0 409.486 4.335 20 5 HIBDRO C[C@H]1C[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000303747776 855170020 /nfs/dbraw/zinc/17/00/20/855170020.db2.gz KOCBSNDTVZFVPN-PXNSSMCTSA-N 1 0 421.501 4.130 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000303782283 855195644 /nfs/dbraw/zinc/19/56/44/855195644.db2.gz SRCXRQFIITVTDP-SJLPKXTDSA-N 1 0 413.543 4.442 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000303782284 855195791 /nfs/dbraw/zinc/19/57/91/855195791.db2.gz SRCXRQFIITVTDP-WMZOPIPTSA-N 1 0 413.543 4.442 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000303782281 855196119 /nfs/dbraw/zinc/19/61/19/855196119.db2.gz SRCXRQFIITVTDP-AEFFLSMTSA-N 1 0 413.543 4.442 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000410155246 855841934 /nfs/dbraw/zinc/84/19/34/855841934.db2.gz AFNZMOBXVVWOEO-QZTJIDSGSA-N 1 0 410.518 4.072 20 5 HIBDRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425971628 856023028 /nfs/dbraw/zinc/02/30/28/856023028.db2.gz RBBTZKZSSAAIAF-UHFFFAOYSA-N 1 0 422.533 4.171 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995114 856035437 /nfs/dbraw/zinc/03/54/37/856035437.db2.gz KBBXCZJZUWUIGF-FXAWDEMLSA-N 1 0 408.502 4.104 20 5 HIBDRO C[C@H](NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000426135774 856130407 /nfs/dbraw/zinc/13/04/07/856130407.db2.gz IMDDDXMJBPZKSS-KRWDZBQOSA-N 1 0 412.490 4.342 20 5 HIBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426511714 856327389 /nfs/dbraw/zinc/32/73/89/856327389.db2.gz UGAWRWSLRXFPKN-FQEVSTJZSA-N 1 0 414.893 4.468 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426715560 856431062 /nfs/dbraw/zinc/43/10/62/856431062.db2.gz RSVCBSWZMLGBQL-UHFFFAOYSA-N 1 0 423.513 4.311 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCN(c4cccnn4)CC3)o2)c(Cl)c1 ZINC000428561344 857267112 /nfs/dbraw/zinc/26/71/12/857267112.db2.gz RCGBXNRUJSHCBA-UHFFFAOYSA-N 1 0 413.865 4.057 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000437584765 862899640 /nfs/dbraw/zinc/89/96/40/862899640.db2.gz XZQMYSLSGSZHJS-SFHVURJKSA-N 1 0 424.419 4.060 20 5 HIBDRO CC1(C)CC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000429055975 857481917 /nfs/dbraw/zinc/48/19/17/857481917.db2.gz VIZHGBRJMDCOEO-UHFFFAOYSA-N 1 0 411.502 4.213 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429209789 857556421 /nfs/dbraw/zinc/55/64/21/857556421.db2.gz FXYLJOJZLHDZPW-UHFFFAOYSA-N 1 0 402.882 4.160 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H]([NH2+][C@H]2Cc3cccc(O)c3C2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000429235347 857566480 /nfs/dbraw/zinc/56/64/80/857566480.db2.gz IQMOSLDZDVPBOD-MBSDFSHPSA-N 1 0 417.465 4.046 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000430813480 858314048 /nfs/dbraw/zinc/31/40/48/858314048.db2.gz DWQMBCWRIDLBDT-XJKSGUPXSA-N 1 0 401.429 4.244 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000430992271 858395486 /nfs/dbraw/zinc/39/54/86/858395486.db2.gz XZOXDXLFGXSROX-HNNXBMFYSA-N 1 0 401.488 4.031 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000430992273 858395685 /nfs/dbraw/zinc/39/56/85/858395685.db2.gz XZOXDXLFGXSROX-OAHLLOKOSA-N 1 0 401.488 4.031 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431335700 858570973 /nfs/dbraw/zinc/57/09/73/858570973.db2.gz DZRVWIZYZIHHOX-CABCVRRESA-N 1 0 424.339 4.084 20 5 HIBDRO Cc1c(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000431897537 858861201 /nfs/dbraw/zinc/86/12/01/858861201.db2.gz CMRUCQIUTGAYDP-UHFFFAOYSA-N 1 0 422.529 4.101 20 5 HIBDRO C[N@H+](CCOc1cccc(CNc2c(Cl)cccc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000432349001 859114954 /nfs/dbraw/zinc/11/49/54/859114954.db2.gz TYSQDMMJIAFDME-UHFFFAOYSA-N 1 0 419.909 4.350 20 5 HIBDRO CC1(C)C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433164115 859548360 /nfs/dbraw/zinc/54/83/60/859548360.db2.gz QNHSGUKDOYRHQV-FGZHOGPDSA-N 1 0 407.514 4.141 20 5 HIBDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434853644 860523599 /nfs/dbraw/zinc/52/35/99/860523599.db2.gz BGGOXQSVKQDAMI-UHFFFAOYSA-N 1 0 409.421 4.330 20 5 HIBDRO Cc1c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cccc1[N+](=O)[O-] ZINC000435646591 860932285 /nfs/dbraw/zinc/93/22/85/860932285.db2.gz QNIYUUCKEZIPIX-UHFFFAOYSA-N 1 0 406.486 4.263 20 5 HIBDRO C[NH+](C)C1(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCCCCC1 ZINC000435837959 861099779 /nfs/dbraw/zinc/09/97/79/861099779.db2.gz VJPBFDRVCVFKAN-UHFFFAOYSA-N 1 0 409.505 4.205 20 5 HIBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437936349 863312387 /nfs/dbraw/zinc/31/23/87/863312387.db2.gz VFQDCOYVEFWBAY-NRFANRHFSA-N 1 0 408.502 4.106 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437970296 863340559 /nfs/dbraw/zinc/34/05/59/863340559.db2.gz MMPXKPDIDAPXRN-UHFFFAOYSA-N 1 0 400.523 4.066 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438320105 863798946 /nfs/dbraw/zinc/79/89/46/863798946.db2.gz BULWUUUAXDAVTR-FQEVSTJZSA-N 1 0 400.523 4.066 20 5 HIBDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000467867115 881722433 /nfs/dbraw/zinc/72/24/33/881722433.db2.gz NSWPYZUVEFIJPI-MRXNPFEDSA-N 1 0 405.458 4.162 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000439884862 865196372 /nfs/dbraw/zinc/19/63/72/865196372.db2.gz XDWIBPWGAIOVEC-WMZOPIPTSA-N 1 0 412.490 4.168 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000439889427 865201365 /nfs/dbraw/zinc/20/13/65/865201365.db2.gz BBRQKTFFAJEVAQ-UHFFFAOYSA-N 1 0 412.490 4.122 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000439898991 865211409 /nfs/dbraw/zinc/21/14/09/865211409.db2.gz JCGFEVGYQBDKGD-APWZRJJASA-N 1 0 412.490 4.026 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000439906484 865215446 /nfs/dbraw/zinc/21/54/46/865215446.db2.gz YPEIRARKUSUGIR-KRWDZBQOSA-N 1 0 412.490 4.122 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468037004 881867708 /nfs/dbraw/zinc/86/77/08/881867708.db2.gz LJGXYHJBWVTHIQ-NSHDSACASA-N 1 0 412.273 4.417 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000468052194 881877417 /nfs/dbraw/zinc/87/74/17/881877417.db2.gz RNZWLFSIZFJEHO-CZUORRHYSA-N 1 0 407.392 4.065 20 5 HIBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441062675 866142511 /nfs/dbraw/zinc/14/25/11/866142511.db2.gz NMVJGDFNOPFYNB-FUHWJXTLSA-N 1 0 411.527 4.302 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443313451 867898904 /nfs/dbraw/zinc/89/89/04/867898904.db2.gz AWXITSATLKQUSH-MRVPVSSYSA-N 1 0 418.700 4.362 20 5 HIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c2ccncc21 ZINC000443941799 868477573 /nfs/dbraw/zinc/47/75/73/868477573.db2.gz PELMGAQWGWPHLE-UHFFFAOYSA-N 1 0 410.449 4.237 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000443943657 868480308 /nfs/dbraw/zinc/48/03/08/868480308.db2.gz CKSYUTCLWUZSFB-UHFFFAOYSA-N 1 0 410.518 4.384 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444177340 868649707 /nfs/dbraw/zinc/64/97/07/868649707.db2.gz UZYJEEGTGNGAMF-WMZOPIPTSA-N 1 0 408.458 4.245 20 5 HIBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444745220 868984407 /nfs/dbraw/zinc/98/44/07/868984407.db2.gz SRNRLRNHMUEWEX-CQSZACIVSA-N 1 0 423.313 4.059 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000444803074 869017110 /nfs/dbraw/zinc/01/71/10/869017110.db2.gz NCVADBZIVTYYBG-SJORKVTESA-N 1 0 416.522 4.141 20 5 HIBDRO CC[NH+](CC)Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000445530455 869586505 /nfs/dbraw/zinc/58/65/05/869586505.db2.gz ZTDYFPFFPKGFBA-UHFFFAOYSA-N 1 0 420.307 4.380 20 5 HIBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000446001970 869965810 /nfs/dbraw/zinc/96/58/10/869965810.db2.gz CWWFJOYLAFTXMJ-NVXWUHKLSA-N 1 0 418.291 4.222 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000446099576 870047163 /nfs/dbraw/zinc/04/71/63/870047163.db2.gz NEKFLEJMOOOLTN-UHFFFAOYSA-N 1 0 401.894 4.259 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000447517315 871385484 /nfs/dbraw/zinc/38/54/84/871385484.db2.gz KLKYOOCGMCKIRB-PMACEKPBSA-N 1 0 417.941 4.183 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000447533455 871397771 /nfs/dbraw/zinc/39/77/71/871397771.db2.gz XNZDVNLUDVXLDM-QHCPKHFHSA-N 1 0 423.513 4.265 20 5 HIBDRO CCCCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447533842 871398348 /nfs/dbraw/zinc/39/83/48/871398348.db2.gz YVONTTPJVACTBW-ZWKOTPCHSA-N 1 0 402.495 4.252 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000447570036 871468543 /nfs/dbraw/zinc/46/85/43/871468543.db2.gz RHCCBINECHPDIY-HZPDHXFCSA-N 1 0 411.531 4.376 20 5 HIBDRO COc1cc(OC)cc([C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000468510539 882512059 /nfs/dbraw/zinc/51/20/59/882512059.db2.gz GZTJJTUZRAXDBF-ZHRRBRCNSA-N 1 0 424.501 4.046 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)cc3c1OCC3)CCC2 ZINC000447601414 871506160 /nfs/dbraw/zinc/50/61/60/871506160.db2.gz PYCFGGSOYAHDAP-GOSISDBHSA-N 1 0 403.276 4.459 20 5 HIBDRO O=C1[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccc(F)cc1F ZINC000447599976 871506653 /nfs/dbraw/zinc/50/66/53/871506653.db2.gz LEPJLBCDFCTNIO-SFTDATJTSA-N 1 0 415.440 4.031 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000447673600 871604080 /nfs/dbraw/zinc/60/40/80/871604080.db2.gz UVQOUQODLMZZDR-GFCCVEGCSA-N 1 0 408.371 4.099 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC1CCN(c2ccccn2)CC1 ZINC000447674339 871606318 /nfs/dbraw/zinc/60/63/18/871606318.db2.gz BSSBBFLZRBMOJC-UHFFFAOYSA-N 1 0 417.338 4.120 20 5 HIBDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357148 872304805 /nfs/dbraw/zinc/30/48/05/872304805.db2.gz VVQVZWYJWKWQOU-CKNLXJGOSA-N 1 0 406.866 4.277 20 5 HIBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000461469745 874526154 /nfs/dbraw/zinc/52/61/54/874526154.db2.gz PDMJBKJVWAZAEG-SFHVURJKSA-N 1 0 406.486 4.108 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000462389444 875499375 /nfs/dbraw/zinc/49/93/75/875499375.db2.gz RGMRQJLZRXOKEI-HXUWFJFHSA-N 1 0 424.545 4.253 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000462501738 875617877 /nfs/dbraw/zinc/61/78/77/875617877.db2.gz MZMQZLFVQXHTMK-RHKLGIMNSA-N 1 0 421.541 4.475 20 5 HIBDRO CC[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000463420581 876475399 /nfs/dbraw/zinc/47/53/99/876475399.db2.gz ABHIZTYDEPMPNQ-QGZVFWFLSA-N 1 0 421.419 4.180 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000463951437 877073474 /nfs/dbraw/zinc/07/34/74/877073474.db2.gz ARADMGJLBYKLSP-UHFFFAOYSA-N 1 0 412.490 4.008 20 5 HIBDRO COc1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000464677130 877894158 /nfs/dbraw/zinc/89/41/58/877894158.db2.gz LOMICPBOMILTQC-LPHOPBHVSA-N 1 0 401.482 4.227 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000464775950 878018685 /nfs/dbraw/zinc/01/86/85/878018685.db2.gz MWENJINUCCEKIO-WMZHIEFXSA-N 1 0 424.545 4.247 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464840393 878107909 /nfs/dbraw/zinc/10/79/09/878107909.db2.gz UNGAWJZUTMTHJG-HKUYNNGSSA-N 1 0 421.501 4.160 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464952418 878289667 /nfs/dbraw/zinc/28/96/67/878289667.db2.gz NKKVHUCKMDDWAM-QGZVFWFLSA-N 1 0 401.894 4.232 20 5 HIBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000464969585 878309041 /nfs/dbraw/zinc/30/90/41/878309041.db2.gz AOBIFSIBMJLHIC-IBGZPJMESA-N 1 0 409.530 4.486 20 5 HIBDRO CSc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465187111 878579569 /nfs/dbraw/zinc/57/95/69/878579569.db2.gz IHKSSLWLCAUJPP-OAHLLOKOSA-N 1 0 415.515 4.290 20 5 HIBDRO C[C@@H]1C[C@@]1([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000503409680 912391389 /nfs/dbraw/zinc/39/13/89/912391389.db2.gz VGTMNJBUKYNOSB-XCLFUZPHSA-N 1 0 401.850 4.071 20 5 HIBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000466552777 880326229 /nfs/dbraw/zinc/32/62/29/880326229.db2.gz CXMHUJWEWQUNCJ-UHFFFAOYSA-N 1 0 416.909 4.234 20 5 HIBDRO C[N@H+](C[C@@H]1CCCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140690 880883411 /nfs/dbraw/zinc/88/34/11/880883411.db2.gz ZBEYYJYRWZCJLN-YWZLYKJASA-N 1 0 417.893 4.286 20 5 HIBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320741 881068663 /nfs/dbraw/zinc/06/86/63/881068663.db2.gz DMKJMJWEVUJPAR-GCJKJVERSA-N 1 0 411.502 4.332 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377789 881152811 /nfs/dbraw/zinc/15/28/11/881152811.db2.gz PLLZMUOHVNHGFH-OPAMFIHVSA-N 1 0 400.475 4.039 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469455470 883663712 /nfs/dbraw/zinc/66/37/12/883663712.db2.gz VSAGBSAHWZZOPS-KRWDZBQOSA-N 1 0 410.396 4.346 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000469494143 883734953 /nfs/dbraw/zinc/73/49/53/883734953.db2.gz PAALRCVLDSDZCZ-MRXNPFEDSA-N 1 0 415.799 4.300 20 5 HIBDRO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccc(C(F)(F)F)c1 ZINC000469561532 883815170 /nfs/dbraw/zinc/81/51/70/883815170.db2.gz CPBFWUBQRQUBQG-SFHVURJKSA-N 1 0 422.407 4.213 20 5 HIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(-n2ccnc2)c1 ZINC000469778666 883953752 /nfs/dbraw/zinc/95/37/52/883953752.db2.gz FNJXFBQZBVTUPF-INIZCTEOSA-N 1 0 403.442 4.329 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000470181362 884469161 /nfs/dbraw/zinc/46/91/61/884469161.db2.gz BQUYYRJPAYCSPQ-SSZFMOIBSA-N 1 0 405.458 4.323 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000470642703 885067491 /nfs/dbraw/zinc/06/74/91/885067491.db2.gz RSTMVGQBVFYJCW-UHFFFAOYSA-N 1 0 414.428 4.138 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000471058330 885573977 /nfs/dbraw/zinc/57/39/77/885573977.db2.gz YYGZPASKCZAZDX-IEBWSBKVSA-N 1 0 411.502 4.024 20 5 HIBDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC[N@@H+]2C2CC2)c1 ZINC000471926464 886718377 /nfs/dbraw/zinc/71/83/77/886718377.db2.gz DGWHQYHCXJZXHT-SFTDATJTSA-N 1 0 410.474 4.011 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000472502709 887370843 /nfs/dbraw/zinc/37/08/43/887370843.db2.gz OXZRSIXIKPJJSO-QVDMIQRCSA-N 1 0 401.894 4.135 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000472516204 887386450 /nfs/dbraw/zinc/38/64/50/887386450.db2.gz LALGLGRLIUIIOA-HZPDHXFCSA-N 1 0 413.543 4.203 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472619961 887487910 /nfs/dbraw/zinc/48/79/10/887487910.db2.gz DWIDSXGBLAYXQD-QHCPKHFHSA-N 1 0 409.486 4.202 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000473269204 888027721 /nfs/dbraw/zinc/02/77/21/888027721.db2.gz AGIUBSOZUCRRLR-RTBURBONSA-N 1 0 424.545 4.060 20 5 HIBDRO CCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473492434 888213533 /nfs/dbraw/zinc/21/35/33/888213533.db2.gz ATORAEDFKCJZAS-DEOSSOPVSA-N 1 0 407.514 4.286 20 5 HIBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473503254 888229549 /nfs/dbraw/zinc/22/95/49/888229549.db2.gz MLFJRNLTTSPVKA-QFIPXVFZSA-N 1 0 413.905 4.377 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473526181 888263303 /nfs/dbraw/zinc/26/33/03/888263303.db2.gz XVIBEBGMTKTAAW-UHFFFAOYSA-N 1 0 413.440 4.055 20 5 HIBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000474152376 888982996 /nfs/dbraw/zinc/98/29/96/888982996.db2.gz RCAFTVDCVQYOSA-SFHVURJKSA-N 1 0 410.518 4.153 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000474356674 889234750 /nfs/dbraw/zinc/23/47/50/889234750.db2.gz SCVIWMQFUCBBQX-XMMPIXPASA-N 1 0 420.465 4.334 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)cc1[N+](=O)[O-] ZINC000474379421 889254242 /nfs/dbraw/zinc/25/42/42/889254242.db2.gz QSHPLXQGMOCEKZ-JOCHJYFZSA-N 1 0 416.449 4.307 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000475204250 890075145 /nfs/dbraw/zinc/07/51/45/890075145.db2.gz OIABIALJTXXLCE-UHFFFAOYSA-N 1 0 422.407 4.353 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[NH+]1CCCC1 ZINC000475557703 890485636 /nfs/dbraw/zinc/48/56/36/890485636.db2.gz BFDAOJXNIXTZFL-FQEVSTJZSA-N 1 0 412.490 4.179 20 5 HIBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000475565786 890496315 /nfs/dbraw/zinc/49/63/15/890496315.db2.gz MYCPTZROHFILIC-HNNXBMFYSA-N 1 0 412.442 4.476 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000475644233 890587151 /nfs/dbraw/zinc/58/71/51/890587151.db2.gz YZIDLRYVCFJKNR-DNVCBOLYSA-N 1 0 402.520 4.478 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475701431 890639853 /nfs/dbraw/zinc/63/98/53/890639853.db2.gz LSAPDXJRWDOJOU-VXGBXAGGSA-N 1 0 401.394 4.167 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000504896194 913627891 /nfs/dbraw/zinc/62/78/91/913627891.db2.gz XFSAICONAUGLHW-HXUWFJFHSA-N 1 0 415.559 4.088 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504911314 913645226 /nfs/dbraw/zinc/64/52/26/913645226.db2.gz DPLRCILOLNPMGE-WIYYLYMNSA-N 1 0 413.518 4.026 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504911313 913645507 /nfs/dbraw/zinc/64/55/07/913645507.db2.gz DPLRCILOLNPMGE-RXVVDRJESA-N 1 0 413.518 4.026 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000504912048 913646897 /nfs/dbraw/zinc/64/68/97/913646897.db2.gz PHYKSYCFNNVGGZ-KRWDZBQOSA-N 1 0 406.479 4.303 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OC)c(NC(C)=O)c1 ZINC000504912703 913647175 /nfs/dbraw/zinc/64/71/75/913647175.db2.gz ZSVSLAGHFRUZKX-INIZCTEOSA-N 1 0 403.504 4.222 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000504929427 913667936 /nfs/dbraw/zinc/66/79/36/913667936.db2.gz IRRWKNFELZDMMA-KRWDZBQOSA-N 1 0 400.548 4.115 20 5 HIBDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000477723509 892827307 /nfs/dbraw/zinc/82/73/07/892827307.db2.gz JUEZMKUXEPGYGD-TZIWHRDSSA-N 1 0 402.516 4.086 20 5 HIBDRO CC(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+]1CCC(C)CC1 ZINC000478288454 893499707 /nfs/dbraw/zinc/49/97/07/893499707.db2.gz QWPDUDKHHMGVCU-XMMPIXPASA-N 1 0 419.569 4.027 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000478941139 894222784 /nfs/dbraw/zinc/22/27/84/894222784.db2.gz STAQPMDHGUIEHY-IBGZPJMESA-N 1 0 401.532 4.376 20 5 HIBDRO CCOc1ccc([C@H](C)N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000479509730 894823454 /nfs/dbraw/zinc/82/34/54/894823454.db2.gz COAHKDDLKUVVHN-WFASDCNBSA-N 1 0 414.380 4.276 20 5 HIBDRO COc1cc(CN2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000505302552 913963369 /nfs/dbraw/zinc/96/33/69/913963369.db2.gz WODMCYBPMNAUDQ-UHFFFAOYSA-N 1 0 413.518 4.099 20 5 HIBDRO Cc1c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480073991 895426340 /nfs/dbraw/zinc/42/63/40/895426340.db2.gz XXIAAPNRFBBGRQ-GMAHTHKFSA-N 1 0 422.529 4.099 20 5 HIBDRO C[C@H](O)[C@](C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000480459190 895844966 /nfs/dbraw/zinc/84/49/66/895844966.db2.gz HFHSMTUFQWDLAJ-AOMKIAJQSA-N 1 0 411.527 4.438 20 5 HIBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481283350 896629913 /nfs/dbraw/zinc/62/99/13/896629913.db2.gz LTWJIJCPSCKKJY-ROUUACIJSA-N 1 0 415.877 4.397 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481394045 896800863 /nfs/dbraw/zinc/80/08/63/896800863.db2.gz UDOJAKMVCDRBPD-VOJFVSQTSA-N 1 0 412.273 4.206 20 5 HIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000481442734 896840615 /nfs/dbraw/zinc/84/06/15/896840615.db2.gz NLNHOLPNFGYXHL-JLTOFOAXSA-N 1 0 405.882 4.251 20 5 HIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000481527669 896889476 /nfs/dbraw/zinc/88/94/76/896889476.db2.gz KMGFXYGCQGYRSS-JLTOFOAXSA-N 1 0 405.882 4.251 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000481527672 896890873 /nfs/dbraw/zinc/89/08/73/896890873.db2.gz KMGFXYGCQGYRSS-XOBRGWDASA-N 1 0 405.882 4.251 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481872899 897243509 /nfs/dbraw/zinc/24/35/09/897243509.db2.gz JFTBAAAYFVJLLT-RXVVDRJESA-N 1 0 419.481 4.468 20 5 HIBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000481942553 897328867 /nfs/dbraw/zinc/32/88/67/897328867.db2.gz GVFFYRJRPKWURA-UHFFFAOYSA-N 1 0 416.909 4.074 20 5 HIBDRO CCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCc2sccc2C1 ZINC000482246825 897730016 /nfs/dbraw/zinc/73/00/16/897730016.db2.gz LFPUXBZVEOOISR-YJBOKZPZSA-N 1 0 401.532 4.369 20 5 HIBDRO COCC1=CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000482489493 898068871 /nfs/dbraw/zinc/06/88/71/898068871.db2.gz UGCDXWLCINBFMQ-UHFFFAOYSA-N 1 0 407.264 4.396 20 5 HIBDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496669 898077661 /nfs/dbraw/zinc/07/76/61/898077661.db2.gz RWYKYFOTBCFLJZ-HOCLYGCPSA-N 1 0 422.865 4.051 20 5 HIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000482534672 898121242 /nfs/dbraw/zinc/12/12/42/898121242.db2.gz JUFCDYBTENLLPE-IRXDYDNUSA-N 1 0 400.498 4.206 20 5 HIBDRO Cc1nn(Cc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000482589443 898187937 /nfs/dbraw/zinc/18/79/37/898187937.db2.gz YDWPHMPGTDOSTO-UHFFFAOYSA-N 1 0 421.501 4.079 20 5 HIBDRO C[C@H](NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709887 898309594 /nfs/dbraw/zinc/30/95/94/898309594.db2.gz UOFSKMJVGTZUHO-IRXDYDNUSA-N 1 0 403.548 4.067 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482762961 898369867 /nfs/dbraw/zinc/36/98/67/898369867.db2.gz ZVJLPPUVZGNPGP-WIYYLYMNSA-N 1 0 424.501 4.122 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482803010 898413293 /nfs/dbraw/zinc/41/32/93/898413293.db2.gz XBVSLLDGSWILFY-KNQAVFIVSA-N 1 0 408.502 4.422 20 5 HIBDRO Cc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000482889360 898505898 /nfs/dbraw/zinc/50/58/98/898505898.db2.gz MBFVSNBSESTIFM-INIZCTEOSA-N 1 0 421.501 4.225 20 5 HIBDRO Cc1cccc(CC2(O)CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000482949405 898576191 /nfs/dbraw/zinc/57/61/91/898576191.db2.gz UGIHSULHDWWMRE-UHFFFAOYSA-N 1 0 421.497 4.170 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1SC ZINC000483328624 898957071 /nfs/dbraw/zinc/95/70/71/898957071.db2.gz XFNKBHWWIPGYEB-UHFFFAOYSA-N 1 0 415.515 4.216 20 5 HIBDRO C[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000483331579 898960219 /nfs/dbraw/zinc/96/02/19/898960219.db2.gz SJDTZTCBNAEYLE-CYBMUJFWSA-N 1 0 422.420 4.035 20 5 HIBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483596859 899246735 /nfs/dbraw/zinc/24/67/35/899246735.db2.gz WCNVLEAJQDTTSN-TZIWHRDSSA-N 1 0 418.497 4.203 20 5 HIBDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000484648128 900092969 /nfs/dbraw/zinc/09/29/69/900092969.db2.gz CPGONTVMQACHCS-VQTJNVASSA-N 1 0 408.458 4.433 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000484818525 900220824 /nfs/dbraw/zinc/22/08/24/900220824.db2.gz HFCMNBIQEOBNMB-MRXNPFEDSA-N 1 0 401.532 4.232 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000484818524 900221113 /nfs/dbraw/zinc/22/11/13/900221113.db2.gz HFCMNBIQEOBNMB-INIZCTEOSA-N 1 0 401.532 4.232 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1cccc(OC)c1 ZINC000485757352 901015039 /nfs/dbraw/zinc/01/50/39/901015039.db2.gz MOWHWRNBLPDTIO-GOSISDBHSA-N 1 0 417.531 4.138 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000485946567 901167340 /nfs/dbraw/zinc/16/73/40/901167340.db2.gz WOYHDFOBYUATNO-UHFFFAOYSA-N 1 0 414.462 4.270 20 5 HIBDRO Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000486009072 901221715 /nfs/dbraw/zinc/22/17/15/901221715.db2.gz RXSYJVDHYYTYPR-UHFFFAOYSA-N 1 0 403.389 4.091 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486427348 901585551 /nfs/dbraw/zinc/58/55/51/901585551.db2.gz WUNVSZPLXWPXPP-GOSISDBHSA-N 1 0 413.543 4.301 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487810587 902378884 /nfs/dbraw/zinc/37/88/84/902378884.db2.gz RWFLRDLVWYKGEH-ROUUACIJSA-N 1 0 405.564 4.190 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487847060 902405642 /nfs/dbraw/zinc/40/56/42/902405642.db2.gz ZLPORBVAYRGVEI-BBTUJRGHSA-N 1 0 410.518 4.174 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000487852751 902407109 /nfs/dbraw/zinc/40/71/09/902407109.db2.gz BYEURXJUTQNXDX-GOSISDBHSA-N 1 0 404.536 4.274 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488458398 902835069 /nfs/dbraw/zinc/83/50/69/902835069.db2.gz BZGDFZYJNMVWMY-KXBFYZLASA-N 1 0 409.511 4.450 20 5 HIBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@@H]21 ZINC000488467209 902839639 /nfs/dbraw/zinc/83/96/39/902839639.db2.gz WWQUQOPGZOORRB-UTKZUKDTSA-N 1 0 411.527 4.302 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000488498712 902856776 /nfs/dbraw/zinc/85/67/76/902856776.db2.gz MRVIBIAYNXYYGY-XGHQBKJUSA-N 1 0 413.543 4.102 20 5 HIBDRO O=C1CCc2cc([N+](=O)[O-])c(NCc3cccc(C[NH+]4CCCCCC4)c3)cc2N1 ZINC000489178945 903246014 /nfs/dbraw/zinc/24/60/14/903246014.db2.gz XTGPVHBBTIELQG-UHFFFAOYSA-N 1 0 408.502 4.468 20 5 HIBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000489280525 903303709 /nfs/dbraw/zinc/30/37/09/903303709.db2.gz QWQUYIXAJCGTOO-UHFFFAOYSA-N 1 0 403.866 4.365 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489486770 903414986 /nfs/dbraw/zinc/41/49/86/903414986.db2.gz SIGWVAXBTZMKKD-FXAWDEMLSA-N 1 0 410.518 4.040 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000489605467 903493544 /nfs/dbraw/zinc/49/35/44/903493544.db2.gz BNNYETJIZCRJBG-ZWKOTPCHSA-N 1 0 410.518 4.489 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000489605465 903494545 /nfs/dbraw/zinc/49/45/45/903494545.db2.gz BNNYETJIZCRJBG-ROUUACIJSA-N 1 0 410.518 4.489 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1)C(C)C ZINC000489759055 903584261 /nfs/dbraw/zinc/58/42/61/903584261.db2.gz XCLZFSCYUYQBGJ-UHFFFAOYSA-N 1 0 413.474 4.172 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489784137 903596814 /nfs/dbraw/zinc/59/68/14/903596814.db2.gz ZPSUPNGZBYQVQG-UHFFFAOYSA-N 1 0 422.529 4.455 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489807501 903605293 /nfs/dbraw/zinc/60/52/93/903605293.db2.gz KPIMPNMDYSSOJU-UHFFFAOYSA-N 1 0 408.502 4.065 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489868843 903639897 /nfs/dbraw/zinc/63/98/97/903639897.db2.gz FVYSPSAHDYQVKX-QFIPXVFZSA-N 1 0 408.502 4.106 20 5 HIBDRO C[C@@H](OC[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451343 904017607 /nfs/dbraw/zinc/01/76/07/904017607.db2.gz GMGJRHBEABEBJX-QVKFZJNVSA-N 1 0 404.894 4.351 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc(Cl)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491058479 904400647 /nfs/dbraw/zinc/40/06/47/904400647.db2.gz HGJMEHCTAQSVHY-UHFFFAOYSA-N 1 0 406.838 4.295 20 5 HIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000491143768 904453283 /nfs/dbraw/zinc/45/32/83/904453283.db2.gz YTYQWHZSTWQSPN-OAHLLOKOSA-N 1 0 400.385 4.303 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000491377185 904566856 /nfs/dbraw/zinc/56/68/56/904566856.db2.gz VIBINUKVVROLKX-SFHVURJKSA-N 1 0 411.502 4.168 20 5 HIBDRO Cc1ccc([C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000491421912 904588296 /nfs/dbraw/zinc/58/82/96/904588296.db2.gz FUFUEBDVGWRFJS-UPVQGACJSA-N 1 0 421.497 4.249 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc5ccccn54)C3)o2)c1 ZINC000506152338 914826238 /nfs/dbraw/zinc/82/62/38/914826238.db2.gz DNFQBCYBFYCSOW-QGZVFWFLSA-N 1 0 403.442 4.277 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960275 904966281 /nfs/dbraw/zinc/96/62/81/904966281.db2.gz LUYQVWKJJAEBDR-RTBURBONSA-N 1 0 410.518 4.270 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000493081553 905014463 /nfs/dbraw/zinc/01/44/63/905014463.db2.gz RHERSMYTDLGHNK-GBESFXJTSA-N 1 0 402.539 4.260 20 5 HIBDRO O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493299884 905078373 /nfs/dbraw/zinc/07/83/73/905078373.db2.gz BQSOVDRDCLLOPT-GMAHTHKFSA-N 1 0 407.514 4.455 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345120 905092266 /nfs/dbraw/zinc/09/22/66/905092266.db2.gz VVWXZARUMMHFDQ-UZLBHIALSA-N 1 0 411.527 4.221 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000493875564 905237749 /nfs/dbraw/zinc/23/77/49/905237749.db2.gz QOTKPIRGWDEEFO-OAHLLOKOSA-N 1 0 419.407 4.078 20 5 HIBDRO COc1cc(C[NH2+]Cc2cccc3cccnc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000494029061 905372167 /nfs/dbraw/zinc/37/21/67/905372167.db2.gz OGNKJQOFSBCBJX-UHFFFAOYSA-N 1 0 403.385 4.085 20 5 HIBDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000494037369 905379008 /nfs/dbraw/zinc/37/90/08/905379008.db2.gz GTAMRPWTIDMUCI-URXFXBBRSA-N 1 0 417.513 4.295 20 5 HIBDRO C[C@@H]1OCC[C@@]1(C)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494251962 905578111 /nfs/dbraw/zinc/57/81/11/905578111.db2.gz UPSVDOTWLSNOTD-YHJVDBJQSA-N 1 0 403.866 4.085 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)c2C1 ZINC000494492808 905779204 /nfs/dbraw/zinc/77/92/04/905779204.db2.gz DZAAPSSAIYDACL-UHFFFAOYSA-N 1 0 420.469 4.132 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494653035 905885204 /nfs/dbraw/zinc/88/52/04/905885204.db2.gz ZBDLMVMRRVSNBI-DJJJIMSYSA-N 1 0 416.465 4.178 20 5 HIBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000495145048 906270443 /nfs/dbraw/zinc/27/04/43/906270443.db2.gz NTIWMNYWMQVMLE-UHFFFAOYSA-N 1 0 416.909 4.028 20 5 HIBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000512552484 921231095 /nfs/dbraw/zinc/23/10/95/921231095.db2.gz PBEINAQOVVWKIU-UHFFFAOYSA-N 1 0 413.440 4.390 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000495428413 906446824 /nfs/dbraw/zinc/44/68/24/906446824.db2.gz YXYCZSSGVQTJGJ-UHFFFAOYSA-N 1 0 405.564 4.435 20 5 HIBDRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000495434423 906448757 /nfs/dbraw/zinc/44/87/57/906448757.db2.gz RSPJAWNBSKPVDE-UHFFFAOYSA-N 1 0 422.312 4.339 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)CSc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000512570923 921243280 /nfs/dbraw/zinc/24/32/80/921243280.db2.gz XDORDNOUNANDOU-PKOBYXMFSA-N 1 0 413.543 4.104 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000512758542 921302544 /nfs/dbraw/zinc/30/25/44/921302544.db2.gz HLAMZAOXQIELIZ-ZDUSSCGKSA-N 1 0 422.407 4.166 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2cccs2)CC1 ZINC000497781652 907274051 /nfs/dbraw/zinc/27/40/51/907274051.db2.gz ZLWJPMBQSWLTGM-IBGZPJMESA-N 1 0 424.526 4.408 20 5 HIBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498140332 907660808 /nfs/dbraw/zinc/66/08/08/907660808.db2.gz MSSZTGOIZACTIX-SFHVURJKSA-N 1 0 422.510 4.113 20 5 HIBDRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498150826 907674829 /nfs/dbraw/zinc/67/48/29/907674829.db2.gz ZSNIMENTOZAVLD-JOCHJYFZSA-N 1 0 411.527 4.469 20 5 HIBDRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498150829 907675128 /nfs/dbraw/zinc/67/51/28/907675128.db2.gz ZSNIMENTOZAVLD-QFIPXVFZSA-N 1 0 411.527 4.469 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCCC2)cc1 ZINC000498186899 907720941 /nfs/dbraw/zinc/72/09/41/907720941.db2.gz CKQZQVUFWIUZIS-NRFANRHFSA-N 1 0 404.470 4.018 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000498401268 907882480 /nfs/dbraw/zinc/88/24/80/907882480.db2.gz QORQQGPAMXADJT-HOTGVXAUSA-N 1 0 416.547 4.206 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000498401757 907882979 /nfs/dbraw/zinc/88/29/79/907882979.db2.gz TWLWULDJSACHGT-HOTGVXAUSA-N 1 0 416.547 4.206 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1Cc1ccccc1 ZINC000498416580 907891614 /nfs/dbraw/zinc/89/16/14/907891614.db2.gz CMNCXDFGCUHLPN-IEBWSBKVSA-N 1 0 418.497 4.174 20 5 HIBDRO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498718731 908143643 /nfs/dbraw/zinc/14/36/43/908143643.db2.gz TXMAFJRBSJGGKI-AZUAARDMSA-N 1 0 422.529 4.179 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(I)c(Cl)c2)cc1 ZINC000500440918 909859247 /nfs/dbraw/zinc/85/92/47/909859247.db2.gz NUVUDQYJQSTPEE-UHFFFAOYSA-N 1 0 402.619 4.143 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000513145453 921583121 /nfs/dbraw/zinc/58/31/21/921583121.db2.gz UCMTVZZZUQUEFT-UBLGTCEWSA-N 1 0 405.539 4.085 20 5 HIBDRO C[C@H]([NH2+]CC1(c2c(F)cccc2F)CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501980016 910962283 /nfs/dbraw/zinc/96/22/83/910962283.db2.gz HUULYIWIWQQHHA-AWEZNQCLSA-N 1 0 403.429 4.302 20 5 HIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329056 911307445 /nfs/dbraw/zinc/30/74/45/911307445.db2.gz DBFGPZHRAHTOBE-YJBOKZPZSA-N 1 0 411.506 4.387 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000506304775 914896107 /nfs/dbraw/zinc/89/61/07/914896107.db2.gz KQENTQZQHNENRO-GOSISDBHSA-N 1 0 402.539 4.262 20 5 HIBDRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000506491963 915098682 /nfs/dbraw/zinc/09/86/82/915098682.db2.gz BHTRORBCWOOZTI-UHFFFAOYSA-N 1 0 421.856 4.117 20 5 HIBDRO CC[NH+]1CCC(N(C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000506688517 915366806 /nfs/dbraw/zinc/36/68/06/915366806.db2.gz HKHVGWUPGOINHJ-UHFFFAOYSA-N 1 0 413.518 4.099 20 5 HIBDRO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507489043 916257090 /nfs/dbraw/zinc/25/70/90/916257090.db2.gz CPNMCQVHNZJKEB-HUUCEWRRSA-N 1 0 403.504 4.011 20 5 HIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507650713 916410661 /nfs/dbraw/zinc/41/06/61/916410661.db2.gz MVTGRVUZLKFGNN-UHFFFAOYSA-N 1 0 411.502 4.120 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000507915309 916792755 /nfs/dbraw/zinc/79/27/55/916792755.db2.gz SLBCRJCOVBYFAP-UHFFFAOYSA-N 1 0 412.515 4.362 20 5 HIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000507920604 916800421 /nfs/dbraw/zinc/80/04/21/916800421.db2.gz NSHKXGHWNLMBKE-AWEZNQCLSA-N 1 0 400.385 4.303 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000507940823 916808051 /nfs/dbraw/zinc/80/80/51/916808051.db2.gz LHHOLRKGJBBHHX-UHFFFAOYSA-N 1 0 410.518 4.245 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])cc1O ZINC000507941662 916808950 /nfs/dbraw/zinc/80/89/50/916808950.db2.gz NPGSTPNJLHFXDH-UHFFFAOYSA-N 1 0 408.454 4.220 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2COc3ccccc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507942918 916809634 /nfs/dbraw/zinc/80/96/34/916809634.db2.gz VOQNIURAZANDGX-FQEVSTJZSA-N 1 0 420.465 4.276 20 5 HIBDRO O=C(CC1CCCC1)NCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000508070921 916892169 /nfs/dbraw/zinc/89/21/69/916892169.db2.gz LEHYSAODICQPFQ-UHFFFAOYSA-N 1 0 415.465 4.312 20 5 HIBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)CC1 ZINC000508498961 917284325 /nfs/dbraw/zinc/28/43/25/917284325.db2.gz SPCGOZJVRVUZRJ-UHFFFAOYSA-N 1 0 401.894 4.410 20 5 HIBDRO NC(=O)CC1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000508609419 917377845 /nfs/dbraw/zinc/37/78/45/917377845.db2.gz QEECGABIGFEKEI-UHFFFAOYSA-N 1 0 403.866 4.128 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509454846 918107360 /nfs/dbraw/zinc/10/73/60/918107360.db2.gz RWEBITMGCIWRQW-UHFFFAOYSA-N 1 0 415.877 4.375 20 5 HIBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509560456 918210807 /nfs/dbraw/zinc/21/08/07/918210807.db2.gz USHZUEVDOOMCOI-HSZRJFAPSA-N 1 0 419.529 4.092 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000509582891 918231024 /nfs/dbraw/zinc/23/10/24/918231024.db2.gz BBFOACOJPUMARP-UHFFFAOYSA-N 1 0 404.894 4.485 20 5 HIBDRO COc1cc(CNCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509609333 918257435 /nfs/dbraw/zinc/25/74/35/918257435.db2.gz PKYHXNWOBGQTNK-UHFFFAOYSA-N 1 0 413.518 4.004 20 5 HIBDRO C[C@H](NC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000509760715 918375945 /nfs/dbraw/zinc/37/59/45/918375945.db2.gz HGEQYOULUCZPEA-HBFSDRIKSA-N 1 0 410.518 4.256 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000510099613 918663131 /nfs/dbraw/zinc/66/31/31/918663131.db2.gz PFADXKOOIOZQLZ-SJLPKXTDSA-N 1 0 413.543 4.347 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510149660 918705393 /nfs/dbraw/zinc/70/53/93/918705393.db2.gz SSXFOEZEZYHDEK-WBVHZDCISA-N 1 0 401.894 4.279 20 5 HIBDRO CC[NH+](CC)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000510476579 918930423 /nfs/dbraw/zinc/93/04/23/918930423.db2.gz WOVSPXJFMBVUEP-LJQANCHMSA-N 1 0 423.435 4.355 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000511343010 919933944 /nfs/dbraw/zinc/93/39/44/919933944.db2.gz IYUPDADHWISYNP-MRXNPFEDSA-N 1 0 411.527 4.435 20 5 HIBDRO C[C@H]1C[C@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@@H+]1Cc1ccccc1 ZINC000511642886 920306507 /nfs/dbraw/zinc/30/65/07/920306507.db2.gz KNESGAHHTBJAHX-WMZOPIPTSA-N 1 0 408.502 4.192 20 5 HIBDRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000511727221 920393706 /nfs/dbraw/zinc/39/37/06/920393706.db2.gz MJLGACDQYOFVKJ-KKSFZXQISA-N 1 0 413.493 4.254 20 5 HIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H]1CCCOC1 ZINC000513457430 921821845 /nfs/dbraw/zinc/82/18/45/921821845.db2.gz XEAKZMKPUYSRGI-CYBMUJFWSA-N 1 0 409.280 4.476 20 5 HIBDRO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000513497402 921846576 /nfs/dbraw/zinc/84/65/76/921846576.db2.gz WLZOOCQNWCNLFX-GOSISDBHSA-N 1 0 406.486 4.306 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513496773 921847195 /nfs/dbraw/zinc/84/71/95/921847195.db2.gz KJKLMZUDQLECTG-GOSISDBHSA-N 1 0 400.475 4.041 20 5 HIBDRO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513638070 921961526 /nfs/dbraw/zinc/96/15/26/921961526.db2.gz OZRFCUFAFFXBIF-UHFFFAOYSA-N 1 0 418.497 4.111 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)s1 ZINC000513644168 921968063 /nfs/dbraw/zinc/96/80/63/921968063.db2.gz ZXOZABHRXUYJOD-HNNXBMFYSA-N 1 0 409.515 4.241 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)s1 ZINC000513644169 921968268 /nfs/dbraw/zinc/96/82/68/921968268.db2.gz ZXOZABHRXUYJOD-OAHLLOKOSA-N 1 0 409.515 4.241 20 5 HIBDRO Cn1ccnc1[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513762690 922081725 /nfs/dbraw/zinc/08/17/25/922081725.db2.gz SJGROVYAMMOUKL-HSZRJFAPSA-N 1 0 419.529 4.193 20 5 HIBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000513787002 922112759 /nfs/dbraw/zinc/11/27/59/922112759.db2.gz RGPNBDKTJFFZFH-WWNPGLIZSA-N 1 0 421.541 4.129 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000513909696 922232587 /nfs/dbraw/zinc/23/25/87/922232587.db2.gz QTPSSFAKVQXLIE-FQEVSTJZSA-N 1 0 406.486 4.107 20 5 HIBDRO CCC1(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC[NH+](Cc2ccccc2)CC1 ZINC000514059458 922382380 /nfs/dbraw/zinc/38/23/80/922382380.db2.gz PBEBDEXWWRQUCR-UHFFFAOYSA-N 1 0 409.530 4.254 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514069019 922392711 /nfs/dbraw/zinc/39/27/11/922392711.db2.gz UENPLXNJVCPQOM-SFHVURJKSA-N 1 0 400.475 4.230 20 5 HIBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1 ZINC000514625428 922728934 /nfs/dbraw/zinc/72/89/34/922728934.db2.gz DUPOGBGCDPGUFX-IBGZPJMESA-N 1 0 405.882 4.068 20 5 HIBDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000514812752 922809954 /nfs/dbraw/zinc/80/99/54/922809954.db2.gz SCKRRQMFZCQLEJ-UHFFFAOYSA-N 1 0 407.449 4.350 20 5 HIBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000515502546 923136822 /nfs/dbraw/zinc/13/68/22/923136822.db2.gz AGAAQRQMTFZFJL-INIZCTEOSA-N 1 0 422.428 4.421 20 5 HIBDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000515509247 923143718 /nfs/dbraw/zinc/14/37/18/923143718.db2.gz STCFSQWXSVEPMV-QZTJIDSGSA-N 1 0 410.518 4.387 20 5 HIBDRO [NH3+]CCN(Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1[N+](=O)[O-] ZINC000515918797 923435814 /nfs/dbraw/zinc/43/58/14/923435814.db2.gz WEHIITHGVQVAAB-UHFFFAOYSA-N 1 0 418.906 4.249 20 5 HIBDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000517541991 924254694 /nfs/dbraw/zinc/25/46/94/924254694.db2.gz CGEGPVSBZZQPIU-CQSZACIVSA-N 1 0 408.296 4.191 20 5 HIBDRO C[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000562395636 945069091 /nfs/dbraw/zinc/06/90/91/945069091.db2.gz URTFKPXBSOEGGA-KRWDZBQOSA-N 1 0 424.501 4.152 20 5 HIBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000517674923 926780657 /nfs/dbraw/zinc/78/06/57/926780657.db2.gz DQJAJGKJJHYECQ-AYHJJNSGSA-N 1 0 404.470 4.002 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000517875313 926871433 /nfs/dbraw/zinc/87/14/33/926871433.db2.gz ARVJVJZTQVZZCV-SFHVURJKSA-N 1 0 411.502 4.055 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2cccc3cccnc32)c1 ZINC000518014484 926953195 /nfs/dbraw/zinc/95/31/95/926953195.db2.gz MDARUZSSLVWPMN-UHFFFAOYSA-N 1 0 419.222 4.037 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2nccs2)cc1 ZINC000518280072 927137003 /nfs/dbraw/zinc/13/70/03/927137003.db2.gz NYEDPRQSYABBLM-UHFFFAOYSA-N 1 0 405.483 4.236 20 5 HIBDRO C[C@@H]([NH2+]C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCC1)c1ccccc1 ZINC000518336291 927200787 /nfs/dbraw/zinc/20/07/87/927200787.db2.gz LXQVNNQGUTZIOV-MRXNPFEDSA-N 1 0 406.486 4.470 20 5 HIBDRO COc1ccc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000518454045 927285206 /nfs/dbraw/zinc/28/52/06/927285206.db2.gz WVHUYLPQJNCANQ-IBGZPJMESA-N 1 0 411.502 4.195 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000518876322 927586624 /nfs/dbraw/zinc/58/66/24/927586624.db2.gz OXFVQLIMICJUCC-HNAYVOBHSA-N 1 0 419.909 4.215 20 5 HIBDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000520154350 928347521 /nfs/dbraw/zinc/34/75/21/928347521.db2.gz VDBZMDRDACOSRK-CYBMUJFWSA-N 1 0 405.882 4.151 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(Cn4cccn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000520212035 928391324 /nfs/dbraw/zinc/39/13/24/928391324.db2.gz CJXQKFYPTSETJV-UHFFFAOYSA-N 1 0 418.453 4.398 20 5 HIBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000520217650 928395420 /nfs/dbraw/zinc/39/54/20/928395420.db2.gz CCLMEFZLNNJZOJ-VGSWGCGISA-N 1 0 406.486 4.495 20 5 HIBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3o1)c1ccccc1O2 ZINC000520497536 928601657 /nfs/dbraw/zinc/60/16/57/928601657.db2.gz HJRGGFCZEKMFQE-SFHVURJKSA-N 1 0 421.453 4.059 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC000520955261 928888289 /nfs/dbraw/zinc/88/82/89/928888289.db2.gz ILWWEQOCOFCEJP-GOSISDBHSA-N 1 0 407.470 4.228 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000521323422 929136680 /nfs/dbraw/zinc/13/66/80/929136680.db2.gz QXVFSAFPBIETBH-HXUWFJFHSA-N 1 0 410.518 4.039 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(-n4cccn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000521820266 929478120 /nfs/dbraw/zinc/47/81/20/929478120.db2.gz FGLZLSZEXAQQPV-UHFFFAOYSA-N 1 0 418.453 4.381 20 5 HIBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000522061997 929626090 /nfs/dbraw/zinc/62/60/90/929626090.db2.gz DMYQGIJBGFLLPI-UHFFFAOYSA-N 1 0 419.437 4.021 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000524727545 929812955 /nfs/dbraw/zinc/81/29/55/929812955.db2.gz AXSAKBVDVCWDCB-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO C[C@@H]([NH2+][C@@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000524888347 929874274 /nfs/dbraw/zinc/87/42/74/929874274.db2.gz PBMQOWHWSHKWFI-JPYJTQIMSA-N 1 0 419.481 4.470 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355022 930192800 /nfs/dbraw/zinc/19/28/00/930192800.db2.gz QVEMNGDTSCAZKF-PZJWPPBQSA-N 1 0 416.566 4.214 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354441 930192985 /nfs/dbraw/zinc/19/29/85/930192985.db2.gz JJUQNHCPMRFSNI-NQIIRXRSSA-N 1 0 410.518 4.052 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCNC(=O)C(C)(C)C)cc2[N+](=O)[O-])cc1 ZINC000525695408 930407260 /nfs/dbraw/zinc/40/72/60/930407260.db2.gz ZPTCZHYYKFRUHN-UHFFFAOYSA-N 1 0 401.532 4.306 20 5 HIBDRO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000527078417 930580782 /nfs/dbraw/zinc/58/07/82/930580782.db2.gz PZHUYDZRYXGKBX-HOTGVXAUSA-N 1 0 407.392 4.478 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 ZINC000531109940 930923023 /nfs/dbraw/zinc/92/30/23/930923023.db2.gz PPFXIQZLRVJHFB-UHFFFAOYSA-N 1 0 410.477 4.315 20 5 HIBDRO CC(C)OCCN1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000531347150 931025530 /nfs/dbraw/zinc/02/55/30/931025530.db2.gz FSHSJDMFIKWDQC-UHFFFAOYSA-N 1 0 403.548 4.302 20 5 HIBDRO C[C@]1(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCO1 ZINC000531527686 931094383 /nfs/dbraw/zinc/09/43/83/931094383.db2.gz PDZDKRNXMXTRSR-UYAOXDASSA-N 1 0 403.866 4.087 20 5 HIBDRO C[NH+](C)CCn1ccc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000531917247 931246079 /nfs/dbraw/zinc/24/60/79/931246079.db2.gz AAEWWGHGKYYOMG-UHFFFAOYSA-N 1 0 415.881 4.411 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCCO[C@H]2CCOC2)cc1 ZINC000532300036 931390714 /nfs/dbraw/zinc/39/07/14/931390714.db2.gz INOBIIPHOZCUDU-SFHVURJKSA-N 1 0 406.866 4.326 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000532751275 931622128 /nfs/dbraw/zinc/62/21/28/931622128.db2.gz OONNZBGHVGEURL-KRWDZBQOSA-N 1 0 401.850 4.383 20 5 HIBDRO COc1cc(C[NH2+]CCc2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000532764232 931626028 /nfs/dbraw/zinc/62/60/28/931626028.db2.gz KJBCGEVXJCONDZ-UHFFFAOYSA-N 1 0 423.391 4.358 20 5 HIBDRO CCC1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000532803649 931634584 /nfs/dbraw/zinc/63/45/84/931634584.db2.gz KOFGKGBQCKXUBS-UHFFFAOYSA-N 1 0 421.501 4.348 20 5 HIBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000532902234 931685372 /nfs/dbraw/zinc/68/53/72/931685372.db2.gz WGGQFKAQGRNHPY-IBGZPJMESA-N 1 0 411.458 4.129 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCO[C@@]4(CCSC4)C3)o2)c([N+](=O)[O-])c1 ZINC000533187563 931804745 /nfs/dbraw/zinc/80/47/45/931804745.db2.gz OOJWJSQMFNYSCR-XOBRGWDASA-N 1 0 404.488 4.008 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)c1 ZINC000533230532 931814931 /nfs/dbraw/zinc/81/49/31/931814931.db2.gz IMHRANJPHSTARD-LJQANCHMSA-N 1 0 421.453 4.401 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533291794 931830161 /nfs/dbraw/zinc/83/01/61/931830161.db2.gz GCQIUMQBFRKLHC-LJQANCHMSA-N 1 0 420.513 4.389 20 5 HIBDRO CC(C)c1nc([C@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)no1 ZINC000533404702 931859584 /nfs/dbraw/zinc/85/95/84/931859584.db2.gz RFGXVBFLBQAYOT-INIZCTEOSA-N 1 0 411.462 4.178 20 5 HIBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000533407157 931860489 /nfs/dbraw/zinc/86/04/89/931860489.db2.gz MNVVJZITEABFPZ-DYESRHJHSA-N 1 0 421.501 4.302 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(C/C=C/c4ccccc4)CC3)o2)c1 ZINC000533422177 931863471 /nfs/dbraw/zinc/86/34/71/931863471.db2.gz IQYKNQVLZVRRMW-VMPITWQZSA-N 1 0 418.497 4.123 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000533441001 931869985 /nfs/dbraw/zinc/86/99/85/931869985.db2.gz QSTRQOPJWCNYJN-OAHLLOKOSA-N 1 0 401.850 4.036 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534228265 932347365 /nfs/dbraw/zinc/34/73/65/932347365.db2.gz HMHKBGXPMWOZGO-AUUYWEPGSA-N 1 0 405.857 4.119 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCO1 ZINC000534467859 932487313 /nfs/dbraw/zinc/48/73/13/932487313.db2.gz QGUFUCACQFHXIO-PMACEKPBSA-N 1 0 400.475 4.230 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000534515840 932540367 /nfs/dbraw/zinc/54/03/67/932540367.db2.gz YEJMLXKONDEAHG-CYBMUJFWSA-N 1 0 404.772 4.443 20 5 HIBDRO Cc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1OCC[NH+]1CCCC1 ZINC000534701094 932671506 /nfs/dbraw/zinc/67/15/06/932671506.db2.gz LNYWRNITIPKCGB-UHFFFAOYSA-N 1 0 422.485 4.040 20 5 HIBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000534870977 932816298 /nfs/dbraw/zinc/81/62/98/932816298.db2.gz SKQXMRYJSXUUON-OAQYLSRUSA-N 1 0 415.852 4.270 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534962133 932861429 /nfs/dbraw/zinc/86/14/29/932861429.db2.gz LCRJFDSJOOFMHD-UHFFFAOYSA-N 1 0 410.499 4.186 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000535115195 932932788 /nfs/dbraw/zinc/93/27/88/932932788.db2.gz DLRLIBPPFGGOLF-NZQKXSOJSA-N 1 0 423.513 4.332 20 5 HIBDRO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000535209494 933015958 /nfs/dbraw/zinc/01/59/58/933015958.db2.gz BIIIJZUGOUHNNH-AWEZNQCLSA-N 1 0 418.519 4.474 20 5 HIBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000535273516 933045062 /nfs/dbraw/zinc/04/50/62/933045062.db2.gz ZBBXTYXHTKAHIN-HXUWFJFHSA-N 1 0 420.897 4.118 20 5 HIBDRO C[C@](O)(C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000535543495 933234223 /nfs/dbraw/zinc/23/42/23/933234223.db2.gz RRPZNFSTLIGDQX-INIZCTEOSA-N 1 0 404.772 4.443 20 5 HIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000535810305 933405879 /nfs/dbraw/zinc/40/58/79/933405879.db2.gz CBUYCLLPGYBHQZ-KRWDZBQOSA-N 1 0 411.437 4.030 20 5 HIBDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000537299190 933703350 /nfs/dbraw/zinc/70/33/50/933703350.db2.gz ACKIGIFHNYWYAH-UONOGXRCSA-N 1 0 405.882 4.245 20 5 HIBDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000537329177 933717746 /nfs/dbraw/zinc/71/77/46/933717746.db2.gz IXCZJTJNHBDQJT-HXUWFJFHSA-N 1 0 413.909 4.041 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537346708 933728576 /nfs/dbraw/zinc/72/85/76/933728576.db2.gz BJQRRZUGIIXYBD-KUHUBIRLSA-N 1 0 421.419 4.455 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000562900943 945145871 /nfs/dbraw/zinc/14/58/71/945145871.db2.gz JFJSVVNQCNNBQH-UHFFFAOYSA-N 1 0 407.392 4.008 20 5 HIBDRO CCOc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537620722 938335998 /nfs/dbraw/zinc/33/59/98/938335998.db2.gz WTSSMAFRZJUNSS-IAGOWNOFSA-N 1 0 416.522 4.198 20 5 HIBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000537631461 938341349 /nfs/dbraw/zinc/34/13/49/938341349.db2.gz MXCALUMZEUDQHW-FXAWDEMLSA-N 1 0 413.518 4.097 20 5 HIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000537698242 938357819 /nfs/dbraw/zinc/35/78/19/938357819.db2.gz QCOFJEPMMKZPPB-UHFFFAOYSA-N 1 0 408.502 4.086 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 ZINC000537775183 938374301 /nfs/dbraw/zinc/37/43/01/938374301.db2.gz YOASKGJWWDFQRU-AVRDEDQJSA-N 1 0 414.527 4.482 20 5 HIBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000537775110 938374311 /nfs/dbraw/zinc/37/43/11/938374311.db2.gz YUZZFCKBRGERQG-UHFFFAOYSA-N 1 0 410.518 4.033 20 5 HIBDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000538277667 938581628 /nfs/dbraw/zinc/58/16/28/938581628.db2.gz VDGDHBIXACDBPZ-GOSISDBHSA-N 1 0 413.474 4.278 20 5 HIBDRO COC[C@H]1CCC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538731128 938695330 /nfs/dbraw/zinc/69/53/30/938695330.db2.gz CTALIXAGLJQMMU-SFHVURJKSA-N 1 0 400.475 4.041 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000538877183 938729797 /nfs/dbraw/zinc/72/97/97/938729797.db2.gz NXRXZLPRKVUBHV-LAUBAEHRSA-N 1 0 418.877 4.468 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000539021313 938771383 /nfs/dbraw/zinc/77/13/83/938771383.db2.gz SICBFBUIRSOLKK-OLZOCXBDSA-N 1 0 406.280 4.425 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000539120438 938805821 /nfs/dbraw/zinc/80/58/21/938805821.db2.gz MQCRPFQTGPPYGK-HNNXBMFYSA-N 1 0 401.467 4.180 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000539225302 938821346 /nfs/dbraw/zinc/82/13/46/938821346.db2.gz CJODCPPJBAFDTM-SJORKVTESA-N 1 0 420.469 4.247 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 ZINC000539253480 938827092 /nfs/dbraw/zinc/82/70/92/938827092.db2.gz MHPMSDZLGFQFPV-SJORKVTESA-N 1 0 420.469 4.247 20 5 HIBDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OC(F)F ZINC000539256051 938827642 /nfs/dbraw/zinc/82/76/42/938827642.db2.gz VDLOCEGEORQFDK-IRXDYDNUSA-N 1 0 405.401 4.042 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000539276403 938831831 /nfs/dbraw/zinc/83/18/31/938831831.db2.gz LGAQYOIOSCBGER-JTQLQIEISA-N 1 0 412.671 4.300 20 5 HIBDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000539282112 938833042 /nfs/dbraw/zinc/83/30/42/938833042.db2.gz VVMRGERTKKJPFT-KUHUBIRLSA-N 1 0 413.499 4.117 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000539298192 938836138 /nfs/dbraw/zinc/83/61/38/938836138.db2.gz KMFJWBKMJAAZRM-UHFFFAOYSA-N 1 0 403.504 4.288 20 5 HIBDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OCC2CC2)c1 ZINC000539520306 938872861 /nfs/dbraw/zinc/87/28/61/938872861.db2.gz GKPZCBFXPORCOW-UHFFFAOYSA-N 1 0 406.486 4.382 20 5 HIBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539527470 938873532 /nfs/dbraw/zinc/87/35/32/938873532.db2.gz MHTRJLDDQCRTER-UZUQRXQVSA-N 1 0 417.513 4.020 20 5 HIBDRO COc1cc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])cc1OC ZINC000539530721 938874264 /nfs/dbraw/zinc/87/42/64/938874264.db2.gz WDIXPSMQQIVKMA-UHFFFAOYSA-N 1 0 407.879 4.207 20 5 HIBDRO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000539766586 938930929 /nfs/dbraw/zinc/93/09/29/938930929.db2.gz RHQROKJCKKMHMH-FQEVSTJZSA-N 1 0 411.502 4.042 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000539831330 938950580 /nfs/dbraw/zinc/95/05/80/938950580.db2.gz KNJJIXMECDLFTK-GDBMZVCRSA-N 1 0 404.772 4.396 20 5 HIBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924220 938978229 /nfs/dbraw/zinc/97/82/29/938978229.db2.gz WLPGDNZDVYYHLT-LPHOPBHVSA-N 1 0 413.449 4.017 20 5 HIBDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000540140253 939087663 /nfs/dbraw/zinc/08/76/63/939087663.db2.gz LUHSHQPGIPFIGP-DSKINZAPSA-N 1 0 416.543 4.148 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)cc1[N+](=O)[O-] ZINC000540172862 939102386 /nfs/dbraw/zinc/10/23/86/939102386.db2.gz AWWGXJWDRCCPBQ-OAHLLOKOSA-N 1 0 407.264 4.369 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000540183355 939109598 /nfs/dbraw/zinc/10/95/98/939109598.db2.gz RGXADKHOCCPDLZ-GOSISDBHSA-N 1 0 412.877 4.452 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000540378368 939218420 /nfs/dbraw/zinc/21/84/20/939218420.db2.gz GZFDQWVNPVMGSJ-SFHVURJKSA-N 1 0 418.291 4.087 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(SCC)cc2)c([N+](=O)[O-])c1 ZINC000540404997 939236684 /nfs/dbraw/zinc/23/66/84/939236684.db2.gz VHQRIIDVOMFTHW-CQSZACIVSA-N 1 0 403.504 4.395 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000540409026 939238008 /nfs/dbraw/zinc/23/80/08/939238008.db2.gz GXOXCXZIKVZJHV-HXUWFJFHSA-N 1 0 411.408 4.046 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540808666 939379210 /nfs/dbraw/zinc/37/92/10/939379210.db2.gz ASHZUQIOZPLINI-UHFFFAOYSA-N 1 0 415.453 4.472 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000541571067 939557919 /nfs/dbraw/zinc/55/79/19/939557919.db2.gz OAULQXHVEUXFFP-AWEZNQCLSA-N 1 0 414.437 4.466 20 5 HIBDRO C[N@@H+]1CC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541576024 939559152 /nfs/dbraw/zinc/55/91/52/939559152.db2.gz QPFZJMPHAFNFPL-BFUOFWGJSA-N 1 0 415.856 4.435 20 5 HIBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1ccccc1C(F)(F)F ZINC000541634152 939577788 /nfs/dbraw/zinc/57/77/88/939577788.db2.gz OCNTVOKUPFCWQL-KGLIPLIRSA-N 1 0 421.419 4.285 20 5 HIBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C1=CC[N@H+](C)CC1 ZINC000541749330 939620136 /nfs/dbraw/zinc/62/01/36/939620136.db2.gz MQMUGRVEJGSVOV-OAHLLOKOSA-N 1 0 403.548 4.257 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(F)c(-c3cccs3)c2)cc1 ZINC000541763054 939624396 /nfs/dbraw/zinc/62/43/96/939624396.db2.gz ZESGRSQIHGNEFF-UHFFFAOYSA-N 1 0 420.487 4.026 20 5 HIBDRO COc1cc(C[NH2+]C[C@H](C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000541779969 939628241 /nfs/dbraw/zinc/62/82/41/939628241.db2.gz SITGYRMPCWYXMA-JTQLQIEISA-N 1 0 419.425 4.203 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000541786336 939629974 /nfs/dbraw/zinc/62/99/74/939629974.db2.gz LWCSOPCJPHHUGO-NVXWUHKLSA-N 1 0 400.454 4.251 20 5 HIBDRO CC1CC[NH+](CCc2cccc(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)CC1 ZINC000542120949 939721356 /nfs/dbraw/zinc/72/13/56/939721356.db2.gz POYSJYOZVBDICZ-UHFFFAOYSA-N 1 0 423.560 4.078 20 5 HIBDRO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000542258600 939774977 /nfs/dbraw/zinc/77/49/77/939774977.db2.gz ZHVFSIBWODKQJU-KBXCAEBGSA-N 1 0 413.499 4.117 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000542843835 939862367 /nfs/dbraw/zinc/86/23/67/939862367.db2.gz IJKXPBLUUNXUBX-GOSISDBHSA-N 1 0 419.428 4.072 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000543139189 939966328 /nfs/dbraw/zinc/96/63/28/939966328.db2.gz BIFHPNBXWLKMCG-INIZCTEOSA-N 1 0 410.392 4.018 20 5 HIBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543558712 940108267 /nfs/dbraw/zinc/10/82/67/940108267.db2.gz HWZFCOLGJFNNAD-OALUTQOASA-N 1 0 412.421 4.136 20 5 HIBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580784 940117949 /nfs/dbraw/zinc/11/79/49/940117949.db2.gz FJNWHOUTFLGMEK-AUUYWEPGSA-N 1 0 403.548 4.090 20 5 HIBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1F ZINC000543847274 940207177 /nfs/dbraw/zinc/20/71/77/940207177.db2.gz ZAHWZQJNVZPQQO-LJQANCHMSA-N 1 0 423.828 4.041 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000544069247 940316587 /nfs/dbraw/zinc/31/65/87/940316587.db2.gz LSEVLBQIHYUAET-QGZVFWFLSA-N 1 0 410.392 4.018 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000544197593 940351717 /nfs/dbraw/zinc/35/17/17/940351717.db2.gz VNELFOKITXQPEU-OAHLLOKOSA-N 1 0 411.911 4.133 20 5 HIBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000544581141 940484171 /nfs/dbraw/zinc/48/41/71/940484171.db2.gz GAFSTCPBCNDXIK-UHFFFAOYSA-N 1 0 405.564 4.339 20 5 HIBDRO O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)cn2)cc1 ZINC000544705638 940504905 /nfs/dbraw/zinc/50/49/05/940504905.db2.gz FXGFTZDRZHBUCQ-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000545352909 940563968 /nfs/dbraw/zinc/56/39/68/940563968.db2.gz LIGKZINJMODRDE-FXAWDEMLSA-N 1 0 406.866 4.324 20 5 HIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@]12CCCO2 ZINC000545548600 940574300 /nfs/dbraw/zinc/57/43/00/940574300.db2.gz UZSWFYSFFJIJFN-XUVXKRRUSA-N 1 0 406.866 4.324 20 5 HIBDRO CC[N@H+](Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1)C1CC1 ZINC000545776005 940584997 /nfs/dbraw/zinc/58/49/97/940584997.db2.gz CRVLGMBJNZIULB-UHFFFAOYSA-N 1 0 408.458 4.229 20 5 HIBDRO CSc1cccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000564018275 945351113 /nfs/dbraw/zinc/35/11/13/945351113.db2.gz GDYSYKHPPCCOSI-SFHVURJKSA-N 1 0 417.531 4.137 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000547106006 940998578 /nfs/dbraw/zinc/99/85/78/940998578.db2.gz OENFEAXDEDMHBN-HZPDHXFCSA-N 1 0 408.458 4.229 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547245186 941042277 /nfs/dbraw/zinc/04/22/77/941042277.db2.gz GTYGYDDCYQMRPB-IIBYNOLFSA-N 1 0 413.493 4.038 20 5 HIBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000548418293 941101910 /nfs/dbraw/zinc/10/19/10/941101910.db2.gz BNASTCSKFNLEBZ-UHFFFAOYSA-N 1 0 403.482 4.199 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC4(CCOCC4)[C@@H]3O)o2)c(Cl)c1 ZINC000548991877 941139783 /nfs/dbraw/zinc/13/97/83/941139783.db2.gz WSBNNBJFQDRTTR-VBKZILBWSA-N 1 0 420.893 4.166 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000549085656 941155066 /nfs/dbraw/zinc/15/50/66/941155066.db2.gz FNHNBRVRURONAD-QFIPXVFZSA-N 1 0 411.502 4.197 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000549582226 941200309 /nfs/dbraw/zinc/20/03/09/941200309.db2.gz GEXHYSPNFOERSZ-OAHLLOKOSA-N 1 0 412.421 4.172 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000551242898 941434574 /nfs/dbraw/zinc/43/45/74/941434574.db2.gz YCEMFHMAXYAVNR-CBGDNZLLSA-N 1 0 413.493 4.397 20 5 HIBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000551568875 941503481 /nfs/dbraw/zinc/50/34/81/941503481.db2.gz AFSVBSDASKUYPE-FOIQADDNSA-N 1 0 422.909 4.288 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000552057625 941575712 /nfs/dbraw/zinc/57/57/12/941575712.db2.gz ALNQKGCWZGLPBT-STZQEDGTSA-N 1 0 411.502 4.173 20 5 HIBDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552067632 941578495 /nfs/dbraw/zinc/57/84/95/941578495.db2.gz SABQPIFUQKIKLI-GCJKJVERSA-N 1 0 406.486 4.136 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000552319133 941630675 /nfs/dbraw/zinc/63/06/75/941630675.db2.gz FUSPFEIEIAFROW-KBXCAEBGSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000553219622 941852031 /nfs/dbraw/zinc/85/20/31/941852031.db2.gz DVAUKFNVIMQNBH-HNNXBMFYSA-N 1 0 401.463 4.070 20 5 HIBDRO CCC1(C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CCOCC1 ZINC000553517330 941900476 /nfs/dbraw/zinc/90/04/76/941900476.db2.gz LFDQINWJDMVFEH-UHFFFAOYSA-N 1 0 414.502 4.479 20 5 HIBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000553528015 941902960 /nfs/dbraw/zinc/90/29/60/941902960.db2.gz HTMODPZRIKQOBO-SFHVURJKSA-N 1 0 422.529 4.153 20 5 HIBDRO CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000553871633 941988788 /nfs/dbraw/zinc/98/87/88/941988788.db2.gz LYKLSKFFNMTJEO-UHFFFAOYSA-N 1 0 424.545 4.211 20 5 HIBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000554070264 942029123 /nfs/dbraw/zinc/02/91/23/942029123.db2.gz ODPVXLNLUJEVFO-MSOLQXFVSA-N 1 0 409.408 4.043 20 5 HIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934868 942324643 /nfs/dbraw/zinc/32/46/43/942324643.db2.gz KTUZXNWNOZAIMW-GFCCVEGCSA-N 1 0 416.181 4.266 20 5 HIBDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554978885 942341309 /nfs/dbraw/zinc/34/13/09/942341309.db2.gz PCGDBRMKRZJWMJ-SECBINFHSA-N 1 0 416.181 4.410 20 5 HIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-n2cccn2)c(F)c1 ZINC000555598609 942661642 /nfs/dbraw/zinc/66/16/42/942661642.db2.gz YQBLSVLHYASZHN-OAHLLOKOSA-N 1 0 421.432 4.468 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000555598219 942662534 /nfs/dbraw/zinc/66/25/34/942662534.db2.gz UTTJKHROLIZLSW-VWNXMTODSA-N 1 0 422.529 4.001 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000555817481 942743669 /nfs/dbraw/zinc/74/36/69/942743669.db2.gz KWIRSZOGAYBTRU-ZDUSSCGKSA-N 1 0 412.328 4.050 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000556127563 942808226 /nfs/dbraw/zinc/80/82/26/942808226.db2.gz JYDWFASRKIIDIJ-UHFFFAOYSA-N 1 0 401.429 4.198 20 5 HIBDRO COc1ccc([C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[NH+]2CCCCC2)cc1 ZINC000557476913 943154590 /nfs/dbraw/zinc/15/45/90/943154590.db2.gz GYOQREMWJPRBKF-KRWDZBQOSA-N 1 0 413.503 4.247 20 5 HIBDRO O=C1Nc2ccccc2C12CCC([NH2+]CCc1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000558164952 943405677 /nfs/dbraw/zinc/40/56/77/943405677.db2.gz IOUTVJZNAJZDCN-UHFFFAOYSA-N 1 0 404.470 4.041 20 5 HIBDRO Cc1c(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000558222947 943442473 /nfs/dbraw/zinc/44/24/73/943442473.db2.gz UKDJZMUXDOFTHL-HXUWFJFHSA-N 1 0 400.479 4.115 20 5 HIBDRO CN(c1ccccc1)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412429 943552959 /nfs/dbraw/zinc/55/29/59/943552959.db2.gz ZHPKAAXOPXTYJI-WMZOPIPTSA-N 1 0 423.435 4.355 20 5 HIBDRO C[C@@H](CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000558419630 943554633 /nfs/dbraw/zinc/55/46/33/943554633.db2.gz DIIJKNQJMHNQEY-AWEZNQCLSA-N 1 0 409.408 4.254 20 5 HIBDRO CCOc1cc(C[N@@H+]2[C@@H](C)CC[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000558423704 943556074 /nfs/dbraw/zinc/55/60/74/943556074.db2.gz OKQPFRVXZFODIZ-LPHOPBHVSA-N 1 0 416.522 4.340 20 5 HIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cn1cccn1 ZINC000558931913 943753862 /nfs/dbraw/zinc/75/38/62/943753862.db2.gz QXFGXRXJDHFHOO-ZDUSSCGKSA-N 1 0 419.279 4.240 20 5 HIBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(C)C ZINC000559312319 943894186 /nfs/dbraw/zinc/89/41/86/943894186.db2.gz GKCGPUCZWLEAMQ-IBGZPJMESA-N 1 0 405.882 4.291 20 5 HIBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000560531015 944244680 /nfs/dbraw/zinc/24/46/80/944244680.db2.gz WEENZNPPYPMDNB-NNWRFLSQSA-N 1 0 406.486 4.175 20 5 HIBDRO 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 944252396 /nfs/dbraw/zinc/25/23/96/944252396.db2.gz NQBLRODCKCWFTN-VHSSKADRSA-N 1 0 414.449 4.230 20 5 HIBDRO CCC[C@H]([NH2+][C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1)c1cccc([N+](=O)[O-])c1 ZINC000560571977 944258164 /nfs/dbraw/zinc/25/81/64/944258164.db2.gz LZMGWHKIOBVHBB-IOASZLSFSA-N 1 0 405.524 4.103 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000561169142 944494200 /nfs/dbraw/zinc/49/42/00/944494200.db2.gz OYXHLESICWXEJR-UHFFFAOYSA-N 1 0 403.523 4.292 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)NCC3([NH3+])CCCCCC3)cc2[N+](=O)[O-])n1 ZINC000561934972 944863428 /nfs/dbraw/zinc/86/34/28/944863428.db2.gz PHEACUBSWOTAIT-UHFFFAOYSA-N 1 0 420.560 4.292 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000562299545 945054727 /nfs/dbraw/zinc/05/47/27/945054727.db2.gz HFRQOUJCFTTZNO-LAUBAEHRSA-N 1 0 411.502 4.050 20 5 HIBDRO Cc1cccnc1OC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000564406914 945560073 /nfs/dbraw/zinc/56/00/73/945560073.db2.gz PZMNTWXKASIVCU-UHFFFAOYSA-N 1 0 408.458 4.039 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](CO)c3cccnc3)cc2[N+](=O)[O-])cc1 ZINC000564679693 945725540 /nfs/dbraw/zinc/72/55/40/945725540.db2.gz GCTWCPQEDQXXBP-IBGZPJMESA-N 1 0 409.511 4.315 20 5 HIBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000565374121 945818457 /nfs/dbraw/zinc/81/84/57/945818457.db2.gz LCJKQACGPOGUQI-JTQLQIEISA-N 1 0 402.154 4.020 20 5 HIBDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328278 946510087 /nfs/dbraw/zinc/51/00/87/946510087.db2.gz OALMDMDULZAEER-FDDCHVKYSA-N 1 0 419.529 4.220 20 5 HIBDRO C[C@H]1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000568912231 946747891 /nfs/dbraw/zinc/74/78/91/946747891.db2.gz VULRSSFNSKYELC-KKSFZXQISA-N 1 0 408.527 4.471 20 5 HIBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC000569286309 946849978 /nfs/dbraw/zinc/84/99/78/946849978.db2.gz SYOFOEXWLGDSMG-FPOVZHCZSA-N 1 0 407.470 4.390 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)o2)c([N+](=O)[O-])c1 ZINC000570129211 947108072 /nfs/dbraw/zinc/10/80/72/947108072.db2.gz YCNXBZAOZQXCGT-SFHVURJKSA-N 1 0 414.380 4.143 20 5 HIBDRO CC(C)(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000570894268 947387745 /nfs/dbraw/zinc/38/77/45/947387745.db2.gz IVAKJJINYFEFNH-FQEVSTJZSA-N 1 0 409.530 4.291 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000570977917 947408663 /nfs/dbraw/zinc/40/86/63/947408663.db2.gz HMJJLBDLQHNCHK-NRFANRHFSA-N 1 0 412.490 4.124 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000571247777 947567116 /nfs/dbraw/zinc/56/71/16/947567116.db2.gz FNVNDBZJANZRBU-UHFFFAOYSA-N 1 0 409.530 4.421 20 5 HIBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000572513627 947922479 /nfs/dbraw/zinc/92/24/79/947922479.db2.gz WWISCIZZSYRJRD-XJKSGUPXSA-N 1 0 414.487 4.171 20 5 HIBDRO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000573886523 948321576 /nfs/dbraw/zinc/32/15/76/948321576.db2.gz RUXQOEXKWMPDAF-SFHVURJKSA-N 1 0 412.490 4.027 20 5 HIBDRO O=[N+]([O-])c1cccc2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc21 ZINC001164694858 719891499 /nfs/dbraw/zinc/89/14/99/719891499.db2.gz FOCUFCPSZJTAMV-UHFFFAOYSA-N 1 0 424.526 4.076 20 5 HIBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ccc21 ZINC001164722522 720399489 /nfs/dbraw/zinc/39/94/89/720399489.db2.gz DDIFCVWQTLNANX-OALUTQOASA-N 1 0 409.877 4.045 20 5 HIBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164726937 720442425 /nfs/dbraw/zinc/44/24/25/720442425.db2.gz CGXQVXMDKRWWSJ-RBUKOAKNSA-N 1 0 409.877 4.045 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731093 720478600 /nfs/dbraw/zinc/47/86/00/720478600.db2.gz VPVAABMCAAKCTL-VQTJNVASSA-N 1 0 419.460 4.044 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165023981 721808145 /nfs/dbraw/zinc/80/81/45/721808145.db2.gz KOJWWZAXXIRCPL-RYQLBKOJSA-N 1 0 415.925 4.084 20 5 HIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165020542 721808423 /nfs/dbraw/zinc/80/84/23/721808423.db2.gz FYIRSWNVTBQURU-VDZJLULYSA-N 1 0 415.925 4.084 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001165030214 721830984 /nfs/dbraw/zinc/83/09/84/721830984.db2.gz YZQBACKQIMHRJJ-SXSPYAJSSA-N 1 0 417.513 4.275 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436157808 861457237 /nfs/dbraw/zinc/45/72/37/861457237.db2.gz XDOHQNIPPRIDFP-IRXDYDNUSA-N 1 0 405.542 4.168 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)c1 ZINC000023679103 846738269 /nfs/dbraw/zinc/73/82/69/846738269.db2.gz XNUSFRHNOFLZEZ-YKSBVNFPSA-N 1 0 418.449 4.460 20 5 HIBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025536230 846994810 /nfs/dbraw/zinc/99/48/10/846994810.db2.gz LQJDPBUTABITOV-HXUWFJFHSA-N 1 0 401.894 4.061 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000026226367 847107391 /nfs/dbraw/zinc/10/73/91/847107391.db2.gz YZHVJOPXJARHBY-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000026257984 847115939 /nfs/dbraw/zinc/11/59/39/847115939.db2.gz ZUZXYEFBJWPXGY-UHFFFAOYSA-N 1 0 415.471 4.289 20 5 HIBDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000026644950 847179967 /nfs/dbraw/zinc/17/99/67/847179967.db2.gz ODYSAKXQYWYTBK-UHFFFAOYSA-N 1 0 409.486 4.135 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000027110322 847248712 /nfs/dbraw/zinc/24/87/12/847248712.db2.gz CGIVMVRJFWIUQM-SFHVURJKSA-N 1 0 403.866 4.423 20 5 HIBDRO CC(=O)c1ccc(NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000029587451 847584508 /nfs/dbraw/zinc/58/45/08/847584508.db2.gz LWMMUGNNCYIPRF-UHFFFAOYSA-N 1 0 410.518 4.120 20 5 HIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000030454875 847717009 /nfs/dbraw/zinc/71/70/09/847717009.db2.gz ZISJZBDVUHLHOS-HUUCEWRRSA-N 1 0 401.463 4.068 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1Cl ZINC000032316871 848003157 /nfs/dbraw/zinc/00/31/57/848003157.db2.gz AZCSFLIOKZXLJK-GOSISDBHSA-N 1 0 405.882 4.070 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+](Cc2cccs2)Cc2cccs2)c1 ZINC000032775814 848074702 /nfs/dbraw/zinc/07/47/02/848074702.db2.gz CFIYZHNJXHRQIL-MRXNPFEDSA-N 1 0 404.513 4.160 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000043302837 848406804 /nfs/dbraw/zinc/40/68/04/848406804.db2.gz CSIXARBAHHCQIG-RYUDHWBXSA-N 1 0 411.380 4.300 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226432 848807053 /nfs/dbraw/zinc/80/70/53/848807053.db2.gz XCDZJWGRXVBSLC-HXUWFJFHSA-N 1 0 416.909 4.227 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC000058093495 850764542 /nfs/dbraw/zinc/76/45/42/850764542.db2.gz XLAGOGCKUIHJQZ-UHFFFAOYSA-N 1 0 401.207 4.291 20 5 HIBDRO COc1ccc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000059286743 850992640 /nfs/dbraw/zinc/99/26/40/850992640.db2.gz JCGCZKQASCZMEY-CALCHBBNSA-N 1 0 411.502 4.011 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000060690655 851192322 /nfs/dbraw/zinc/19/23/22/851192322.db2.gz PXDQZKIROJEWMS-OAHLLOKOSA-N 1 0 401.894 4.410 20 5 HIBDRO Cc1cc(N2CCC[N@H+](Cc3ccccc3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858992 851233610 /nfs/dbraw/zinc/23/36/10/851233610.db2.gz LVIPZAKQCSBCFI-UHFFFAOYSA-N 1 0 417.513 4.381 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000061503358 851391469 /nfs/dbraw/zinc/39/14/69/851391469.db2.gz GILRAVUURVWJQK-HSZRJFAPSA-N 1 0 422.529 4.070 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000437056233 862252550 /nfs/dbraw/zinc/25/25/50/862252550.db2.gz PUELQCRXNMDGHY-HNNXBMFYSA-N 1 0 405.486 4.329 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000063080834 851611278 /nfs/dbraw/zinc/61/12/78/851611278.db2.gz FNCSRYYGUQTDKM-UHFFFAOYSA-N 1 0 409.511 4.452 20 5 HIBDRO CC(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000063526168 851707590 /nfs/dbraw/zinc/70/75/90/851707590.db2.gz JLRKHUQFSAAMFR-UHFFFAOYSA-N 1 0 419.547 4.037 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cc(Br)ccc2F)cccc1[N+](=O)[O-] ZINC000063742413 851753090 /nfs/dbraw/zinc/75/30/90/851753090.db2.gz DDARYBNYCHWVIK-UHFFFAOYSA-N 1 0 424.270 4.265 20 5 HIBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000065931734 852321814 /nfs/dbraw/zinc/32/18/14/852321814.db2.gz BYSXEEWILJFCRZ-UHFFFAOYSA-N 1 0 401.463 4.153 20 5 HIBDRO COC(=O)/C=C/c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000071844763 852416620 /nfs/dbraw/zinc/41/66/20/852416620.db2.gz VRARZKKYIALEPW-PDFOZTTASA-N 1 0 401.488 4.092 20 5 HIBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000072009961 852464531 /nfs/dbraw/zinc/46/45/31/852464531.db2.gz RQXSZNCQEDWBRU-LJQANCHMSA-N 1 0 416.566 4.216 20 5 HIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000096956042 852563331 /nfs/dbraw/zinc/56/33/31/852563331.db2.gz WNXLLSHCDGMHNL-NWDGAFQWSA-N 1 0 422.279 4.044 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)C1 ZINC000107959628 852812568 /nfs/dbraw/zinc/81/25/68/852812568.db2.gz HBVYNTYHFVRLEY-KRWDZBQOSA-N 1 0 419.485 4.265 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109484335 852975762 /nfs/dbraw/zinc/97/57/62/852975762.db2.gz IPGGLOFZSGBVQB-HNNXBMFYSA-N 1 0 417.556 4.263 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000109892025 853030299 /nfs/dbraw/zinc/03/02/99/853030299.db2.gz DSXVNNKIWSHGBO-UHFFFAOYSA-N 1 0 412.877 4.124 20 5 HIBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000110102595 853059562 /nfs/dbraw/zinc/05/95/62/853059562.db2.gz LDPLCOGPYLEZOM-LJQANCHMSA-N 1 0 408.376 4.093 20 5 HIBDRO O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000110515889 853110753 /nfs/dbraw/zinc/11/07/53/853110753.db2.gz WMQKIBLQOHVBDP-QGZVFWFLSA-N 1 0 415.877 4.351 20 5 HIBDRO COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1Br ZINC000216747917 853857570 /nfs/dbraw/zinc/85/75/70/853857570.db2.gz JCHRODTVIPNPFV-NSHDSACASA-N 1 0 423.263 4.083 20 5 HIBDRO COc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 ZINC000217386596 853862411 /nfs/dbraw/zinc/86/24/11/853862411.db2.gz WBCFLGCOSCZCNU-UHFFFAOYSA-N 1 0 409.408 4.335 20 5 HIBDRO CC(C)CC(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236605700 853902681 /nfs/dbraw/zinc/90/26/81/853902681.db2.gz JXCIQSMSMJMRFX-UHFFFAOYSA-N 1 0 401.532 4.450 20 5 HIBDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000236748243 853918682 /nfs/dbraw/zinc/91/86/82/853918682.db2.gz JNGHAHRTUSKCLX-KRWDZBQOSA-N 1 0 423.517 4.494 20 5 HIBDRO CC(C)(CO)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236757384 853919421 /nfs/dbraw/zinc/91/94/21/853919421.db2.gz KWDNONCDZGCKMR-UHFFFAOYSA-N 1 0 408.502 4.336 20 5 HIBDRO CCN(CC)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000236851692 853928917 /nfs/dbraw/zinc/92/89/17/853928917.db2.gz IJGJPRNFHYTMGK-FQEVSTJZSA-N 1 0 413.547 4.230 20 5 HIBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236975901 853945163 /nfs/dbraw/zinc/94/51/63/853945163.db2.gz AHSQQYVVEHGZBR-AWEZNQCLSA-N 1 0 405.882 4.435 20 5 HIBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236983748 853947660 /nfs/dbraw/zinc/94/76/60/853947660.db2.gz DJWBQAUDOMRDFI-UONOGXRCSA-N 1 0 405.882 4.433 20 5 HIBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000237020851 853952429 /nfs/dbraw/zinc/95/24/29/853952429.db2.gz OKAKSTXDDMRFQS-LJQANCHMSA-N 1 0 408.458 4.007 20 5 HIBDRO COc1cc(C[NH2+]Cc2ccc(O)c(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237100344 853963856 /nfs/dbraw/zinc/96/38/56/853963856.db2.gz BDWMIUMVDYZIHT-UHFFFAOYSA-N 1 0 412.417 4.317 20 5 HIBDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237108905 853966251 /nfs/dbraw/zinc/96/62/51/853966251.db2.gz SGZWLAHBLYWXFE-INIZCTEOSA-N 1 0 421.501 4.270 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](CO)c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237144211 853972424 /nfs/dbraw/zinc/97/24/24/853972424.db2.gz OFLPZGBHHOULPW-NRFANRHFSA-N 1 0 408.454 4.006 20 5 HIBDRO CN(C)[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000237178258 853976126 /nfs/dbraw/zinc/97/61/26/853976126.db2.gz FOBQAIZASDLOJI-IBGZPJMESA-N 1 0 400.479 4.250 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237241224 853988418 /nfs/dbraw/zinc/98/84/18/853988418.db2.gz VAXKKGYQLMJCOH-QWHCGFSZSA-N 1 0 408.442 4.308 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237245521 853989963 /nfs/dbraw/zinc/98/99/63/853989963.db2.gz YNHJSOVGDRMBGZ-UGSOOPFHSA-N 1 0 420.428 4.085 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237315727 854005114 /nfs/dbraw/zinc/00/51/14/854005114.db2.gz NKJPEGJTANQXQB-HXUWFJFHSA-N 1 0 422.485 4.083 20 5 HIBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1 ZINC000237318374 854005984 /nfs/dbraw/zinc/00/59/84/854005984.db2.gz YNLXCEHUYKWVGA-UHFFFAOYSA-N 1 0 408.454 4.481 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cccc(Cn4cccn4)c3)o2)c([N+](=O)[O-])c1 ZINC000237421560 854029781 /nfs/dbraw/zinc/02/97/81/854029781.db2.gz YRZZJZHNWVAQGB-UHFFFAOYSA-N 1 0 418.453 4.398 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3ccc(NC(N)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000237439964 854033890 /nfs/dbraw/zinc/03/38/90/854033890.db2.gz HVRWQCZOCWDBCR-CYBMUJFWSA-N 1 0 410.430 4.205 20 5 HIBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237469776 854038837 /nfs/dbraw/zinc/03/88/37/854038837.db2.gz QFXHBCPZNNRUAO-MRXNPFEDSA-N 1 0 416.485 4.340 20 5 HIBDRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000237508754 854047295 /nfs/dbraw/zinc/04/72/95/854047295.db2.gz UQNIDMWRIDEBAU-QGZVFWFLSA-N 1 0 424.526 4.486 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCC[C@H]1C ZINC000237660383 854069970 /nfs/dbraw/zinc/06/99/70/854069970.db2.gz DJLRWXDSVGMZAV-KGLIPLIRSA-N 1 0 405.882 4.387 20 5 HIBDRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237701758 854078862 /nfs/dbraw/zinc/07/88/62/854078862.db2.gz CEMWZEBMWTVQFP-UHFFFAOYSA-N 1 0 415.291 4.450 20 5 HIBDRO Cc1ccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000237771972 854093923 /nfs/dbraw/zinc/09/39/23/854093923.db2.gz VULHHWXDVQJGGM-HXUWFJFHSA-N 1 0 423.435 4.085 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(-n3cncn3)cc2)ccc1Oc1ccc(F)cc1 ZINC000237882885 854113901 /nfs/dbraw/zinc/11/39/01/854113901.db2.gz MEJSHMIWOOUCFQ-UHFFFAOYSA-N 1 0 419.416 4.397 20 5 HIBDRO Cn1cc(C[NH2+]Cc2cc(Br)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237930288 854120861 /nfs/dbraw/zinc/12/08/61/854120861.db2.gz VIUGGODXPWRIGQ-UHFFFAOYSA-N 1 0 407.293 4.109 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237934011 854121752 /nfs/dbraw/zinc/12/17/52/854121752.db2.gz FAODRHMEDYVNFN-UHFFFAOYSA-N 1 0 401.264 4.048 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccc(O)cc2)cc1 ZINC000237991457 854129505 /nfs/dbraw/zinc/12/95/05/854129505.db2.gz RULYIDAYCWMOST-UHFFFAOYSA-N 1 0 400.438 4.443 20 5 HIBDRO O=C(CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1Cc2ccccc2C1 ZINC000237997931 854130921 /nfs/dbraw/zinc/13/09/21/854130921.db2.gz HCCWPXCQLXRECO-UHFFFAOYSA-N 1 0 422.510 4.131 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNc3ccccc3C[NH+]3CCC(O)CC3)cs2)c1 ZINC000238161581 854149606 /nfs/dbraw/zinc/14/96/06/854149606.db2.gz BPADHIYLLSLPQQ-UHFFFAOYSA-N 1 0 424.526 4.287 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261421977 854256085 /nfs/dbraw/zinc/25/60/85/854256085.db2.gz HZWBXDMDQKMWMX-CXAGYDPISA-N 1 0 411.380 4.020 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301106944 854298686 /nfs/dbraw/zinc/29/86/86/854298686.db2.gz QAFUHXLDBSXMQJ-IYBDPMFKSA-N 1 0 421.501 4.334 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301567341 854421692 /nfs/dbraw/zinc/42/16/92/854421692.db2.gz JZTDVNDYESPUEF-YLJYHZDGSA-N 1 0 410.518 4.056 20 5 HIBDRO O=C(c1ccccc1)c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000301712333 854450614 /nfs/dbraw/zinc/45/06/14/854450614.db2.gz VNDGUQBOBIZPKF-GGAORHGYSA-N 1 0 423.513 4.006 20 5 HIBDRO C[C@@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)C[C@@H](C)O1 ZINC000301973154 854507105 /nfs/dbraw/zinc/50/71/05/854507105.db2.gz AAVFWJXSZFSBLD-IAGOWNOFSA-N 1 0 405.539 4.098 20 5 HIBDRO Cc1cc(N2CCC(NC(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302160347 854539603 /nfs/dbraw/zinc/53/96/03/854539603.db2.gz JQBPVZTWMXDRIQ-UHFFFAOYSA-N 1 0 405.458 4.242 20 5 HIBDRO Cc1cc(N2CCC(c3nc(-c4ccccn4)no3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302208608 854550986 /nfs/dbraw/zinc/55/09/86/854550986.db2.gz XTKGZEUDQXAABI-UHFFFAOYSA-N 1 0 416.441 4.280 20 5 HIBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000303156778 854790805 /nfs/dbraw/zinc/79/08/05/854790805.db2.gz SLVIMKRQGLEDLF-MRXNPFEDSA-N 1 0 408.458 4.141 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCCO)[C@H]3CCc4ccccc43)o2)c1 ZINC000303540044 855025323 /nfs/dbraw/zinc/02/53/23/855025323.db2.gz HRVKSHGTYAHLBT-NRFANRHFSA-N 1 0 407.470 4.164 20 5 HIBDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000409858281 855691739 /nfs/dbraw/zinc/69/17/39/855691739.db2.gz JUDZSVUMOXYCHY-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCCCC1 ZINC000410089897 855814596 /nfs/dbraw/zinc/81/45/96/855814596.db2.gz VTWGSDJSMJYQRV-FQEVSTJZSA-N 1 0 422.485 4.042 20 5 HIBDRO CCOc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OCC(C)C ZINC000425980383 856029752 /nfs/dbraw/zinc/02/97/52/856029752.db2.gz KUMLJBYJUBCCSA-UHFFFAOYSA-N 1 0 402.495 4.062 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000426005109 856042151 /nfs/dbraw/zinc/04/21/51/856042151.db2.gz WTMCLVLYSHESTA-UHFFFAOYSA-N 1 0 420.395 4.037 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000426033659 856061218 /nfs/dbraw/zinc/06/12/18/856061218.db2.gz FTRVJKUXJMAUCU-ROUUACIJSA-N 1 0 402.539 4.027 20 5 HIBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426044426 856069702 /nfs/dbraw/zinc/06/97/02/856069702.db2.gz SIBOJUOHZRCAPR-QFIPXVFZSA-N 1 0 408.502 4.106 20 5 HIBDRO CCOc1cc(C[N@H+](C)C2(C)CCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000426504254 856322947 /nfs/dbraw/zinc/32/29/47/856322947.db2.gz LZCOLLONLRJJCN-UHFFFAOYSA-N 1 0 416.522 4.342 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000437584722 862899114 /nfs/dbraw/zinc/89/91/14/862899114.db2.gz XZQMYSLSGSZHJS-GOSISDBHSA-N 1 0 424.419 4.060 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000429435202 857666121 /nfs/dbraw/zinc/66/61/21/857666121.db2.gz SQXAKYPKIPSLNL-CABCVRRESA-N 1 0 407.308 4.168 20 5 HIBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCCCC2 ZINC000429782821 857883823 /nfs/dbraw/zinc/88/38/23/857883823.db2.gz GRHWQUPBGKDTAO-JCGIZDLHSA-N 1 0 400.479 4.423 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000430229111 858089465 /nfs/dbraw/zinc/08/94/65/858089465.db2.gz FKOXKDRIGNRGJO-WZONZLPQSA-N 1 0 420.469 4.207 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000430666839 858258992 /nfs/dbraw/zinc/25/89/92/858258992.db2.gz ZQGUOCIMUMTXSC-WMLDXEAASA-N 1 0 421.419 4.397 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430765871 858296232 /nfs/dbraw/zinc/29/62/32/858296232.db2.gz TVCZTNACTANBOB-WHSLLNHNSA-N 1 0 402.516 4.482 20 5 HIBDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C[C@H](C)O2 ZINC000430765872 858296387 /nfs/dbraw/zinc/29/63/87/858296387.db2.gz TVCZTNACTANBOB-XFQAVAEZSA-N 1 0 402.516 4.482 20 5 HIBDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C[C@H](C)O2 ZINC000430769524 858297964 /nfs/dbraw/zinc/29/79/64/858297964.db2.gz WCJHESZNLBTAEF-XFQAVAEZSA-N 1 0 402.516 4.482 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000430813477 858314097 /nfs/dbraw/zinc/31/40/97/858314097.db2.gz DWQMBCWRIDLBDT-BBRMVZONSA-N 1 0 401.429 4.244 20 5 HIBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000430864290 858343010 /nfs/dbraw/zinc/34/30/10/858343010.db2.gz JYDFNOPJSXXPRE-UZLBHIALSA-N 1 0 411.527 4.302 20 5 HIBDRO CCOc1cc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c([N+](=O)[O-])cc1OC ZINC000431128905 858459826 /nfs/dbraw/zinc/45/98/26/858459826.db2.gz WVTLZDLWPIWFRJ-UHFFFAOYSA-N 1 0 413.474 4.159 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000431619350 858694153 /nfs/dbraw/zinc/69/41/53/858694153.db2.gz GBJCUXHIIZKXQX-UHFFFAOYSA-N 1 0 404.555 4.273 20 5 HIBDRO C[C@@H]1C[N@H+](CCCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432347428 859113882 /nfs/dbraw/zinc/11/38/82/859113882.db2.gz NHEUBZPLPOBONM-QGZVFWFLSA-N 1 0 417.481 4.117 20 5 HIBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433168077 859550314 /nfs/dbraw/zinc/55/03/14/859550314.db2.gz QGCACTVPSFXKTJ-LEWJYISDSA-N 1 0 409.486 4.225 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433177133 859555378 /nfs/dbraw/zinc/55/53/78/859555378.db2.gz PZTKMRCLBUBDNJ-SIKLNZKXSA-N 1 0 423.513 4.016 20 5 HIBDRO CC1(C)C[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433239224 859585626 /nfs/dbraw/zinc/58/56/26/859585626.db2.gz FKXYUPSNTCKKEL-JOCHJYFZSA-N 1 0 422.529 4.127 20 5 HIBDRO CC1(C)C[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433295529 859621738 /nfs/dbraw/zinc/62/17/38/859621738.db2.gz PQUBSXGVFZRDGG-ROUUACIJSA-N 1 0 405.292 4.403 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433303903 859627641 /nfs/dbraw/zinc/62/76/41/859627641.db2.gz MDMXNRAKHLNACE-OAHLLOKOSA-N 1 0 403.866 4.075 20 5 HIBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433318271 859637486 /nfs/dbraw/zinc/63/74/86/859637486.db2.gz KYOWUUDUWBCELZ-OAHLLOKOSA-N 1 0 403.866 4.075 20 5 HIBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000467720678 881519828 /nfs/dbraw/zinc/51/98/28/881519828.db2.gz BODPUPNRVFUBMW-AWEZNQCLSA-N 1 0 419.934 4.423 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000434960658 860575340 /nfs/dbraw/zinc/57/53/40/860575340.db2.gz WAPMXGOXFTVEPU-UHFFFAOYSA-N 1 0 404.898 4.126 20 5 HIBDRO Cc1c(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435325191 860736613 /nfs/dbraw/zinc/73/66/13/860736613.db2.gz ZBHUCPBPKRGFIQ-LBPRGKRZSA-N 1 0 413.316 4.052 20 5 HIBDRO CC(C)c1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000467844835 881689041 /nfs/dbraw/zinc/68/90/41/881689041.db2.gz VVRZVPFCCWZOGJ-UHFFFAOYSA-N 1 0 401.532 4.422 20 5 HIBDRO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438821118 864314617 /nfs/dbraw/zinc/31/46/17/864314617.db2.gz RQUKHVCURCQILS-LJQANCHMSA-N 1 0 414.502 4.001 20 5 HIBDRO COc1ccc([C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000439211304 864633041 /nfs/dbraw/zinc/63/30/41/864633041.db2.gz QMIUHECXOIILJS-IBGZPJMESA-N 1 0 417.893 4.132 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000440324941 865598694 /nfs/dbraw/zinc/59/86/94/865598694.db2.gz JKERCAGVABHMDB-UHFFFAOYSA-N 1 0 420.307 4.215 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440445421 865746508 /nfs/dbraw/zinc/74/65/08/865746508.db2.gz RFNRZXORAPDJLP-KRWDZBQOSA-N 1 0 421.419 4.121 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000440522213 865803957 /nfs/dbraw/zinc/80/39/57/865803957.db2.gz UMEYYBBMOWQIBD-LJQANCHMSA-N 1 0 413.543 4.058 20 5 HIBDRO C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000442714470 867642419 /nfs/dbraw/zinc/64/24/19/867642419.db2.gz LMKLDNYNZWNHTM-HNNXBMFYSA-N 1 0 401.532 4.452 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443658048 868259235 /nfs/dbraw/zinc/25/92/35/868259235.db2.gz NDXBIYNLWHLAIH-INIZCTEOSA-N 1 0 403.866 4.039 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000443961506 868494765 /nfs/dbraw/zinc/49/47/65/868494765.db2.gz PWTXYUNEIGCWNZ-DNVCBOLYSA-N 1 0 402.520 4.478 20 5 HIBDRO COc1cccc(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000444024366 868552651 /nfs/dbraw/zinc/55/26/51/868552651.db2.gz QJHUVFRQCVBBOZ-UHFFFAOYSA-N 1 0 411.502 4.298 20 5 HIBDRO COc1cccc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000444031712 868564822 /nfs/dbraw/zinc/56/48/22/868564822.db2.gz ATYZSNKUOIITOG-CALCHBBNSA-N 1 0 411.502 4.011 20 5 HIBDRO COc1cccc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000444040934 868580057 /nfs/dbraw/zinc/58/00/57/868580057.db2.gz UWVHGTKWSPJGOX-CALCHBBNSA-N 1 0 411.502 4.011 20 5 HIBDRO CC1CCC([N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]2CCCO2)CC1 ZINC000444196473 868660191 /nfs/dbraw/zinc/66/01/91/868660191.db2.gz MUDPDGJDHOZUCV-KVWWFHCMSA-N 1 0 400.479 4.205 20 5 HIBDRO CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000444232514 868681821 /nfs/dbraw/zinc/68/18/21/868681821.db2.gz AQYUYBPKFVQUCW-HXUWFJFHSA-N 1 0 411.505 4.028 20 5 HIBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282952 868712591 /nfs/dbraw/zinc/71/25/91/868712591.db2.gz BIRYVJVNEOPUOT-MRXNPFEDSA-N 1 0 417.484 4.071 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444751219 868987233 /nfs/dbraw/zinc/98/72/33/868987233.db2.gz CHEITSITMHGGLD-QWHCGFSZSA-N 1 0 412.471 4.102 20 5 HIBDRO Cc1cccc2nc(C3CC[NH+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)oc21 ZINC000444786004 869003910 /nfs/dbraw/zinc/00/39/10/869003910.db2.gz SAJAYIQWEGWYCD-UHFFFAOYSA-N 1 0 408.458 4.253 20 5 HIBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445178436 869262581 /nfs/dbraw/zinc/26/25/81/869262581.db2.gz HWJUQKFVYKKYPC-UHFFFAOYSA-N 1 0 403.526 4.066 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000468385222 882329696 /nfs/dbraw/zinc/32/96/96/882329696.db2.gz RGYHNHXFMYTSAV-AWEZNQCLSA-N 1 0 420.307 4.297 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000468385223 882330603 /nfs/dbraw/zinc/33/06/03/882330603.db2.gz RGYHNHXFMYTSAV-CQSZACIVSA-N 1 0 420.307 4.297 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000446002338 869965800 /nfs/dbraw/zinc/96/58/00/869965800.db2.gz MDYBTIKSTZHWKR-QGPMSJSTSA-N 1 0 424.419 4.279 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000446003203 869966638 /nfs/dbraw/zinc/96/66/38/869966638.db2.gz PGHXLKABJKRUHI-RDJZCZTQSA-N 1 0 407.392 4.138 20 5 HIBDRO COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)[NH+]2CCCCC2)cc1 ZINC000446499075 870416733 /nfs/dbraw/zinc/41/67/33/870416733.db2.gz OHPSDVIGTZGDDF-NRFANRHFSA-N 1 0 412.490 4.261 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000446977770 870875254 /nfs/dbraw/zinc/87/52/54/870875254.db2.gz RIRYBXGMWBZFHV-SJKOYZFVSA-N 1 0 400.422 4.459 20 5 HIBDRO COC1(CO)CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000447066369 870947006 /nfs/dbraw/zinc/94/70/06/870947006.db2.gz KIELBPGJJCSGMA-UHFFFAOYSA-N 1 0 406.866 4.014 20 5 HIBDRO COCC[C@]1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOC1 ZINC000447094700 870991256 /nfs/dbraw/zinc/99/12/56/870991256.db2.gz UXNMXZIKEIAEGQ-FQEVSTJZSA-N 1 0 406.866 4.326 20 5 HIBDRO O=C(Nc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1)c1cccnc1 ZINC000447527855 871394168 /nfs/dbraw/zinc/39/41/68/871394168.db2.gz GGJDSSJSBUAXPL-JOCHJYFZSA-N 1 0 402.454 4.409 20 5 HIBDRO O=C1[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccc(F)cc1F ZINC000447599975 871506002 /nfs/dbraw/zinc/50/60/02/871506002.db2.gz LEPJLBCDFCTNIO-RTWAWAEBSA-N 1 0 415.440 4.031 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)cc3c1OCC3)CCC2 ZINC000447601415 871507539 /nfs/dbraw/zinc/50/75/39/871507539.db2.gz PYCFGGSOYAHDAP-SFHVURJKSA-N 1 0 403.276 4.459 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000447670203 871601344 /nfs/dbraw/zinc/60/13/44/871601344.db2.gz ITKHZDZEKUQIEI-WCQYABFASA-N 1 0 420.382 4.097 20 5 HIBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccccc1 ZINC000447693578 871629567 /nfs/dbraw/zinc/62/95/67/871629567.db2.gz NEAMWUKUUOLCBA-ZDUSSCGKSA-N 1 0 404.339 4.359 20 5 HIBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cccc21 ZINC000447722664 871666430 /nfs/dbraw/zinc/66/64/30/871666430.db2.gz KIWKUASGWGTGLP-AWEZNQCLSA-N 1 0 409.364 4.251 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448257427 872182368 /nfs/dbraw/zinc/18/23/68/872182368.db2.gz VCCVBYJMUWRTLK-PBHICJAKSA-N 1 0 421.419 4.254 20 5 HIBDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357150 872304257 /nfs/dbraw/zinc/30/42/57/872304257.db2.gz VVQVZWYJWKWQOU-LAPQFRIASA-N 1 0 406.866 4.277 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000460855783 873756749 /nfs/dbraw/zinc/75/67/49/873756749.db2.gz KYHVXGZTKNZVFJ-LJQANCHMSA-N 1 0 423.435 4.355 20 5 HIBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH2+][C@H](C)c1ccccc1 ZINC000468699440 882820039 /nfs/dbraw/zinc/82/00/39/882820039.db2.gz IFYBZQGPVSQBFE-SJLPKXTDSA-N 1 0 419.547 4.176 20 5 HIBDRO CCC(CC)(CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1 ZINC000468700243 882820736 /nfs/dbraw/zinc/82/07/36/882820736.db2.gz PVHVVZYVSJLPNV-INIZCTEOSA-N 1 0 419.547 4.320 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461447330 874506348 /nfs/dbraw/zinc/50/63/48/874506348.db2.gz VZYSFLFCBWZSMU-GOSISDBHSA-N 1 0 409.486 4.335 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000461466906 874524283 /nfs/dbraw/zinc/52/42/83/874524283.db2.gz LEYAFLFIDQZBTK-LJQANCHMSA-N 1 0 411.502 4.026 20 5 HIBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000461470951 874527191 /nfs/dbraw/zinc/52/71/91/874527191.db2.gz KKVITTFQAKGWRH-SFHVURJKSA-N 1 0 406.486 4.108 20 5 HIBDRO Cc1cc(NCc2ccncc2OCCC[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461890991 875039595 /nfs/dbraw/zinc/03/95/95/875039595.db2.gz UADZIGCZZZLIPS-UHFFFAOYSA-N 1 0 412.412 4.260 20 5 HIBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461950101 875081231 /nfs/dbraw/zinc/08/12/31/875081231.db2.gz SFLWXJPQAHLUDU-SJLPKXTDSA-N 1 0 401.429 4.102 20 5 HIBDRO Cc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461951909 875082169 /nfs/dbraw/zinc/08/21/69/875082169.db2.gz DJPMJDKQAKPHOG-INIZCTEOSA-N 1 0 408.424 4.275 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000462389443 875499228 /nfs/dbraw/zinc/49/92/28/875499228.db2.gz RGMRQJLZRXOKEI-FQEVSTJZSA-N 1 0 424.545 4.253 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462545949 875668237 /nfs/dbraw/zinc/66/82/37/875668237.db2.gz CZGOAYJADSQTRG-UGKGYDQZSA-N 1 0 412.486 4.230 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462545947 875668897 /nfs/dbraw/zinc/66/88/97/875668897.db2.gz CZGOAYJADSQTRG-KNQAVFIVSA-N 1 0 412.486 4.230 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462631433 875742744 /nfs/dbraw/zinc/74/27/44/875742744.db2.gz NKIFBDNUVPBJGS-FGZHOGPDSA-N 1 0 409.530 4.144 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462631432 875743160 /nfs/dbraw/zinc/74/31/60/875743160.db2.gz NKIFBDNUVPBJGS-FCHUYYIVSA-N 1 0 409.530 4.144 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462631436 875743310 /nfs/dbraw/zinc/74/33/10/875743310.db2.gz NKIFBDNUVPBJGS-YADHBBJMSA-N 1 0 409.530 4.144 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000462746348 875813957 /nfs/dbraw/zinc/81/39/57/875813957.db2.gz QKMQJVGIYWUNON-NYVOZVTQSA-N 1 0 417.465 4.101 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000462752492 875818352 /nfs/dbraw/zinc/81/83/52/875818352.db2.gz AKPNUTNRVGMFFG-MJGOQNOKSA-N 1 0 401.532 4.178 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000462752490 875818370 /nfs/dbraw/zinc/81/83/70/875818370.db2.gz AKPNUTNRVGMFFG-HKUYNNGSSA-N 1 0 401.532 4.178 20 5 HIBDRO CC[NH+](CC)CC1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000462790450 875843279 /nfs/dbraw/zinc/84/32/79/875843279.db2.gz OGWWAZVXQJRJRC-UHFFFAOYSA-N 1 0 421.339 4.464 20 5 HIBDRO COc1cc(C[N@H+](C(C)C)[C@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462872331 875902512 /nfs/dbraw/zinc/90/25/12/875902512.db2.gz DWERZCKKUZMOJK-FQEVSTJZSA-N 1 0 400.475 4.182 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCN(c4ccccc4F)C3)cs2)c1 ZINC000462910449 875935693 /nfs/dbraw/zinc/93/56/93/875935693.db2.gz RAXYRPRPTKJHCM-HNNXBMFYSA-N 1 0 412.490 4.474 20 5 HIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)cc1[N+](=O)[O-] ZINC000463026214 876046058 /nfs/dbraw/zinc/04/60/58/876046058.db2.gz VSQLWXYLLJNPEU-CQSZACIVSA-N 1 0 423.307 4.278 20 5 HIBDRO C[N@H+](CCc1cccc(Br)c1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000463429988 876486144 /nfs/dbraw/zinc/48/61/44/876486144.db2.gz SGQLWBIPPIZOEO-UHFFFAOYSA-N 1 0 417.263 4.082 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)co2)cc1 ZINC000463439568 876496856 /nfs/dbraw/zinc/49/68/56/876496856.db2.gz AEEAXFMDXDNDSJ-HSZRJFAPSA-N 1 0 407.470 4.067 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463709821 876829230 /nfs/dbraw/zinc/82/92/30/876829230.db2.gz LGEKMLGGJGLRNA-INIZCTEOSA-N 1 0 407.392 4.008 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463825715 876941212 /nfs/dbraw/zinc/94/12/12/876941212.db2.gz JKOLWDMANPZVJT-CABCVRRESA-N 1 0 413.440 4.340 20 5 HIBDRO CCc1nc2ccccc2n1C1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000464501942 877725389 /nfs/dbraw/zinc/72/53/89/877725389.db2.gz OTSBOVTWLUIVBT-UHFFFAOYSA-N 1 0 412.465 4.492 20 5 HIBDRO C[C@H]1C[C@]1([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000503409678 912390767 /nfs/dbraw/zinc/39/07/67/912390767.db2.gz VGTMNJBUKYNOSB-RNODOKPDSA-N 1 0 401.850 4.071 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466513082 880287983 /nfs/dbraw/zinc/28/79/83/880287983.db2.gz GYAMZCPYQAXBJD-WIYYLYMNSA-N 1 0 410.518 4.178 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(S(=O)(=O)CC)c1 ZINC000467420854 881211513 /nfs/dbraw/zinc/21/15/13/881211513.db2.gz VHSCLVLITZDQNP-MRXNPFEDSA-N 1 0 408.545 4.049 20 5 HIBDRO C[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000470042619 884283386 /nfs/dbraw/zinc/28/33/86/884283386.db2.gz FQXJZNNATRLOBM-UGSOOPFHSA-N 1 0 424.423 4.277 20 5 HIBDRO C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000470042616 884284434 /nfs/dbraw/zinc/28/44/34/884284434.db2.gz FQXJZNNATRLOBM-ACJLOTCBSA-N 1 0 424.423 4.277 20 5 HIBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@H]1C ZINC000470155582 884428106 /nfs/dbraw/zinc/42/81/06/884428106.db2.gz ZOGUFBAYVIXXMV-FZMZJTMJSA-N 1 0 423.263 4.001 20 5 HIBDRO COc1ccc(CNC(=O)C2CC[NH+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000470177719 884458424 /nfs/dbraw/zinc/45/84/24/884458424.db2.gz FALURNPDKBIYDZ-JXAWBTAJSA-N 1 0 423.513 4.035 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000470178573 884461159 /nfs/dbraw/zinc/46/11/59/884461159.db2.gz LAQKUEHXCBUAMD-ZROIWOOFSA-N 1 0 405.296 4.294 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000470184397 884473903 /nfs/dbraw/zinc/47/39/03/884473903.db2.gz SCMSZEHMHPTJHA-OBGWFSINSA-N 1 0 405.498 4.299 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)[C@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503944766 912877213 /nfs/dbraw/zinc/87/72/13/912877213.db2.gz IIHDKCPHKIXQGT-APWZRJJASA-N 1 0 400.475 4.087 20 5 HIBDRO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000470610682 885036988 /nfs/dbraw/zinc/03/69/88/885036988.db2.gz FILCPJXYLHFKAD-RXVVDRJESA-N 1 0 410.518 4.004 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470909825 885418708 /nfs/dbraw/zinc/41/87/08/885418708.db2.gz VNTPMOLYBFGEDU-IBGZPJMESA-N 1 0 415.465 4.052 20 5 HIBDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC[N@@H+]2C2CC2)c1 ZINC000471926462 886716092 /nfs/dbraw/zinc/71/60/92/886716092.db2.gz DGWHQYHCXJZXHT-NHCUHLMSSA-N 1 0 410.474 4.011 20 5 HIBDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000473172138 887948356 /nfs/dbraw/zinc/94/83/56/887948356.db2.gz WAQUVXCJNDUCSU-UHFFFAOYSA-N 1 0 405.458 4.204 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOC(F)(F)F)cc1 ZINC000473989381 888850555 /nfs/dbraw/zinc/85/05/55/888850555.db2.gz ABGGGQONSIPHPI-UHFFFAOYSA-N 1 0 406.364 4.074 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000474220089 889058143 /nfs/dbraw/zinc/05/81/43/889058143.db2.gz SGZHKCOZOHNGJH-GOSISDBHSA-N 1 0 424.457 4.300 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000504538388 913316514 /nfs/dbraw/zinc/31/65/14/913316514.db2.gz JGUWDGBOLJEWQV-UHFFFAOYSA-N 1 0 414.531 4.138 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2cccc(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474373881 889251119 /nfs/dbraw/zinc/25/11/19/889251119.db2.gz NRKANWZBRJEKMU-OAQYLSRUSA-N 1 0 400.475 4.332 20 5 HIBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000474585733 889456397 /nfs/dbraw/zinc/45/63/97/889456397.db2.gz SQRFIGXOFUNQOF-UHFFFAOYSA-N 1 0 403.866 4.207 20 5 HIBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000474830219 889688481 /nfs/dbraw/zinc/68/84/81/889688481.db2.gz FWRHKXFECCISEC-QFIPXVFZSA-N 1 0 413.905 4.377 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000475192554 890061480 /nfs/dbraw/zinc/06/14/80/890061480.db2.gz QXFCXAFQECDEOY-MLGOLLRUSA-N 1 0 412.412 4.094 20 5 HIBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)[C@H]2CCCSC2)ccc1Oc1ccc(F)cc1 ZINC000475507528 890424384 /nfs/dbraw/zinc/42/43/84/890424384.db2.gz GGIQWZCPVMCTJN-KRWDZBQOSA-N 1 0 406.479 4.216 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[NH+]1CCCC1 ZINC000475557704 890485930 /nfs/dbraw/zinc/48/59/30/890485930.db2.gz BFDAOJXNIXTZFL-HXUWFJFHSA-N 1 0 412.490 4.179 20 5 HIBDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC[N@@H+]2C2CC2)c1 ZINC000475564629 890494475 /nfs/dbraw/zinc/49/44/75/890494475.db2.gz NBIWFSYPHQVXEJ-DENIHFKCSA-N 1 0 424.501 4.320 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000475644454 890587004 /nfs/dbraw/zinc/58/70/04/890587004.db2.gz ZBZPBZXWGCQPRO-UHFFFAOYSA-N 1 0 400.454 4.137 20 5 HIBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477083397 892017441 /nfs/dbraw/zinc/01/74/41/892017441.db2.gz PLKMLWQCLGCNTC-UHFFFAOYSA-N 1 0 418.497 4.204 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000504899141 913630199 /nfs/dbraw/zinc/63/01/99/913630199.db2.gz BGDCPLUXGYSTRM-GFCCVEGCSA-N 1 0 422.279 4.045 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000504906098 913638721 /nfs/dbraw/zinc/63/87/21/913638721.db2.gz SWYHLJDENOOYLL-GOSISDBHSA-N 1 0 421.607 4.479 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000504906506 913641536 /nfs/dbraw/zinc/64/15/36/913641536.db2.gz YZQILXSJKBYTIY-MRXNPFEDSA-N 1 0 423.469 4.367 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000477616076 892713750 /nfs/dbraw/zinc/71/37/50/892713750.db2.gz YIPYBMHSRJBUFU-IBGZPJMESA-N 1 0 401.894 4.432 20 5 HIBDRO COc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc([N+](=O)[O-])c1C ZINC000477670542 892803654 /nfs/dbraw/zinc/80/36/54/892803654.db2.gz SDYCLQCIOYFLOJ-INIZCTEOSA-N 1 0 403.523 4.029 20 5 HIBDRO Cc1c(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000478517364 893824842 /nfs/dbraw/zinc/82/48/42/893824842.db2.gz RDSJIFJIPCIADJ-LBPRGKRZSA-N 1 0 406.280 4.173 20 5 HIBDRO Cc1c(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000478788064 894064055 /nfs/dbraw/zinc/06/40/55/894064055.db2.gz QSIYRQFIEQOVJE-QGZVFWFLSA-N 1 0 410.518 4.277 20 5 HIBDRO O=C1[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1c1ccccc1C(F)(F)F ZINC000479418655 894728476 /nfs/dbraw/zinc/72/84/76/894728476.db2.gz KHVCUGPLNAASND-GMNBZTITSA-N 1 0 405.376 4.022 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cccc(OCC(F)(F)F)c2)n1 ZINC000479514067 894827321 /nfs/dbraw/zinc/82/73/21/894827321.db2.gz GLEZJKJFSCOHGB-DLBZAZTESA-N 1 0 412.412 4.048 20 5 HIBDRO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000480357739 895764109 /nfs/dbraw/zinc/76/41/09/895764109.db2.gz AOMGBGCMDAPCRF-UHFFFAOYSA-N 1 0 403.482 4.417 20 5 HIBDRO COC(=O)c1csc(-c2cccc(C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])c2)n1 ZINC000480493814 895866362 /nfs/dbraw/zinc/86/63/62/895866362.db2.gz FOTKECFVCJPNRW-WEVVVXLNSA-N 1 0 409.467 4.308 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC1 ZINC000480524887 895888480 /nfs/dbraw/zinc/88/84/80/895888480.db2.gz JKXLLGXSBQOPIQ-QHCPKHFHSA-N 1 0 422.529 4.153 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000480697330 896060148 /nfs/dbraw/zinc/06/01/48/896060148.db2.gz ATHRDMVVXLFVTH-UHFFFAOYSA-N 1 0 401.532 4.477 20 5 HIBDRO Cc1cc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c2ccccc2n1 ZINC000481180866 896521122 /nfs/dbraw/zinc/52/11/22/896521122.db2.gz NCMAPUWIVYRVQS-UHFFFAOYSA-N 1 0 416.485 4.040 20 5 HIBDRO Cn1cc([C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c2ccc(F)cc2)cn1 ZINC000481437129 896836419 /nfs/dbraw/zinc/83/64/19/896836419.db2.gz ORZOOQGBFYJOGI-QFIPXVFZSA-N 1 0 421.432 4.044 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481773995 897158623 /nfs/dbraw/zinc/15/86/23/897158623.db2.gz CNGQTUDQOZUQKA-UHFFFAOYSA-N 1 0 415.877 4.375 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481872893 897243448 /nfs/dbraw/zinc/24/34/48/897243448.db2.gz JFTBAAAYFVJLLT-NQIIRXRSSA-N 1 0 419.481 4.468 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482146740 897608741 /nfs/dbraw/zinc/60/87/41/897608741.db2.gz BGLCZFCCXOBNTJ-VDZJLULYSA-N 1 0 401.511 4.196 20 5 HIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505502996 914192205 /nfs/dbraw/zinc/19/22/05/914192205.db2.gz JRVPJKQLZUVVOR-BTYIYWSLSA-N 1 0 422.428 4.115 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(c4nnc5n4CCCC5)CC3)o2)cc1 ZINC000482489864 898068228 /nfs/dbraw/zinc/06/82/28/898068228.db2.gz WFNAVILIEMJHEF-UHFFFAOYSA-N 1 0 407.474 4.162 20 5 HIBDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496667 898077722 /nfs/dbraw/zinc/07/77/22/898077722.db2.gz RWYKYFOTBCFLJZ-GDBMZVCRSA-N 1 0 422.865 4.051 20 5 HIBDRO Cc1c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482770131 898377319 /nfs/dbraw/zinc/37/73/19/898377319.db2.gz MTLBVJFTQOIOOH-SIKLNZKXSA-N 1 0 408.502 4.422 20 5 HIBDRO Cc1c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482770129 898377643 /nfs/dbraw/zinc/37/76/43/898377643.db2.gz MTLBVJFTQOIOOH-DENIHFKCSA-N 1 0 408.502 4.422 20 5 HIBDRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000482883926 898497181 /nfs/dbraw/zinc/49/71/81/898497181.db2.gz BJHCTUSRRZECSM-CQSZACIVSA-N 1 0 420.307 4.057 20 5 HIBDRO Cc1nc(CN2CCC(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)oc1C ZINC000482889378 898506475 /nfs/dbraw/zinc/50/64/75/898506475.db2.gz LTPOOEQELYHCSV-OAQYLSRUSA-N 1 0 412.534 4.023 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)nc2c1 ZINC000483471108 899113804 /nfs/dbraw/zinc/11/38/04/899113804.db2.gz QDOQHTAWLOIYGI-GHTZIAJQSA-N 1 0 406.486 4.223 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000483558764 899216310 /nfs/dbraw/zinc/21/63/10/899216310.db2.gz IDJXDBUTOMVZNP-ZWKOTPCHSA-N 1 0 405.564 4.289 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000484408331 899931608 /nfs/dbraw/zinc/93/16/08/899931608.db2.gz UJYFRIKSHPIUPZ-UHFFFAOYSA-N 1 0 415.515 4.066 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000484888249 900272161 /nfs/dbraw/zinc/27/21/61/900272161.db2.gz POQLWLAKBUVBBK-ZDUSSCGKSA-N 1 0 411.380 4.481 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 ZINC000485143903 900444314 /nfs/dbraw/zinc/44/43/14/900444314.db2.gz GNEAGEOAAUPJFG-OAHLLOKOSA-N 1 0 413.446 4.071 20 5 HIBDRO CSc1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517403 900801482 /nfs/dbraw/zinc/80/14/82/900801482.db2.gz SCZAXIMEYMJSKP-WBVHZDCISA-N 1 0 423.897 4.284 20 5 HIBDRO CC1CC[NH+](Cc2ccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000485606987 900866260 /nfs/dbraw/zinc/86/62/60/900866260.db2.gz CNDASDXHAHSWIH-UHFFFAOYSA-N 1 0 403.429 4.286 20 5 HIBDRO CSc1cccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c1[N+](=O)[O-] ZINC000486250488 901432826 /nfs/dbraw/zinc/43/28/26/901432826.db2.gz GGGGLOLFFPCFOT-UHFFFAOYSA-N 1 0 417.556 4.426 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486427350 901585376 /nfs/dbraw/zinc/58/53/76/901585376.db2.gz WUNVSZPLXWPXPP-SFHVURJKSA-N 1 0 413.543 4.301 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486466378 901628165 /nfs/dbraw/zinc/62/81/65/901628165.db2.gz XBHXJYLQCUAHSX-XRNHCUPBSA-N 1 0 408.502 4.387 20 5 HIBDRO CSc1cccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000486481989 901641376 /nfs/dbraw/zinc/64/13/76/901641376.db2.gz LBNGMVPAGHWDHM-UHFFFAOYSA-N 1 0 405.545 4.020 20 5 HIBDRO C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000487182102 902089682 /nfs/dbraw/zinc/08/96/82/902089682.db2.gz ABGIIQLVFNYQKH-KKSFZXQISA-N 1 0 404.470 4.078 20 5 HIBDRO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487185565 902091144 /nfs/dbraw/zinc/09/11/44/902091144.db2.gz MGFGXHMEEWMVJP-DENIHFKCSA-N 1 0 424.545 4.127 20 5 HIBDRO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)nc1 ZINC000489157754 903236756 /nfs/dbraw/zinc/23/67/56/903236756.db2.gz PDUQVZJAPAWIHG-UHFFFAOYSA-N 1 0 402.520 4.278 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489585773 903479856 /nfs/dbraw/zinc/47/98/56/903479856.db2.gz QHQROXJLEAFGOH-IRFPFTSISA-N 1 0 422.529 4.459 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489867465 903639835 /nfs/dbraw/zinc/63/98/35/903639835.db2.gz AFSIWBRVLOPEQR-QGZVFWFLSA-N 1 0 413.543 4.443 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000489869446 903641478 /nfs/dbraw/zinc/64/14/78/903641478.db2.gz FKHIKQGOGCSEGH-ROUUACIJSA-N 1 0 402.539 4.027 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000490016940 903726474 /nfs/dbraw/zinc/72/64/74/903726474.db2.gz IFCAKMOXKKEHRX-HNNXBMFYSA-N 1 0 414.531 4.138 20 5 HIBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490072266 903758823 /nfs/dbraw/zinc/75/88/23/903758823.db2.gz ARJVVVKLMWRDLP-IBGZPJMESA-N 1 0 405.882 4.205 20 5 HIBDRO C[C@H](OC[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451338 904018169 /nfs/dbraw/zinc/01/81/69/904018169.db2.gz GMGJRHBEABEBJX-BTYIYWSLSA-N 1 0 404.894 4.351 20 5 HIBDRO CC(C)(NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000491004543 904364701 /nfs/dbraw/zinc/36/47/01/904364701.db2.gz STDNETPORVAESG-OAQYLSRUSA-N 1 0 424.545 4.430 20 5 HIBDRO O=C(c1ccco1)N1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491388259 904572299 /nfs/dbraw/zinc/57/22/99/904572299.db2.gz ZPPZROTWPJHKPW-JOCHJYFZSA-N 1 0 405.454 4.172 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491425465 904592027 /nfs/dbraw/zinc/59/20/27/904592027.db2.gz ZQUFDFPUECMIOI-FDDCHVKYSA-N 1 0 422.529 4.179 20 5 HIBDRO O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000491951389 904739394 /nfs/dbraw/zinc/73/93/94/904739394.db2.gz BJTUGLHWRLAZBG-UHFFFAOYSA-N 1 0 424.284 4.458 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000491983672 904751581 /nfs/dbraw/zinc/75/15/81/904751581.db2.gz VVWPNQLTIUCMSL-CYBMUJFWSA-N 1 0 410.879 4.029 20 5 HIBDRO CSc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000492727203 904894503 /nfs/dbraw/zinc/89/45/03/904894503.db2.gz HBAKGEPLGIMJIS-AWEZNQCLSA-N 1 0 405.545 4.020 20 5 HIBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506233609 914855621 /nfs/dbraw/zinc/85/56/21/914855621.db2.gz HWWPVXDDGPLFDG-KRWDZBQOSA-N 1 0 403.866 4.093 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000493030962 904994417 /nfs/dbraw/zinc/99/44/17/904994417.db2.gz HNGVWMCYLWUGRB-HNNXBMFYSA-N 1 0 420.460 4.016 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493084980 905015768 /nfs/dbraw/zinc/01/57/68/905015768.db2.gz ZLYJHJDCOYQZMO-SFHVURJKSA-N 1 0 410.518 4.270 20 5 HIBDRO Cc1ccc([C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493279602 905078235 /nfs/dbraw/zinc/07/82/35/905078235.db2.gz YZJCSBHHXLOVNU-HSZRJFAPSA-N 1 0 424.522 4.228 20 5 HIBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@@H]2C1 ZINC000493560477 905163602 /nfs/dbraw/zinc/16/36/02/905163602.db2.gz XCTFUEFPRNWACT-IFXJQAMLSA-N 1 0 415.877 4.207 20 5 HIBDRO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512386361 921123079 /nfs/dbraw/zinc/12/30/79/921123079.db2.gz FOQBRKWCZDEBGU-RDJZCZTQSA-N 1 0 400.548 4.461 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000493800302 905221781 /nfs/dbraw/zinc/22/17/81/905221781.db2.gz ZXBDETRTRODXHP-GHTZIAJQSA-N 1 0 415.396 4.190 20 5 HIBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cccc1[N+](=O)[O-] ZINC000493819297 905226729 /nfs/dbraw/zinc/22/67/29/905226729.db2.gz MNMQYIXJEMDNPQ-OAHLLOKOSA-N 1 0 419.407 4.344 20 5 HIBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@@H]21 ZINC000493928085 905279556 /nfs/dbraw/zinc/27/95/56/905279556.db2.gz QNDZPCQNWGMQTN-UZLBHIALSA-N 1 0 411.527 4.302 20 5 HIBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494049031 905388053 /nfs/dbraw/zinc/38/80/53/905388053.db2.gz MRHGDRLEUXVYES-UHFFFAOYSA-N 1 0 416.547 4.445 20 5 HIBDRO C[C@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494070121 905409140 /nfs/dbraw/zinc/40/91/40/905409140.db2.gz VBPJHBIAJVOUHC-SUMWQHHRSA-N 1 0 407.392 4.006 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000494110704 905457759 /nfs/dbraw/zinc/45/77/59/905457759.db2.gz UPBYUVVKKDQYDY-JXFKEZNVSA-N 1 0 417.575 4.432 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000494110707 905458080 /nfs/dbraw/zinc/45/80/80/905458080.db2.gz UPBYUVVKKDQYDY-UZLBHIALSA-N 1 0 417.575 4.432 20 5 HIBDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000494375503 905673313 /nfs/dbraw/zinc/67/33/13/905673313.db2.gz QEDHAUXVJYJLDH-XYJFISCASA-N 1 0 406.490 4.145 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000494461005 905743061 /nfs/dbraw/zinc/74/30/61/905743061.db2.gz FLAQILFMCITOIN-UHFFFAOYSA-N 1 0 419.485 4.219 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000494465526 905747713 /nfs/dbraw/zinc/74/77/13/905747713.db2.gz NFTLPUYJHDAZCL-AQNXPRMDSA-N 1 0 415.877 4.085 20 5 HIBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000512457356 921174454 /nfs/dbraw/zinc/17/44/54/921174454.db2.gz RXMGJCIAAAQSSA-OAHLLOKOSA-N 1 0 419.909 4.492 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494497413 905785912 /nfs/dbraw/zinc/78/59/12/905785912.db2.gz ROHFCIPJOLTHTN-HNNXBMFYSA-N 1 0 424.432 4.428 20 5 HIBDRO C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)nc2)C1 ZINC000494728063 905926969 /nfs/dbraw/zinc/92/69/69/905926969.db2.gz CJQFZZRZMPFYDU-UPVQGACJSA-N 1 0 417.513 4.332 20 5 HIBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@@H]2C1 ZINC000495092895 906233651 /nfs/dbraw/zinc/23/36/51/906233651.db2.gz YGAIHXQRSMCHSC-SCLBCKFNSA-N 1 0 420.307 4.143 20 5 HIBDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)ncn1 ZINC000495272762 906351809 /nfs/dbraw/zinc/35/18/09/906351809.db2.gz PFUAVDSRGDQREJ-KRWDZBQOSA-N 1 0 423.542 4.434 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000512699622 921291348 /nfs/dbraw/zinc/29/13/48/921291348.db2.gz SHIBTBSEVFWDPK-FQEVSTJZSA-N 1 0 403.454 4.448 20 5 HIBDRO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497569692 907055122 /nfs/dbraw/zinc/05/51/22/907055122.db2.gz QKIVCNZQAQMMKU-IBGZPJMESA-N 1 0 411.477 4.137 20 5 HIBDRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000512737321 921299322 /nfs/dbraw/zinc/29/93/22/921299322.db2.gz ZYHKKRLPQNEWEA-MRXNPFEDSA-N 1 0 422.407 4.318 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000497911953 907382773 /nfs/dbraw/zinc/38/27/73/907382773.db2.gz HOPKKINSOATFSU-UHFFFAOYSA-N 1 0 408.458 4.116 20 5 HIBDRO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000497957462 907426668 /nfs/dbraw/zinc/42/66/68/907426668.db2.gz JKXGTPDVKXRPBO-XLIONFOSSA-N 1 0 413.543 4.371 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)CC1 ZINC000498040742 907547639 /nfs/dbraw/zinc/54/76/39/907547639.db2.gz ZNUHUTCNWZZWIE-UHFFFAOYSA-N 1 0 401.894 4.410 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cnn3ccccc23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512859778 921361981 /nfs/dbraw/zinc/36/19/81/921361981.db2.gz DZQUNOGTDKCIMX-UHFFFAOYSA-N 1 0 418.453 4.120 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498461642 907926709 /nfs/dbraw/zinc/92/67/09/907926709.db2.gz DULGTHBHSCMGAN-OAHLLOKOSA-N 1 0 402.520 4.103 20 5 HIBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498719510 908144983 /nfs/dbraw/zinc/14/49/83/908144983.db2.gz FJYXDISUJGUIGU-HNNXBMFYSA-N 1 0 416.909 4.027 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000498829517 908237319 /nfs/dbraw/zinc/23/73/19/908237319.db2.gz YKMMPZOFSBLZQW-KRWDZBQOSA-N 1 0 414.487 4.124 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000499684780 908876361 /nfs/dbraw/zinc/87/63/61/908876361.db2.gz OWWCBAGSIRJFTR-KRWDZBQOSA-N 1 0 424.423 4.009 20 5 HIBDRO CC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000500241640 909731324 /nfs/dbraw/zinc/73/13/24/909731324.db2.gz JWFPOTNQMBSAHJ-UHFFFAOYSA-N 1 0 406.486 4.354 20 5 HIBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000513068509 921522248 /nfs/dbraw/zinc/52/22/48/921522248.db2.gz JXPWYFKTWQTMMQ-DYESRHJHSA-N 1 0 415.465 4.309 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(C[S@@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000513071106 921524736 /nfs/dbraw/zinc/52/47/36/921524736.db2.gz VZHLUUJDFCWSEJ-GDLZYMKVSA-N 1 0 414.483 4.032 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000500892220 910163820 /nfs/dbraw/zinc/16/38/20/910163820.db2.gz GUMZUPBENRWHHF-UHFFFAOYSA-N 1 0 404.470 4.481 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513174852 921601230 /nfs/dbraw/zinc/60/12/30/921601230.db2.gz ZZSKBWVMNQVIFA-IBGZPJMESA-N 1 0 410.392 4.114 20 5 HIBDRO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501960727 910947853 /nfs/dbraw/zinc/94/78/53/910947853.db2.gz YQCUTHLLVYVWBI-APWZRJJASA-N 1 0 406.486 4.374 20 5 HIBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502908105 911894783 /nfs/dbraw/zinc/89/47/83/911894783.db2.gz YSRWHYOTJQIPPC-FQEVSTJZSA-N 1 0 408.502 4.429 20 5 HIBDRO Cn1ccnc1[C@H](NCCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000503086488 912056146 /nfs/dbraw/zinc/05/61/46/912056146.db2.gz IOCNSDPYQUGIOD-OAQYLSRUSA-N 1 0 407.449 4.261 20 5 HIBDRO Cn1cc(C[NH+]2CCC(OCc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506278942 914880458 /nfs/dbraw/zinc/88/04/58/914880458.db2.gz CZSJIIXVSQUOCT-UHFFFAOYSA-N 1 0 406.486 4.177 20 5 HIBDRO O=C(c1ccc(F)cc1)N1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506442658 915041921 /nfs/dbraw/zinc/04/19/21/915041921.db2.gz AIABXYDCAWMAIM-UHFFFAOYSA-N 1 0 423.444 4.342 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506470774 915068943 /nfs/dbraw/zinc/06/89/43/915068943.db2.gz NPECMWCJJICGJD-IXDOHACOSA-N 1 0 422.957 4.162 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000506552500 915198253 /nfs/dbraw/zinc/19/82/53/915198253.db2.gz JMYDGDFAEZXKRB-SFHVURJKSA-N 1 0 418.497 4.448 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000506667583 915342120 /nfs/dbraw/zinc/34/21/20/915342120.db2.gz CRDXNHPQUOOECA-LRDDRELGSA-N 1 0 421.881 4.333 20 5 HIBDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507198649 915947080 /nfs/dbraw/zinc/94/70/80/915947080.db2.gz YNWAJSWZPBJZFO-UHFFFAOYSA-N 1 0 409.442 4.181 20 5 HIBDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507481946 916248741 /nfs/dbraw/zinc/24/87/41/916248741.db2.gz DMHHQOQQFQBYRX-CABCVRRESA-N 1 0 403.504 4.011 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CCC(C)(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000507726094 916521138 /nfs/dbraw/zinc/52/11/38/916521138.db2.gz OXGPSWSMYOWRRY-SFHVURJKSA-N 1 0 416.522 4.246 20 5 HIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000507951064 916812838 /nfs/dbraw/zinc/81/28/38/916812838.db2.gz MTTGOCLASZLRFC-CQSZACIVSA-N 1 0 400.385 4.303 20 5 HIBDRO COc1cc(CNc2[nH+]ccn2CC(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000508501218 917285175 /nfs/dbraw/zinc/28/51/75/917285175.db2.gz XWAGUCDPBMNJAS-UHFFFAOYSA-N 1 0 402.373 4.009 20 5 HIBDRO C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000508848203 917600834 /nfs/dbraw/zinc/60/08/34/917600834.db2.gz OVIFLNOUINQRAP-PXAZEXFGSA-N 1 0 408.405 4.009 20 5 HIBDRO O=[N+]([O-])c1cc(F)c(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000508963152 917719705 /nfs/dbraw/zinc/71/97/05/917719705.db2.gz LSSPXOPQDTWLTP-UHFFFAOYSA-N 1 0 401.457 4.361 20 5 HIBDRO COc1ccc2[nH]cc(C3=CCN(Cc4cc([N+](=O)[O-])cc5c4OCOC5)CC3)c2c1 ZINC000509559293 918208306 /nfs/dbraw/zinc/20/83/06/918208306.db2.gz SZVMRCWCNASHJC-UHFFFAOYSA-N 1 0 421.453 4.241 20 5 HIBDRO CCNC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000509622158 918269203 /nfs/dbraw/zinc/26/92/03/918269203.db2.gz WBEKBWGZNOUCRL-UHFFFAOYSA-N 1 0 418.497 4.402 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000509764983 918378455 /nfs/dbraw/zinc/37/84/55/918378455.db2.gz WFKWSEXBXBGZJM-UHFFFAOYSA-N 1 0 424.545 4.427 20 5 HIBDRO Cc1c(Br)cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000510027491 918603056 /nfs/dbraw/zinc/60/30/56/918603056.db2.gz UFAAVAIGYIRZND-UHFFFAOYSA-N 1 0 424.339 4.193 20 5 HIBDRO CCOc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510112905 918674800 /nfs/dbraw/zinc/67/48/00/918674800.db2.gz MQZSIPOOWBVOJJ-MJGOQNOKSA-N 1 0 411.502 4.024 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+](C)C ZINC000510549956 918993637 /nfs/dbraw/zinc/99/36/37/918993637.db2.gz NILMZUBTRABZOQ-BXKMTCNYSA-N 1 0 413.521 4.411 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000510555940 918999685 /nfs/dbraw/zinc/99/96/85/918999685.db2.gz WPIQLRBXFMHGSP-FOIQADDNSA-N 1 0 401.482 4.128 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511233769 919837566 /nfs/dbraw/zinc/83/75/66/919837566.db2.gz MYQPRZAJKYBAMC-PKOBYXMFSA-N 1 0 402.539 4.168 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511248590 919848321 /nfs/dbraw/zinc/84/83/21/919848321.db2.gz JHHJDNYUAKTCFG-HOTGVXAUSA-N 1 0 405.564 4.480 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+]1CCCCC1 ZINC000511290126 919887256 /nfs/dbraw/zinc/88/72/56/919887256.db2.gz XVPSPBQGKSXILC-HXUWFJFHSA-N 1 0 412.490 4.261 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2C1 ZINC000511395045 920005946 /nfs/dbraw/zinc/00/59/46/920005946.db2.gz GBURSCILQKADOS-UHFFFAOYSA-N 1 0 405.458 4.004 20 5 HIBDRO CC[N@@H+](Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C[C@H]1CCCO1 ZINC000511539498 920162325 /nfs/dbraw/zinc/16/23/25/920162325.db2.gz FCMZVTBOPWMVGX-HXUWFJFHSA-N 1 0 400.475 4.183 20 5 HIBDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000511727217 920393075 /nfs/dbraw/zinc/39/30/75/920393075.db2.gz MJLGACDQYOFVKJ-IERDGZPVSA-N 1 0 413.493 4.254 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000511760185 920440481 /nfs/dbraw/zinc/44/04/81/920440481.db2.gz WFWOAVIZTIROFH-IBGZPJMESA-N 1 0 401.894 4.279 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)co2)cc1 ZINC000511781439 920472866 /nfs/dbraw/zinc/47/28/66/920472866.db2.gz NTKJFRUTKVJWSH-FSSWDIPSSA-N 1 0 405.454 4.254 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)co2)cc1 ZINC000511781438 920473379 /nfs/dbraw/zinc/47/33/79/920473379.db2.gz NTKJFRUTKVJWSH-BHIFYINESA-N 1 0 405.454 4.254 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511880495 920612543 /nfs/dbraw/zinc/61/25/43/920612543.db2.gz VRGADFSOMUDEGX-ZVDOUQERSA-N 1 0 409.486 4.200 20 5 HIBDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000512078642 920843465 /nfs/dbraw/zinc/84/34/65/920843465.db2.gz UXIGOQYWFQSLQP-LAUBAEHRSA-N 1 0 410.518 4.256 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCO)[C@H]3CCCc4ccccc43)o2)c1 ZINC000512366581 921108811 /nfs/dbraw/zinc/10/88/11/921108811.db2.gz DAXLLMMHQCKWIG-NRFANRHFSA-N 1 0 407.470 4.164 20 5 HIBDRO CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000513447638 921813396 /nfs/dbraw/zinc/81/33/96/921813396.db2.gz GCOYXMNWPNDAFH-UHFFFAOYSA-N 1 0 415.515 4.103 20 5 HIBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000513643097 921966428 /nfs/dbraw/zinc/96/64/28/921966428.db2.gz MRCOVBYNVNZDTA-CQSZACIVSA-N 1 0 403.866 4.141 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccsc1 ZINC000513730938 922052081 /nfs/dbraw/zinc/05/20/81/922052081.db2.gz PTHKMDXZJFWUQM-OAHLLOKOSA-N 1 0 413.446 4.071 20 5 HIBDRO O=C1CCCN1C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000513788345 922114518 /nfs/dbraw/zinc/11/45/18/922114518.db2.gz PIYBANWGDMLYLI-BVSLBCMMSA-N 1 0 407.514 4.259 20 5 HIBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000514090254 922412002 /nfs/dbraw/zinc/41/20/02/922412002.db2.gz UDQGVYVROXSLRL-CYBMUJFWSA-N 1 0 408.296 4.143 20 5 HIBDRO CCC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCc2sccc2C1 ZINC000514991476 922870324 /nfs/dbraw/zinc/87/03/24/922870324.db2.gz VDJMSRNOICQURD-WOJBJXKFSA-N 1 0 413.543 4.377 20 5 HIBDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000517556422 924263715 /nfs/dbraw/zinc/26/37/15/924263715.db2.gz OAXSVQJNVULQBZ-OPAMFIHVSA-N 1 0 408.502 4.172 20 5 HIBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000517600056 926709042 /nfs/dbraw/zinc/70/90/42/926709042.db2.gz MQVPSODFJBOOIW-LJQANCHMSA-N 1 0 416.909 4.102 20 5 HIBDRO C[NH+](C)CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C(c1ccccc1)c1ccccc1 ZINC000517665539 926771181 /nfs/dbraw/zinc/77/11/81/926771181.db2.gz JMJUODDZNKDMFQ-UHFFFAOYSA-N 1 0 406.486 4.106 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)NCC3([NH+](C)C)CCCC3)cc2[N+](=O)[O-])n1 ZINC000518039931 926978147 /nfs/dbraw/zinc/97/81/47/926978147.db2.gz SJQMNJSXGZLWES-UHFFFAOYSA-N 1 0 420.560 4.115 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2ccccc2O)cc1 ZINC000518279019 927137257 /nfs/dbraw/zinc/13/72/57/927137257.db2.gz RZDQNUNGYPAIDM-UHFFFAOYSA-N 1 0 414.465 4.485 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)C[C@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518279064 927137286 /nfs/dbraw/zinc/13/72/86/927137286.db2.gz UYQLAKGZKOZMHF-OXQOHEQNSA-N 1 0 400.475 4.230 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000518287362 927146704 /nfs/dbraw/zinc/14/67/04/927146704.db2.gz AXXMRVLMWIVENC-UHFFFAOYSA-N 1 0 421.291 4.161 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000518568585 927349957 /nfs/dbraw/zinc/34/99/57/927349957.db2.gz WVFLNWQNASNAQJ-FQEVSTJZSA-N 1 0 412.490 4.026 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(C)noc1C ZINC000518776578 927488953 /nfs/dbraw/zinc/48/89/53/927488953.db2.gz GXAOHNALUSPUBH-UHFFFAOYSA-N 1 0 411.458 4.120 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000518876323 927588023 /nfs/dbraw/zinc/58/80/23/927588023.db2.gz OXFVQLIMICJUCC-KXBFYZLASA-N 1 0 419.909 4.215 20 5 HIBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C2CCCCC2)cc1 ZINC000519803566 928082020 /nfs/dbraw/zinc/08/20/20/928082020.db2.gz SGIBIXFFSJFUOB-YADHBBJMSA-N 1 0 400.523 4.187 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c2cccs2)CC1 ZINC000519843330 928090943 /nfs/dbraw/zinc/09/09/43/928090943.db2.gz QEDFEHXVINVAHL-SFHVURJKSA-N 1 0 423.485 4.066 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)c2cnn(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520207419 928388211 /nfs/dbraw/zinc/38/82/11/928388211.db2.gz WAFPBLLDSFKVDA-HNNXBMFYSA-N 1 0 410.474 4.075 20 5 HIBDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000520388086 928539810 /nfs/dbraw/zinc/53/98/10/928539810.db2.gz ARKCYQYRMKDNBW-QWHCGFSZSA-N 1 0 421.881 4.252 20 5 HIBDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000520400719 928547436 /nfs/dbraw/zinc/54/74/36/928547436.db2.gz SZCVYCZGFGGCTA-UHFFFAOYSA-N 1 0 411.568 4.003 20 5 HIBDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)oc21 ZINC000520970533 928895847 /nfs/dbraw/zinc/89/58/47/928895847.db2.gz OUNYFIIBZHUZJO-KDOFPFPSSA-N 1 0 409.442 4.196 20 5 HIBDRO CC1CCN(c2ccc(C(=O)NCCCCC[NH+]3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000521113038 929003225 /nfs/dbraw/zinc/00/32/25/929003225.db2.gz WOXKEZVCNCXTAV-UHFFFAOYSA-N 1 0 416.566 4.217 20 5 HIBDRO CCC[NH+]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000521203418 929059294 /nfs/dbraw/zinc/05/92/94/929059294.db2.gz LLOALIUHBMVRQK-UHFFFAOYSA-N 1 0 403.866 4.208 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000521819364 929475703 /nfs/dbraw/zinc/47/57/03/929475703.db2.gz AWCAXZHMPHADCF-SFHVURJKSA-N 1 0 407.873 4.323 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000524946888 929908180 /nfs/dbraw/zinc/90/81/80/929908180.db2.gz HKGOOBPWEIXNEN-HOYKHHGWSA-N 1 0 421.497 4.234 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000525248031 930104462 /nfs/dbraw/zinc/10/44/62/930104462.db2.gz XMVNBYIHVLIZIF-FZKQIMNGSA-N 1 0 405.401 4.042 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525320871 930159678 /nfs/dbraw/zinc/15/96/78/930159678.db2.gz MBDZQPLASBHFOF-IBGZPJMESA-N 1 0 424.545 4.442 20 5 HIBDRO COc1cc(C[NH2+]C(C)(C)C(C)(C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530729761 930811040 /nfs/dbraw/zinc/81/10/40/930811040.db2.gz DZCMNMQJZLKZMH-UHFFFAOYSA-N 1 0 402.491 4.069 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccncc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530914318 930857815 /nfs/dbraw/zinc/85/78/15/930857815.db2.gz AETQAUQEZRDGCU-KRWDZBQOSA-N 1 0 407.470 4.298 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000530994150 930879143 /nfs/dbraw/zinc/87/91/43/930879143.db2.gz VPFNTIKZCOZGDK-KUHUBIRLSA-N 1 0 404.898 4.220 20 5 HIBDRO C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562395379 945070077 /nfs/dbraw/zinc/07/00/77/945070077.db2.gz YVNCEBBDPGZQAD-FOIQADDNSA-N 1 0 401.894 4.305 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531677202 931147949 /nfs/dbraw/zinc/14/79/49/931147949.db2.gz KGHCRVGQDIFSAX-IIBYNOLFSA-N 1 0 419.547 4.427 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCO[C@@H]2CCOC2)ccc1Oc1ccccc1Cl ZINC000531789798 931197591 /nfs/dbraw/zinc/19/75/91/931197591.db2.gz LAEKQURENXYPOL-MRXNPFEDSA-N 1 0 406.866 4.326 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532119785 931320991 /nfs/dbraw/zinc/32/09/91/931320991.db2.gz GXOZBUKKWHGZAX-PWRODBHTSA-N 1 0 412.486 4.230 20 5 HIBDRO CCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCc2sccc2C1 ZINC000532221819 931360546 /nfs/dbraw/zinc/36/05/46/931360546.db2.gz KLNCCOVIIFUGGP-KXBFYZLASA-N 1 0 401.532 4.369 20 5 HIBDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000532321664 931396527 /nfs/dbraw/zinc/39/65/27/931396527.db2.gz SQYMRDDZNUNSOA-CQSZACIVSA-N 1 0 414.815 4.339 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000532373774 931413862 /nfs/dbraw/zinc/41/38/62/931413862.db2.gz FAKDZTSDMWGZJC-DNVJHFABSA-N 1 0 418.497 4.495 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000532650975 931568154 /nfs/dbraw/zinc/56/81/54/931568154.db2.gz OKCDLMZCNNWGIY-HXUWFJFHSA-N 1 0 416.909 4.225 20 5 HIBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532701735 931595123 /nfs/dbraw/zinc/59/51/23/931595123.db2.gz RORBUCRJRGNGMG-IBGZPJMESA-N 1 0 418.291 4.427 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000532810013 931635139 /nfs/dbraw/zinc/63/51/39/931635139.db2.gz XRVUZXQUXGSQHN-MRXNPFEDSA-N 1 0 420.531 4.342 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000533011819 931734819 /nfs/dbraw/zinc/73/48/19/931734819.db2.gz VXBVHVRQAITHEZ-FQEVSTJZSA-N 1 0 416.909 4.225 20 5 HIBDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000533246261 931818071 /nfs/dbraw/zinc/81/80/71/931818071.db2.gz QOSDQLRBSHQBIY-UHFFFAOYSA-N 1 0 418.497 4.153 20 5 HIBDRO C[C@@H]1SCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000533289317 931829155 /nfs/dbraw/zinc/82/91/55/931829155.db2.gz DOSPYXKUASYOFN-MGPUTAFESA-N 1 0 413.499 4.071 20 5 HIBDRO C[C@H]1SCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000533289316 931829289 /nfs/dbraw/zinc/82/92/89/931829289.db2.gz DOSPYXKUASYOFN-FOIQADDNSA-N 1 0 413.499 4.071 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000533374411 931852049 /nfs/dbraw/zinc/85/20/49/931852049.db2.gz XVKWFKVQRCMJEW-UHFFFAOYSA-N 1 0 401.438 4.130 20 5 HIBDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000533382574 931853890 /nfs/dbraw/zinc/85/38/90/931853890.db2.gz WEXOGTWAYPGVOA-UHFFFAOYSA-N 1 0 421.856 4.247 20 5 HIBDRO Cc1c(NC(=O)CC[NH+]2CCC(OC3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000533417698 931862628 /nfs/dbraw/zinc/86/26/28/931862628.db2.gz KDUUANPDWGBDSF-UHFFFAOYSA-N 1 0 403.523 4.292 20 5 HIBDRO Cc1cncc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 ZINC000534059805 932239466 /nfs/dbraw/zinc/23/94/66/932239466.db2.gz WRJFSIVQVHYOSK-HXUWFJFHSA-N 1 0 410.861 4.421 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534230739 932351733 /nfs/dbraw/zinc/35/17/33/932351733.db2.gz AKFUCUTYTSVCDF-UHFFFAOYSA-N 1 0 407.514 4.042 20 5 HIBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C2)CC1 ZINC000534412459 932433103 /nfs/dbraw/zinc/43/31/03/932433103.db2.gz VWKCYXGKGDBOOJ-SFHVURJKSA-N 1 0 409.486 4.191 20 5 HIBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535275454 933045533 /nfs/dbraw/zinc/04/55/33/933045533.db2.gz LVPPGDYTHBSVBV-HXUWFJFHSA-N 1 0 420.897 4.118 20 5 HIBDRO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000535367930 933096210 /nfs/dbraw/zinc/09/62/10/933096210.db2.gz GEFXRQPUGMQNHB-LAUBAEHRSA-N 1 0 420.513 4.303 20 5 HIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)nc2c1 ZINC000535665714 933310184 /nfs/dbraw/zinc/31/01/84/933310184.db2.gz LPCHLTMHNRIESJ-MRXNPFEDSA-N 1 0 418.457 4.209 20 5 HIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)C3)nc2c1 ZINC000535666824 933312090 /nfs/dbraw/zinc/31/20/90/933312090.db2.gz ZHVLORMUCFXSPA-INIZCTEOSA-N 1 0 418.457 4.209 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535682580 933336779 /nfs/dbraw/zinc/33/67/79/933336779.db2.gz VTQKRQKLIKRKCQ-IFXJQAMLSA-N 1 0 405.857 4.119 20 5 HIBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000535803407 933399908 /nfs/dbraw/zinc/39/99/08/933399908.db2.gz NCJHAKQGESCNAK-KRWDZBQOSA-N 1 0 417.893 4.341 20 5 HIBDRO COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000537634414 938341831 /nfs/dbraw/zinc/34/18/31/938341831.db2.gz JLXYNDPSDLDJIO-LJQANCHMSA-N 1 0 404.470 4.352 20 5 HIBDRO COc1cccc([C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[NH+]2CCCC2)c1 ZINC000537650514 938347145 /nfs/dbraw/zinc/34/71/45/938347145.db2.gz GRKGVWSRZJVLRT-FQEVSTJZSA-N 1 0 411.502 4.096 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563290310 945169739 /nfs/dbraw/zinc/16/97/39/945169739.db2.gz SMPVMSNBGMDUQV-UHFFFAOYSA-N 1 0 409.408 4.384 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000537968265 938438698 /nfs/dbraw/zinc/43/86/98/938438698.db2.gz YKZIZBFDCXFSHD-CJNGLKHVSA-N 1 0 403.866 4.103 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H]2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538124213 938510959 /nfs/dbraw/zinc/51/09/59/938510959.db2.gz CVSZXLLXPJFNTN-UYAOXDASSA-N 1 0 400.475 4.087 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538124640 938511031 /nfs/dbraw/zinc/51/10/31/938511031.db2.gz HIHQZERUBMGDTP-DLBZAZTESA-N 1 0 420.469 4.247 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538124209 938511239 /nfs/dbraw/zinc/51/12/39/938511239.db2.gz CVSZXLLXPJFNTN-AZUAARDMSA-N 1 0 400.475 4.087 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] ZINC000538278300 938581995 /nfs/dbraw/zinc/58/19/95/938581995.db2.gz RNNRGFRSPIAVFY-ZDUSSCGKSA-N 1 0 414.462 4.455 20 5 HIBDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538721503 938690813 /nfs/dbraw/zinc/69/08/13/938690813.db2.gz NZPNYMHWXFRANW-KRWDZBQOSA-N 1 0 404.438 4.011 20 5 HIBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000538728295 938693859 /nfs/dbraw/zinc/69/38/59/938693859.db2.gz KTKOGNVYVWFKIL-CHWSQXEVSA-N 1 0 409.280 4.353 20 5 HIBDRO CCOC[C@@H]1CC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538762408 938704134 /nfs/dbraw/zinc/70/41/34/938704134.db2.gz OIRSJEMJKHQJIW-GOSISDBHSA-N 1 0 400.475 4.041 20 5 HIBDRO C[C@H](c1cccc(F)c1)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000538782595 938709181 /nfs/dbraw/zinc/70/91/81/938709181.db2.gz UTQXFFKNASELKC-QGZVFWFLSA-N 1 0 424.476 4.310 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000538788101 938711933 /nfs/dbraw/zinc/71/19/33/938711933.db2.gz KFOSZFTUPWTTNM-KGLIPLIRSA-N 1 0 401.438 4.079 20 5 HIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@@H]1CCC[C@H]1O ZINC000538811694 938718968 /nfs/dbraw/zinc/71/89/68/938718968.db2.gz BNMLMBHFUXYJOL-YVEFUNNKSA-N 1 0 409.280 4.210 20 5 HIBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000538874631 938729229 /nfs/dbraw/zinc/72/92/29/938729229.db2.gz TZMOMUDPMYSNAM-UHFFFAOYSA-N 1 0 402.882 4.022 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000539042997 938779377 /nfs/dbraw/zinc/77/93/77/938779377.db2.gz CZRJBYFLADLFOY-FPSMJMQUSA-N 1 0 405.445 4.368 20 5 HIBDRO CC[N@H+](CCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)CC(C)C ZINC000539099604 938803026 /nfs/dbraw/zinc/80/30/26/938803026.db2.gz JVDUGKKUTVCSCC-UHFFFAOYSA-N 1 0 415.538 4.225 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000539223842 938821182 /nfs/dbraw/zinc/82/11/82/938821182.db2.gz NSJSJLJSXMASEQ-KRWDZBQOSA-N 1 0 420.469 4.248 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539277929 938832095 /nfs/dbraw/zinc/83/20/95/938832095.db2.gz XAMMZMSATURFJZ-WBMJQRKESA-N 1 0 419.865 4.087 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000539326967 938842307 /nfs/dbraw/zinc/84/23/07/938842307.db2.gz RLMOHDQOOVHNKV-NRFANRHFSA-N 1 0 401.438 4.202 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000539345904 938845927 /nfs/dbraw/zinc/84/59/27/938845927.db2.gz VXMSMCHUWMNSTD-GFCCVEGCSA-N 1 0 411.380 4.302 20 5 HIBDRO CCN1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)sc2C1 ZINC000539349855 938846637 /nfs/dbraw/zinc/84/66/37/938846637.db2.gz VUEPOMJHAWHSFS-UHFFFAOYSA-N 1 0 406.533 4.182 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000539381984 938852079 /nfs/dbraw/zinc/85/20/79/938852079.db2.gz YAFRSZSMHHTGEG-HNNXBMFYSA-N 1 0 409.408 4.145 20 5 HIBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539527467 938873455 /nfs/dbraw/zinc/87/34/55/938873455.db2.gz MHTRJLDDQCRTER-GAJHUEQPSA-N 1 0 417.513 4.020 20 5 HIBDRO CCOc1cc(Cl)ccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539527969 938873647 /nfs/dbraw/zinc/87/36/47/938873647.db2.gz FRJPCEHJEXHWJW-UHFFFAOYSA-N 1 0 400.866 4.337 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000539672905 938898355 /nfs/dbraw/zinc/89/83/55/938898355.db2.gz IODLRBZVMZLJID-KRWDZBQOSA-N 1 0 405.564 4.435 20 5 HIBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000540035572 939045332 /nfs/dbraw/zinc/04/53/32/939045332.db2.gz JTWKJHHUSDSDMW-UHFFFAOYSA-N 1 0 408.458 4.007 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540328018 939196577 /nfs/dbraw/zinc/19/65/77/939196577.db2.gz KUHKKAGLQWUKBI-KRWDZBQOSA-N 1 0 420.469 4.167 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000540410613 939239230 /nfs/dbraw/zinc/23/92/30/939239230.db2.gz UGBGLWXRGDKKHY-OAQYLSRUSA-N 1 0 401.438 4.202 20 5 HIBDRO CN(C)C(=O)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000540509277 939281736 /nfs/dbraw/zinc/28/17/36/939281736.db2.gz QAWWZMHSLGNLKC-UHFFFAOYSA-N 1 0 413.861 4.500 20 5 HIBDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000540513108 939283767 /nfs/dbraw/zinc/28/37/67/939283767.db2.gz FKMZVGNONFIKIF-HXUWFJFHSA-N 1 0 413.909 4.041 20 5 HIBDRO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000540592004 939313751 /nfs/dbraw/zinc/31/37/51/939313751.db2.gz HNYXBKJPFWTTEB-HXUWFJFHSA-N 1 0 408.483 4.398 20 5 HIBDRO Cn1cc(N2CCC[C@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)cn1 ZINC000540609987 939318565 /nfs/dbraw/zinc/31/85/65/939318565.db2.gz FWIHZZPSAHJTKK-AWEZNQCLSA-N 1 0 415.881 4.000 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000540624836 939322628 /nfs/dbraw/zinc/32/26/28/939322628.db2.gz QPGGZJPEFGUSOK-UHFFFAOYSA-N 1 0 404.308 4.112 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000540714008 939345836 /nfs/dbraw/zinc/34/58/36/939345836.db2.gz QIOOPMWRSPZBAC-RDTXWAMCSA-N 1 0 421.419 4.455 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)C1CC1 ZINC000540755317 939360705 /nfs/dbraw/zinc/36/07/05/939360705.db2.gz PPYMSTBXKKGGNT-QZTJIDSGSA-N 1 0 417.456 4.386 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)nc1-c1ccccc1 ZINC000541005348 939429492 /nfs/dbraw/zinc/42/94/92/939429492.db2.gz QIJRYSMMKYUEKF-NRFANRHFSA-N 1 0 418.497 4.226 20 5 HIBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563693014 945252354 /nfs/dbraw/zinc/25/23/54/945252354.db2.gz PQRLSKDREWESAW-OAHLLOKOSA-N 1 0 407.392 4.008 20 5 HIBDRO COC(=O)c1ccc(-c2nc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)co2)cc1 ZINC000541067925 939448228 /nfs/dbraw/zinc/44/82/28/939448228.db2.gz CFFVUCBKDIVFDY-UHFFFAOYSA-N 1 0 409.442 4.447 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000541263051 939488268 /nfs/dbraw/zinc/48/82/68/939488268.db2.gz VADFFENWOFMFBJ-IEBWSBKVSA-N 1 0 413.543 4.198 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)ccc1Oc1ccccc1Cl ZINC000541383108 939502138 /nfs/dbraw/zinc/50/21/38/939502138.db2.gz PDJVIOQAVUHMDB-OAHLLOKOSA-N 1 0 424.906 4.097 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000541424964 939512981 /nfs/dbraw/zinc/51/29/81/939512981.db2.gz HPANWBDQQOJTNM-FMKPAKJESA-N 1 0 411.955 4.204 20 5 HIBDRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C)s1 ZINC000541580691 939559702 /nfs/dbraw/zinc/55/97/02/939559702.db2.gz XXJSLEMXCCGSFV-SNVBAGLBSA-N 1 0 412.309 4.325 20 5 HIBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000541625711 939573674 /nfs/dbraw/zinc/57/36/74/939573674.db2.gz JCUWTADKZKCNKY-GHTZIAJQSA-N 1 0 406.482 4.145 20 5 HIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nc(C(F)(F)F)cs1 ZINC000541630902 939576391 /nfs/dbraw/zinc/57/63/91/939576391.db2.gz IIWIVWSWIDTPBD-GFCCVEGCSA-N 1 0 416.425 4.448 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542033506 939693737 /nfs/dbraw/zinc/69/37/37/939693737.db2.gz XLSWZBWMYWBULG-UHFFFAOYSA-N 1 0 406.508 4.041 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000542191982 939750795 /nfs/dbraw/zinc/75/07/95/939750795.db2.gz BEPPNYSDNVTGQU-UHFFFAOYSA-N 1 0 417.556 4.183 20 5 HIBDRO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000542258604 939774946 /nfs/dbraw/zinc/77/49/46/939774946.db2.gz ZHVFSIBWODKQJU-KSSFIOAISA-N 1 0 413.499 4.117 20 5 HIBDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542314958 939797138 /nfs/dbraw/zinc/79/71/38/939797138.db2.gz ZJJTUKMWRAXYLG-XZOQPEGZSA-N 1 0 412.486 4.230 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000542525488 939837138 /nfs/dbraw/zinc/83/71/38/939837138.db2.gz JTNGBXSNFZMZOO-IBGZPJMESA-N 1 0 416.524 4.004 20 5 HIBDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542560992 939844015 /nfs/dbraw/zinc/84/40/15/939844015.db2.gz ZODSKZFKIOMIRQ-QGZVFWFLSA-N 1 0 413.493 4.386 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000542631491 939850446 /nfs/dbraw/zinc/85/04/46/939850446.db2.gz DIFONTBICBUCHS-WIYYLYMNSA-N 1 0 415.465 4.223 20 5 HIBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542649796 939851668 /nfs/dbraw/zinc/85/16/68/939851668.db2.gz PFLBJTGJHMHSSF-KRWDZBQOSA-N 1 0 405.564 4.339 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000542915964 939877117 /nfs/dbraw/zinc/87/71/17/939877117.db2.gz UCFOJNIYQUAYSY-CVEARBPZSA-N 1 0 402.495 4.131 20 5 HIBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000543123486 939957329 /nfs/dbraw/zinc/95/73/29/939957329.db2.gz OEXOZTMBIPOANU-UHFFFAOYSA-N 1 0 419.934 4.121 20 5 HIBDRO Cc1c(Br)c(NC2CC[NH+](Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000543436002 940063780 /nfs/dbraw/zinc/06/37/80/940063780.db2.gz AMHPBQMNRMUQAL-UHFFFAOYSA-N 1 0 423.286 4.276 20 5 HIBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000543494743 940084089 /nfs/dbraw/zinc/08/40/89/940084089.db2.gz CZJFVKHVHGORRN-LLVKDONJSA-N 1 0 422.308 4.028 20 5 HIBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543558713 940108721 /nfs/dbraw/zinc/10/87/21/940108721.db2.gz HWZFCOLGJFNNAD-RBUKOAKNSA-N 1 0 412.421 4.136 20 5 HIBDRO Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OCC[NH+]1CCCC1 ZINC000543588896 940122390 /nfs/dbraw/zinc/12/23/90/940122390.db2.gz YKXREKSPVUYWIC-INIZCTEOSA-N 1 0 415.465 4.259 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543621212 940136742 /nfs/dbraw/zinc/13/67/42/940136742.db2.gz JALUMZHCFSMODF-SNVBAGLBSA-N 1 0 419.425 4.203 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000543777455 940183498 /nfs/dbraw/zinc/18/34/98/940183498.db2.gz WHAZSGJUWVFDLA-RPBOFIJWSA-N 1 0 417.509 4.041 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000543846413 940206614 /nfs/dbraw/zinc/20/66/14/940206614.db2.gz HWZBJAVVGDSAHB-LJQANCHMSA-N 1 0 409.845 4.321 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000563834239 945308899 /nfs/dbraw/zinc/30/88/99/945308899.db2.gz FWQGRAWOFFHREH-SIKLNZKXSA-N 1 0 412.873 4.367 20 5 HIBDRO Cc1ncc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000544179020 940345240 /nfs/dbraw/zinc/34/52/40/940345240.db2.gz VHWKPMRGCSDYJK-UHFFFAOYSA-N 1 0 400.822 4.134 20 5 HIBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000544196708 940350813 /nfs/dbraw/zinc/35/08/13/940350813.db2.gz LEADVVODSWIFLA-UHFFFAOYSA-N 1 0 419.934 4.253 20 5 HIBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)c21 ZINC000544394211 940410804 /nfs/dbraw/zinc/41/08/04/940410804.db2.gz GSLGKKHUHXNJQU-UHFFFAOYSA-N 1 0 403.486 4.031 20 5 HIBDRO Cc1c(Br)c(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000544396290 940411491 /nfs/dbraw/zinc/41/14/91/940411491.db2.gz YEKURWYSNHIXGA-ZFWWWQNUSA-N 1 0 411.344 4.152 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544398970 940411977 /nfs/dbraw/zinc/41/19/77/940411977.db2.gz JHDNBQRHHUADPO-HKUYNNGSSA-N 1 0 413.493 4.208 20 5 HIBDRO CC1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC[NH+](Cc2ccccc2)CC1 ZINC000544403779 940413363 /nfs/dbraw/zinc/41/33/63/940413363.db2.gz PXHGHDXWCUVYLP-UHFFFAOYSA-N 1 0 419.485 4.226 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544490437 940454854 /nfs/dbraw/zinc/45/48/54/940454854.db2.gz JRIOAGZRFXCKQD-KSSFIOAISA-N 1 0 413.499 4.117 20 5 HIBDRO C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000544511012 940462085 /nfs/dbraw/zinc/46/20/85/940462085.db2.gz NYQKYXKNEUVGTR-JLTOFOAXSA-N 1 0 419.884 4.444 20 5 HIBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000544537978 940474732 /nfs/dbraw/zinc/47/47/32/940474732.db2.gz XXNVSSFZMOSFLC-UHFFFAOYSA-N 1 0 407.474 4.012 20 5 HIBDRO COc1ccc(C[N@H+](C)CCc2ccncc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000544597372 940487198 /nfs/dbraw/zinc/48/71/98/940487198.db2.gz CJYVLWQBYQEQKR-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO CC[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000544760546 940511507 /nfs/dbraw/zinc/51/15/07/940511507.db2.gz AHGXZAVHFDYQHC-YLJYHZDGSA-N 1 0 421.501 4.302 20 5 HIBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccccc4C[NH+]4CCCC4)no3)n2)cc1 ZINC000545530231 940573377 /nfs/dbraw/zinc/57/33/77/940573377.db2.gz UAEOINCGWZEOLB-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO CC(C)(C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000546536903 940846688 /nfs/dbraw/zinc/84/66/88/940846688.db2.gz WULRVRZTEJVNEJ-UHFFFAOYSA-N 1 0 417.506 4.199 20 5 HIBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546887644 940901581 /nfs/dbraw/zinc/90/15/81/940901581.db2.gz BYASTQODSPQUQI-QGZVFWFLSA-N 1 0 402.882 4.377 20 5 HIBDRO C[NH+](C)CCOc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 ZINC000546999324 940949291 /nfs/dbraw/zinc/94/92/91/940949291.db2.gz OINAXAHGBKZUDR-UHFFFAOYSA-N 1 0 422.363 4.271 20 5 HIBDRO COc1cc(OCc2nc(-c3ccccc3C[NH+]3CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000547118448 941002554 /nfs/dbraw/zinc/00/25/54/941002554.db2.gz QAKOMALCTOOGOF-UHFFFAOYSA-N 1 0 424.457 4.218 20 5 HIBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000548443428 941104482 /nfs/dbraw/zinc/10/44/82/941104482.db2.gz PZOKPARORGWBRW-UHFFFAOYSA-N 1 0 402.417 4.198 20 5 HIBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000548988975 941139510 /nfs/dbraw/zinc/13/95/10/941139510.db2.gz IYTROSHNGHVXGU-SFHVURJKSA-N 1 0 421.856 4.326 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549510515 941197584 /nfs/dbraw/zinc/19/75/84/941197584.db2.gz XWHAGAJXPNQLHF-RDTXWAMCSA-N 1 0 404.898 4.220 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000549932427 941242105 /nfs/dbraw/zinc/24/21/05/941242105.db2.gz OZXRYPPXIBPXEN-UHFFFAOYSA-N 1 0 413.440 4.342 20 5 HIBDRO CC(C)c1ccc(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000550064392 941277686 /nfs/dbraw/zinc/27/76/86/941277686.db2.gz JJKWANGAIVYIEZ-UHFFFAOYSA-N 1 0 410.518 4.156 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000551211965 941428390 /nfs/dbraw/zinc/42/83/90/941428390.db2.gz OLMJRIACWRFATE-WOSRLPQWSA-N 1 0 405.296 4.209 20 5 HIBDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000551271245 941440925 /nfs/dbraw/zinc/44/09/25/941440925.db2.gz MSWAMLIMMKUYPB-JXFKEZNVSA-N 1 0 422.909 4.288 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000551310680 941448479 /nfs/dbraw/zinc/44/84/79/941448479.db2.gz LJHMCRAVRPUAQP-HNNXBMFYSA-N 1 0 410.923 4.023 20 5 HIBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000551563377 941502009 /nfs/dbraw/zinc/50/20/09/941502009.db2.gz GGYFBTVWLQICHN-YRISNDGFSA-N 1 0 416.543 4.450 20 5 HIBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000551788945 941545594 /nfs/dbraw/zinc/54/55/94/941545594.db2.gz JZVIZRACWNBGKJ-CVEARBPZSA-N 1 0 407.392 4.478 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552043564 941572658 /nfs/dbraw/zinc/57/26/58/941572658.db2.gz SFGYPIVEKQJVHO-FDDCHVKYSA-N 1 0 419.529 4.233 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cc(F)c(F)cc2Br)n1 ZINC000552096027 941584010 /nfs/dbraw/zinc/58/40/10/941584010.db2.gz NUYOSOWJFFMAJQ-CABCVRRESA-N 1 0 415.238 4.106 20 5 HIBDRO Cc1cc(OC[C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Cl ZINC000552214965 941605451 /nfs/dbraw/zinc/60/54/51/941605451.db2.gz ZDKZXZSBRAHCCU-GOSISDBHSA-N 1 0 406.910 4.252 20 5 HIBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000552292312 941623972 /nfs/dbraw/zinc/62/39/72/941623972.db2.gz MSHMGQTYLSLOJJ-SAZUREKKSA-N 1 0 410.392 4.422 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553175297 941844723 /nfs/dbraw/zinc/84/47/23/941844723.db2.gz ZHMQQWXZRGJONM-DHLKQENFSA-N 1 0 421.541 4.288 20 5 HIBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000553667965 941940439 /nfs/dbraw/zinc/94/04/39/941940439.db2.gz IWCFWPPIKAOCJJ-LJQANCHMSA-N 1 0 405.882 4.068 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC(F)F ZINC000553676462 941942481 /nfs/dbraw/zinc/94/24/81/941942481.db2.gz IZEGSVXQSNMMRS-NRFANRHFSA-N 1 0 403.429 4.299 20 5 HIBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553755893 941960509 /nfs/dbraw/zinc/96/05/09/941960509.db2.gz MYLSUVYKAYPCEY-UHFFFAOYSA-N 1 0 416.547 4.445 20 5 HIBDRO CN(C(=O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000554310787 942098225 /nfs/dbraw/zinc/09/82/25/942098225.db2.gz IWYALWSFKSUPDJ-UHFFFAOYSA-N 1 0 410.449 4.058 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@](CO)(Cc4ccc(F)cc4)C3)o2)c1 ZINC000554890471 942310305 /nfs/dbraw/zinc/31/03/05/942310305.db2.gz YTEDASISLPWSKL-HSZRJFAPSA-N 1 0 410.445 4.421 20 5 HIBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000554894327 942311072 /nfs/dbraw/zinc/31/10/72/942311072.db2.gz GBNFBOIWSZIOIB-HXUWFJFHSA-N 1 0 412.490 4.026 20 5 HIBDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000555127456 942393819 /nfs/dbraw/zinc/39/38/19/942393819.db2.gz CZFRFIBPMIJHQM-TZIWHRDSSA-N 1 0 401.894 4.324 20 5 HIBDRO CSc1ccc([C@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000555263027 942452278 /nfs/dbraw/zinc/45/22/78/942452278.db2.gz BWHIOCKKDPZXPV-FQEVSTJZSA-N 1 0 416.547 4.170 20 5 HIBDRO C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000555313011 942473372 /nfs/dbraw/zinc/47/33/72/942473372.db2.gz YVKXODOMBJYTCH-NTKDMRAZSA-N 1 0 407.514 4.213 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000555841799 942749609 /nfs/dbraw/zinc/74/96/09/942749609.db2.gz QKHFWWGZJDMPID-CYBMUJFWSA-N 1 0 409.408 4.473 20 5 HIBDRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556221616 942820817 /nfs/dbraw/zinc/82/08/17/942820817.db2.gz DUIDOSNQIGOWCU-YDFBLROQSA-N 1 0 411.477 4.453 20 5 HIBDRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556221605 942820852 /nfs/dbraw/zinc/82/08/52/942820852.db2.gz DUIDOSNQIGOWCU-KBJGYGKASA-N 1 0 411.477 4.453 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccc(Br)cc2C1 ZINC000556544144 942895326 /nfs/dbraw/zinc/89/53/26/942895326.db2.gz MPYLXMVYYYKHRG-UHFFFAOYSA-N 1 0 418.291 4.053 20 5 HIBDRO Cc1ccc([C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000556868848 942944116 /nfs/dbraw/zinc/94/41/16/942944116.db2.gz XAVYAVUIIRLIER-PKTZIBPZSA-N 1 0 419.529 4.153 20 5 HIBDRO Cn1ccnc1[C@H](NCC[NH+]1CCC2(CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000556887730 942951810 /nfs/dbraw/zinc/95/18/10/942951810.db2.gz DTHPOAKONYWGQF-OAQYLSRUSA-N 1 0 411.550 4.054 20 5 HIBDRO COCC1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOCC1 ZINC000556898281 942957841 /nfs/dbraw/zinc/95/78/41/942957841.db2.gz XSVVOVWAMWLAEK-UHFFFAOYSA-N 1 0 406.866 4.326 20 5 HIBDRO CC[N@H+](CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)CC(C)C ZINC000557313201 943070341 /nfs/dbraw/zinc/07/03/41/943070341.db2.gz NDXPPYOGZGCTDP-UHFFFAOYSA-N 1 0 424.973 4.267 20 5 HIBDRO CC(C)(NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000557967696 943342423 /nfs/dbraw/zinc/34/24/23/943342423.db2.gz JALNJYCUBXOQEK-QGZVFWFLSA-N 1 0 410.518 4.453 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000558034318 943362896 /nfs/dbraw/zinc/36/28/96/943362896.db2.gz WBJQJTUEBXUETQ-QFIPXVFZSA-N 1 0 411.527 4.222 20 5 HIBDRO O=C(CC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000558183101 943416136 /nfs/dbraw/zinc/41/61/36/943416136.db2.gz YZPLQRPOBPBINH-UHFFFAOYSA-N 1 0 410.449 4.423 20 5 HIBDRO CCOc1cc(C[N@@H+]2[C@H](C)CC[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000558423706 943555934 /nfs/dbraw/zinc/55/59/34/943555934.db2.gz OKQPFRVXZFODIZ-VQIMIIECSA-N 1 0 416.522 4.340 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559491838 943979794 /nfs/dbraw/zinc/97/97/94/943979794.db2.gz UXWFRHQAHVEEAN-UHFFFAOYSA-N 1 0 409.408 4.338 20 5 HIBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(C[NH+](C)C)c1 ZINC000559580711 944010696 /nfs/dbraw/zinc/01/06/96/944010696.db2.gz HSIPGQDURWWCTQ-UHFFFAOYSA-N 1 0 406.280 4.288 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)ccc1[N+](=O)[O-] ZINC000560178846 944188481 /nfs/dbraw/zinc/18/84/81/944188481.db2.gz YXLSNNOIGNMASN-GOSISDBHSA-N 1 0 406.280 4.392 20 5 HIBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000560531011 944244593 /nfs/dbraw/zinc/24/45/93/944244593.db2.gz WEENZNPPYPMDNB-FCEUIQTBSA-N 1 0 406.486 4.175 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@H](O)C23CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560570023 944257745 /nfs/dbraw/zinc/25/77/45/944257745.db2.gz ZXCQUTIJRRLVEA-QFIPXVFZSA-N 1 0 412.486 4.062 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000561279293 944537463 /nfs/dbraw/zinc/53/74/63/944537463.db2.gz OBPNGJXVTPIJTF-LJQANCHMSA-N 1 0 422.934 4.023 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C1CCOCC1 ZINC000561371268 944564351 /nfs/dbraw/zinc/56/43/51/944564351.db2.gz IENNXEXXFWUIBR-DENIHFKCSA-N 1 0 411.502 4.378 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]([NH+]4CCCC4)[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000561433026 944595330 /nfs/dbraw/zinc/59/53/30/944595330.db2.gz QSXJIDPMMAFOCD-XLIONFOSSA-N 1 0 408.502 4.219 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000561694674 944750351 /nfs/dbraw/zinc/75/03/51/944750351.db2.gz UICRUHZGLYTLAX-HNNXBMFYSA-N 1 0 421.950 4.141 20 5 HIBDRO C[C@@H](C[NH+](C)C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000561768818 944788196 /nfs/dbraw/zinc/78/81/96/944788196.db2.gz WALLMIRAASZREW-YSKWHIJTSA-N 1 0 424.526 4.202 20 5 HIBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C[NH+]2CCCCC2)cc1 ZINC000562152730 944980885 /nfs/dbraw/zinc/98/08/85/944980885.db2.gz UKHNQTCYTNQLHR-UHFFFAOYSA-N 1 0 401.894 4.207 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000565736546 945874639 /nfs/dbraw/zinc/87/46/39/945874639.db2.gz GLMZAFIKDTZWOV-DYESRHJHSA-N 1 0 415.559 4.305 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000565736549 945874776 /nfs/dbraw/zinc/87/47/76/945874776.db2.gz GLMZAFIKDTZWOV-LAUBAEHRSA-N 1 0 415.559 4.305 20 5 HIBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000565824388 945890750 /nfs/dbraw/zinc/89/07/50/945890750.db2.gz KSMYIXCRMXFSTQ-OAHLLOKOSA-N 1 0 414.483 4.499 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H](O)C(F)(F)F)o2)c(Br)c1 ZINC000565859302 945897094 /nfs/dbraw/zinc/89/70/94/945897094.db2.gz BNBSAPLEHMMCFP-AWEZNQCLSA-N 1 0 423.185 4.020 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)c2cccnc2)ccc1Oc1ccccc1Cl ZINC000568555176 946592760 /nfs/dbraw/zinc/59/27/60/946592760.db2.gz HBWQWRPSCDBCPS-QGZVFWFLSA-N 1 0 413.861 4.301 20 5 HIBDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000570205581 947141076 /nfs/dbraw/zinc/14/10/76/947141076.db2.gz JRNBDLYAJGXMTG-QHCPKHFHSA-N 1 0 419.481 4.424 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000571583915 947711986 /nfs/dbraw/zinc/71/19/86/947711986.db2.gz FDJAVBHGQQWICZ-GHTZIAJQSA-N 1 0 405.445 4.195 20 5 HIBDRO C[C@H](C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000571901581 947809082 /nfs/dbraw/zinc/80/90/82/947809082.db2.gz IJIBRAGZSPXURS-CYBMUJFWSA-N 1 0 406.280 4.031 20 5 HIBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000572513624 947923334 /nfs/dbraw/zinc/92/33/34/947923334.db2.gz WWISCIZZSYRJRD-BBRMVZONSA-N 1 0 414.487 4.171 20 5 HIBDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000574144169 948375430 /nfs/dbraw/zinc/37/54/30/948375430.db2.gz XEHGAADUNHSZOI-AWEZNQCLSA-N 1 0 408.545 4.331 20 5 HIBDRO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574438215 948442193 /nfs/dbraw/zinc/44/21/93/948442193.db2.gz GPMCJXCPMFGEBE-HOCLYGCPSA-N 1 0 421.419 4.254 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000574460567 948448935 /nfs/dbraw/zinc/44/89/35/948448935.db2.gz XXGSWMJWPYPBHD-HSZRJFAPSA-N 1 0 405.454 4.262 20 5 HIBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164626062 719066538 /nfs/dbraw/zinc/06/65/38/719066538.db2.gz NZWGMGHPNLCRGS-DOTOQJQBSA-N 1 0 422.863 4.289 20 5 HIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627855 719067809 /nfs/dbraw/zinc/06/78/09/719067809.db2.gz RJBWPXXTHXSERM-IIBYNOLFSA-N 1 0 423.904 4.292 20 5 HIBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164622865 719070871 /nfs/dbraw/zinc/07/08/71/719070871.db2.gz JDTQNUOPAJUXBS-CRAIPNDOSA-N 1 0 422.863 4.289 20 5 HIBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164635844 719255713 /nfs/dbraw/zinc/25/57/13/719255713.db2.gz QRZQFPUQEZCMLE-IRXDYDNUSA-N 1 0 406.486 4.251 20 5 HIBDRO Cc1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164791478 721493058 /nfs/dbraw/zinc/49/30/58/721493058.db2.gz CRYVKLHPVHDRQM-UHFFFAOYSA-N 1 0 415.925 4.228 20 5 HIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791355 721493092 /nfs/dbraw/zinc/49/30/92/721493092.db2.gz BJWCGEVJDVQOTB-UHFFFAOYSA-N 1 0 415.925 4.228 20 5 HIBDRO C[NH+](C)[C@H]1CCCN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])C1 ZINC001165037191 721899268 /nfs/dbraw/zinc/89/92/68/721899268.db2.gz LCFCSGAHMDFVDN-IBGZPJMESA-N 1 0 406.486 4.252 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164995615 722197059 /nfs/dbraw/zinc/19/70/59/722197059.db2.gz WDANPYSJGIJWAM-FQEVSTJZSA-N 1 0 404.873 4.336 20 5 HIBDRO CC1CC[NH+](CCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435974779 861239072 /nfs/dbraw/zinc/23/90/72/861239072.db2.gz VGFLDOSIHSZODB-UHFFFAOYSA-N 1 0 409.505 4.062 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436011111 861302590 /nfs/dbraw/zinc/30/25/90/861302590.db2.gz NURCUXQWIJUQOQ-QZTJIDSGSA-N 1 0 405.542 4.169 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436246096 861556558 /nfs/dbraw/zinc/55/65/58/861556558.db2.gz JFLCQPGTDSGJFP-LMMKCTJWSA-N 1 0 403.526 4.159 20 5 HIBDRO O=[N+]([O-])c1cc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c2c(c1)COCO2 ZINC000011038212 845747915 /nfs/dbraw/zinc/74/79/15/845747915.db2.gz LHBRDBWNDGIQOS-UHFFFAOYSA-N 1 0 412.442 4.135 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000436314020 861617848 /nfs/dbraw/zinc/61/78/48/861617848.db2.gz QSEMDMVSCBRSIM-OKILXGFUSA-N 1 0 424.423 4.230 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000026093989 847082516 /nfs/dbraw/zinc/08/25/16/847082516.db2.gz SLGMGQIXDKTQEX-UHFFFAOYSA-N 1 0 417.531 4.469 20 5 HIBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436411068 861762990 /nfs/dbraw/zinc/76/29/90/861762990.db2.gz CQPPBVJQNXSITR-UHFFFAOYSA-N 1 0 415.484 4.201 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000029358421 847550861 /nfs/dbraw/zinc/55/08/61/847550861.db2.gz PTMHXXCJISSVKX-UHFFFAOYSA-N 1 0 401.894 4.410 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000029568081 847581078 /nfs/dbraw/zinc/58/10/78/847581078.db2.gz DMIFRTMSOISSKR-CHWSQXEVSA-N 1 0 406.280 4.344 20 5 HIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000030492463 847721581 /nfs/dbraw/zinc/72/15/81/847721581.db2.gz UGERBDHCFHUCOQ-GJZGRUSLSA-N 1 0 401.463 4.068 20 5 HIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000030492779 847721604 /nfs/dbraw/zinc/72/16/04/847721604.db2.gz FTBIHGJXVFNAJD-HOTGVXAUSA-N 1 0 415.490 4.377 20 5 HIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000030492464 847721646 /nfs/dbraw/zinc/72/16/46/847721646.db2.gz UGERBDHCFHUCOQ-HUUCEWRRSA-N 1 0 401.463 4.068 20 5 HIBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000039564074 848190646 /nfs/dbraw/zinc/19/06/46/848190646.db2.gz PAAGBNDVBZOMAY-SFHVURJKSA-N 1 0 416.566 4.024 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000043301770 848406775 /nfs/dbraw/zinc/40/67/75/848406775.db2.gz OBYAFZWCLFJKCS-CABCVRRESA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000045780068 848726088 /nfs/dbraw/zinc/72/60/88/848726088.db2.gz QAVHFDFBLDQNLL-GOSISDBHSA-N 1 0 410.518 4.311 20 5 HIBDRO CC(C)[NH+](CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)C ZINC000053757582 849755213 /nfs/dbraw/zinc/75/52/13/849755213.db2.gz RUXGTVIMODCBMC-QGZVFWFLSA-N 1 0 413.522 4.012 20 5 HIBDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056161984 850264085 /nfs/dbraw/zinc/26/40/85/850264085.db2.gz NGJNAXDKKVZKJB-LSDHHAIUSA-N 1 0 401.463 4.070 20 5 HIBDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056161981 850264925 /nfs/dbraw/zinc/26/49/25/850264925.db2.gz NGJNAXDKKVZKJB-CABCVRRESA-N 1 0 401.463 4.070 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000058519778 850844219 /nfs/dbraw/zinc/84/42/19/850844219.db2.gz JAZCFHYEAGTSKQ-MRXNPFEDSA-N 1 0 412.490 4.157 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000060414174 851091913 /nfs/dbraw/zinc/09/19/13/851091913.db2.gz JOIXFQGKHTUIAS-QGZVFWFLSA-N 1 0 413.543 4.235 20 5 HIBDRO C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000060630758 851172431 /nfs/dbraw/zinc/17/24/31/851172431.db2.gz PBOWNWUVLQYPAH-PGRDOPGGSA-N 1 0 410.518 4.428 20 5 HIBDRO COc1ccccc1[C@@H](CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000060858313 851233040 /nfs/dbraw/zinc/23/30/40/851233040.db2.gz YIGQHNLSFBLKFY-LJQANCHMSA-N 1 0 407.474 4.084 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000061012169 851272067 /nfs/dbraw/zinc/27/20/67/851272067.db2.gz HQDLAIHZDWWFLE-APWZRJJASA-N 1 0 416.522 4.246 20 5 HIBDRO CC(C)(C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000061013129 851273956 /nfs/dbraw/zinc/27/39/56/851273956.db2.gz RBYGBVXLUZDQEA-UHFFFAOYSA-N 1 0 419.909 4.241 20 5 HIBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000063695615 851743002 /nfs/dbraw/zinc/74/30/02/851743002.db2.gz TWHCEGIXFHYZDH-LJQANCHMSA-N 1 0 410.518 4.057 20 5 HIBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000064309952 851868635 /nfs/dbraw/zinc/86/86/35/851868635.db2.gz LJAFSKSJFVGPJK-UHFFFAOYSA-N 1 0 410.518 4.153 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000064721585 851967945 /nfs/dbraw/zinc/96/79/45/851967945.db2.gz JCTVARSCTPRTEB-CZUORRHYSA-N 1 0 423.922 4.030 20 5 HIBDRO CC[NH+](CC)[C@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000064904820 852017121 /nfs/dbraw/zinc/01/71/21/852017121.db2.gz JDDXKVMEFCUDEU-LJQANCHMSA-N 1 0 404.898 4.103 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000064934742 852024257 /nfs/dbraw/zinc/02/42/57/852024257.db2.gz YZDSQJYFKDOWFC-MAUKXSAKSA-N 1 0 422.510 4.284 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000065121839 852071836 /nfs/dbraw/zinc/07/18/36/852071836.db2.gz XKMZPYCZPWHAPP-GOSISDBHSA-N 1 0 409.408 4.427 20 5 HIBDRO C[N@H+](Cc1ccccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000065510466 852160876 /nfs/dbraw/zinc/16/08/76/852160876.db2.gz BWOUUOHUBHHWSA-UHFFFAOYSA-N 1 0 424.545 4.401 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)CC1 ZINC000065842930 852280673 /nfs/dbraw/zinc/28/06/73/852280673.db2.gz XEZAPXNQBWHXDQ-UHFFFAOYSA-N 1 0 420.513 4.098 20 5 HIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000096956040 852563477 /nfs/dbraw/zinc/56/34/77/852563477.db2.gz WNXLLSHCDGMHNL-RYUDHWBXSA-N 1 0 422.279 4.044 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000109498197 852977176 /nfs/dbraw/zinc/97/71/76/852977176.db2.gz GKZJEFOPFVJTIO-UHFFFAOYSA-N 1 0 417.556 4.183 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2cccs2)CC1 ZINC000109870952 853025918 /nfs/dbraw/zinc/02/59/18/853025918.db2.gz DSGAQXBWGTYIBO-IBGZPJMESA-N 1 0 412.515 4.341 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000110200239 853073301 /nfs/dbraw/zinc/07/33/01/853073301.db2.gz LMOZRSPLPGYSKY-UHFFFAOYSA-N 1 0 401.894 4.029 20 5 HIBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)C[C@H](C)O1 ZINC000110414248 853097470 /nfs/dbraw/zinc/09/74/70/853097470.db2.gz HOGXYGHFQPDYDM-KDURUIRLSA-N 1 0 417.553 4.349 20 5 HIBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000437240647 862452540 /nfs/dbraw/zinc/45/25/40/862452540.db2.gz NKJXFPYJQHILOW-MQMHXKEQSA-N 1 0 410.392 4.422 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000140349598 853443079 /nfs/dbraw/zinc/44/30/79/853443079.db2.gz BARHCECFPXMXDZ-NWDGAFQWSA-N 1 0 411.380 4.300 20 5 HIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000226692221 853882025 /nfs/dbraw/zinc/88/20/25/853882025.db2.gz FSWSSTYFFAUNTC-SJORKVTESA-N 1 0 422.957 4.019 20 5 HIBDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000236681346 853911602 /nfs/dbraw/zinc/91/16/02/853911602.db2.gz IRAQCGVHNAXFIG-SJORKVTESA-N 1 0 401.532 4.496 20 5 HIBDRO CC1(C)[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@@H]21 ZINC000236741117 853918554 /nfs/dbraw/zinc/91/85/54/853918554.db2.gz PDNURTBFENWHKK-MZYLBHOOSA-N 1 0 418.497 4.351 20 5 HIBDRO CC[NH+]1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000236920688 853938421 /nfs/dbraw/zinc/93/84/21/853938421.db2.gz VGPRCFBUXQACPL-UHFFFAOYSA-N 1 0 408.296 4.191 20 5 HIBDRO CC[N@@H+]1CCC[C@@H](CNCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000236930488 853939222 /nfs/dbraw/zinc/93/92/22/853939222.db2.gz FPKPXMIQBYRKMF-IBGZPJMESA-N 1 0 413.518 4.004 20 5 HIBDRO C[NH+](C)[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000237030638 853953425 /nfs/dbraw/zinc/95/34/25/853953425.db2.gz CMFTZDDVGICCQR-QGZVFWFLSA-N 1 0 408.296 4.047 20 5 HIBDRO CNC(=O)c1cccc(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 ZINC000237048663 853956425 /nfs/dbraw/zinc/95/64/25/853956425.db2.gz GHMFZTBKFBOMFB-UHFFFAOYSA-N 1 0 423.444 4.218 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237178891 853976521 /nfs/dbraw/zinc/97/65/21/853976521.db2.gz ZTPJDFAJTUWWTF-ZDUSSCGKSA-N 1 0 408.296 4.049 20 5 HIBDRO COc1cc(C[NH2+]CCc2csc(C)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237203935 853982042 /nfs/dbraw/zinc/98/20/42/853982042.db2.gz CJNRSIANGPTYNQ-UHFFFAOYSA-N 1 0 413.499 4.280 20 5 HIBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000437274994 862519556 /nfs/dbraw/zinc/51/95/56/862519556.db2.gz IOYBLDHKGBVMMW-UHFFFAOYSA-N 1 0 421.419 4.350 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237337432 854008669 /nfs/dbraw/zinc/00/86/69/854008669.db2.gz ZAJNUEJFISEPRZ-QIJUGHKUSA-N 1 0 412.486 4.086 20 5 HIBDRO COc1ccc(C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000237354903 854012605 /nfs/dbraw/zinc/01/26/05/854012605.db2.gz GHLVHVSGGAFHMC-UHFFFAOYSA-N 1 0 423.435 4.376 20 5 HIBDRO COc1ccc(C[NH2+]CC2(c3cc(Cl)ccc3OC)CCOCC2)cc1[N+](=O)[O-] ZINC000237364816 854015602 /nfs/dbraw/zinc/01/56/02/854015602.db2.gz QZZWTKDCPWAPDE-UHFFFAOYSA-N 1 0 420.893 4.103 20 5 HIBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237397751 854022708 /nfs/dbraw/zinc/02/27/08/854022708.db2.gz VGCXGSHNCKGVPE-RDTXWAMCSA-N 1 0 406.866 4.324 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCCc3nc4ccccc4[nH]3)o2)c([N+](=O)[O-])c1 ZINC000237415727 854027413 /nfs/dbraw/zinc/02/74/13/854027413.db2.gz NXVPCZZNUWBXBY-UHFFFAOYSA-N 1 0 406.442 4.462 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cccc(Cn4ccnc4)c3)o2)c([N+](=O)[O-])c1 ZINC000237421607 854029817 /nfs/dbraw/zinc/02/98/17/854029817.db2.gz WTLAYSBVARAXSP-UHFFFAOYSA-N 1 0 418.453 4.398 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(-n4ccnc4)c(F)c3)o2)c([N+](=O)[O-])c1 ZINC000237420839 854029908 /nfs/dbraw/zinc/02/99/08/854029908.db2.gz NASYXLVLRHWPSJ-UHFFFAOYSA-N 1 0 422.416 4.478 20 5 HIBDRO CS(=O)(=O)c1cccc([C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000237472588 854040201 /nfs/dbraw/zinc/04/02/01/854040201.db2.gz HPMWCSBVBKAEDN-IYJBSMEOSA-N 1 0 422.506 4.391 20 5 HIBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237477429 854042060 /nfs/dbraw/zinc/04/20/60/854042060.db2.gz PLPDVLBBJFODNO-GMAHTHKFSA-N 1 0 406.486 4.088 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCn2cnnc2C2CC2)cc1 ZINC000237731877 854086125 /nfs/dbraw/zinc/08/61/25/854086125.db2.gz DXRRPZWKDIXUDU-UHFFFAOYSA-N 1 0 413.865 4.299 20 5 HIBDRO Cn1cc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237762504 854091047 /nfs/dbraw/zinc/09/10/47/854091047.db2.gz KVPJVBALKSBXTC-UHFFFAOYSA-N 1 0 421.432 4.122 20 5 HIBDRO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(F)c(F)c1F ZINC000237845641 854107265 /nfs/dbraw/zinc/10/72/65/854107265.db2.gz RPSHKSXCFKVRCZ-UHFFFAOYSA-N 1 0 421.400 4.469 20 5 HIBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccccc1Cl ZINC000237856639 854109599 /nfs/dbraw/zinc/10/95/99/854109599.db2.gz ISIMHLZQVNTXAO-UHFFFAOYSA-N 1 0 415.902 4.496 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCN(c4ccc(F)cc4F)C3)cs2)c1 ZINC000237863711 854110869 /nfs/dbraw/zinc/11/08/69/854110869.db2.gz LGCYBKOBKWLZST-OAHLLOKOSA-N 1 0 416.453 4.365 20 5 HIBDRO O=C(CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NCc1ccccc1 ZINC000237880064 854113660 /nfs/dbraw/zinc/11/36/60/854113660.db2.gz HRKAGBFRBYTIRW-UHFFFAOYSA-N 1 0 423.444 4.322 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCOC2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000237880366 854113949 /nfs/dbraw/zinc/11/39/49/854113949.db2.gz FFYGJPGKLBXTJK-UHFFFAOYSA-N 1 0 404.438 4.202 20 5 HIBDRO O=C(NCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000237929841 854120842 /nfs/dbraw/zinc/12/08/42/854120842.db2.gz GNWKQOMSAJOUTH-UHFFFAOYSA-N 1 0 415.833 4.153 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)s1 ZINC000237963965 854126800 /nfs/dbraw/zinc/12/68/00/854126800.db2.gz OTMLHBCDJIUGBP-NRFANRHFSA-N 1 0 423.538 4.486 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3nc4c(s3)CCCC4)cs2)c1 ZINC000238006973 854132626 /nfs/dbraw/zinc/13/26/26/854132626.db2.gz HJBHDTUJKAZZLR-UHFFFAOYSA-N 1 0 400.529 4.386 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3ccc(-n4cccn4)cc3)cs2)c1 ZINC000238006744 854132724 /nfs/dbraw/zinc/13/27/24/854132724.db2.gz VOBGJWZSLPRJJP-UHFFFAOYSA-N 1 0 405.483 4.236 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261421979 854256160 /nfs/dbraw/zinc/25/61/60/854256160.db2.gz HZWBXDMDQKMWMX-SUMWQHHRSA-N 1 0 411.380 4.020 20 5 HIBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000301507203 854409513 /nfs/dbraw/zinc/40/95/13/854409513.db2.gz AAYVFUFCZKJLOS-RXVVDRJESA-N 1 0 422.529 4.296 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000301603456 854427742 /nfs/dbraw/zinc/42/77/42/854427742.db2.gz XDPGXEJTCLLUHV-GUYCJALGSA-N 1 0 405.296 4.075 20 5 HIBDRO CCOc1cc(Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000301959461 854504838 /nfs/dbraw/zinc/50/48/38/854504838.db2.gz PLAHKTJPBJTOIZ-UHFFFAOYSA-N 1 0 402.470 4.407 20 5 HIBDRO CCc1c(C)[nH+]c2ccccc2c1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000302031900 854518954 /nfs/dbraw/zinc/51/89/54/854518954.db2.gz KGUJLYWYZMJZSL-UHFFFAOYSA-N 1 0 410.499 4.038 20 5 HIBDRO Cc1cc(NCc2ccc(Cn3ccccc3=O)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302205594 854549672 /nfs/dbraw/zinc/54/96/72/854549672.db2.gz WVMCZAPNBFKCBX-UHFFFAOYSA-N 1 0 400.438 4.274 20 5 HIBDRO CC[N@H+](CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000303111054 854766374 /nfs/dbraw/zinc/76/63/74/854766374.db2.gz GBQZJJMLRVAPFD-UHFFFAOYSA-N 1 0 416.909 4.074 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303746240 855167870 /nfs/dbraw/zinc/16/78/70/855167870.db2.gz KBNFZHCDCMAABJ-CVDCTZTESA-N 1 0 424.545 4.298 20 5 HIBDRO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000303788749 855198527 /nfs/dbraw/zinc/19/85/27/855198527.db2.gz UPHQNUJRUCUYJK-XLIONFOSSA-N 1 0 411.502 4.119 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303809747 855213318 /nfs/dbraw/zinc/21/33/18/855213318.db2.gz YQDTWBFSXKQEMJ-RDJZCZTQSA-N 1 0 401.894 4.373 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000410158045 855843417 /nfs/dbraw/zinc/84/34/17/855843417.db2.gz OINMGURFALRZLA-ROUUACIJSA-N 1 0 410.518 4.072 20 5 HIBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000426131489 856128632 /nfs/dbraw/zinc/12/86/32/856128632.db2.gz PIIINPNIUDXZAB-UHFFFAOYSA-N 1 0 411.502 4.024 20 5 HIBDRO Cc1cc(Cc2noc([C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000426411316 856279316 /nfs/dbraw/zinc/27/93/16/856279316.db2.gz LSAJLJULYNOEKI-ZIAGYGMSSA-N 1 0 412.412 4.253 20 5 HIBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000427373361 856800135 /nfs/dbraw/zinc/80/01/35/856800135.db2.gz XQPOHVBCMPUWGP-UHFFFAOYSA-N 1 0 423.435 4.137 20 5 HIBDRO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427570257 856871559 /nfs/dbraw/zinc/87/15/59/856871559.db2.gz SOWMFNPBWRRXNO-LJQANCHMSA-N 1 0 411.477 4.137 20 5 HIBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000428471723 857212225 /nfs/dbraw/zinc/21/22/25/857212225.db2.gz YQXUSDDREGTRGN-HSZRJFAPSA-N 1 0 414.502 4.167 20 5 HIBDRO CC1(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000429093503 857506353 /nfs/dbraw/zinc/50/63/53/857506353.db2.gz IAMBBPKREBFPSE-UHFFFAOYSA-N 1 0 404.470 4.384 20 5 HIBDRO Cc1noc(C[C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc2)n1 ZINC000429529450 857722146 /nfs/dbraw/zinc/72/21/46/857722146.db2.gz PLYLCAKLLOWBJD-LJQANCHMSA-N 1 0 419.441 4.057 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000429973812 857977192 /nfs/dbraw/zinc/97/71/92/857977192.db2.gz WSMCXOHBRMVKNH-GOSISDBHSA-N 1 0 420.307 4.170 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000430142862 858052334 /nfs/dbraw/zinc/05/23/34/858052334.db2.gz ASCBQQXEOMJJJU-SJCJKPOMSA-N 1 0 411.271 4.141 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000430194568 858076364 /nfs/dbraw/zinc/07/63/64/858076364.db2.gz JWSJJBFLYPAHQZ-MRXNPFEDSA-N 1 0 412.421 4.172 20 5 HIBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000430383873 858141209 /nfs/dbraw/zinc/14/12/09/858141209.db2.gz JNRHUYMSDOMDAS-KRWDZBQOSA-N 1 0 405.564 4.433 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000431000877 858400187 /nfs/dbraw/zinc/40/01/87/858400187.db2.gz SFYFDXAUVWOKCM-OAHLLOKOSA-N 1 0 401.488 4.031 20 5 HIBDRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000431136927 858464783 /nfs/dbraw/zinc/46/47/83/858464783.db2.gz GUDGMMRSLMAHFG-UHFFFAOYSA-N 1 0 417.531 4.052 20 5 HIBDRO CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CCCO1 ZINC000467566466 881389821 /nfs/dbraw/zinc/38/98/21/881389821.db2.gz WZYADEDRTOPERE-HXUWFJFHSA-N 1 0 400.475 4.183 20 5 HIBDRO CSC1(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000432514563 859203836 /nfs/dbraw/zinc/20/38/36/859203836.db2.gz MQJDHTQRNYHCRM-KRWDZBQOSA-N 1 0 405.907 4.413 20 5 HIBDRO CCOc1cc(C[N@H+](C)[C@H]2CC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000433047281 859499054 /nfs/dbraw/zinc/49/90/54/859499054.db2.gz WSEZDLDWOJKQDD-LPHOPBHVSA-N 1 0 416.522 4.198 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000433112802 859526122 /nfs/dbraw/zinc/52/61/22/859526122.db2.gz CEUORWSYUATZQZ-UHFFFAOYSA-N 1 0 414.506 4.372 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153738 859542722 /nfs/dbraw/zinc/54/27/22/859542722.db2.gz QQDHXLBSFAXJSU-MOPGFXCFSA-N 1 0 401.532 4.042 20 5 HIBDRO CC1(C)C[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433239225 859585129 /nfs/dbraw/zinc/58/51/29/859585129.db2.gz FKXYUPSNTCKKEL-QFIPXVFZSA-N 1 0 422.529 4.127 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434899070 860544501 /nfs/dbraw/zinc/54/45/01/860544501.db2.gz ZEHMWBQEFHLNFO-UHFFFAOYSA-N 1 0 413.861 4.336 20 5 HIBDRO Cc1c(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435330504 860741400 /nfs/dbraw/zinc/74/14/00/860741400.db2.gz TZFLBQQDBKUEAW-UHFFFAOYSA-N 1 0 415.332 4.248 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435636274 860928688 /nfs/dbraw/zinc/92/86/88/860928688.db2.gz IZZUIKWQDPJKOB-UHFFFAOYSA-N 1 0 406.486 4.263 20 5 HIBDRO CN(C)C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000438320605 863800341 /nfs/dbraw/zinc/80/03/41/863800341.db2.gz CYMZOMNOPBIJEU-UHFFFAOYSA-N 1 0 405.502 4.021 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000438545030 863971990 /nfs/dbraw/zinc/97/19/90/863971990.db2.gz KSBAHTVTKRTWHI-UHFFFAOYSA-N 1 0 416.566 4.064 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000438559436 863990872 /nfs/dbraw/zinc/99/08/72/863990872.db2.gz AFOZMKZLVDRGNY-UHFFFAOYSA-N 1 0 416.566 4.064 20 5 HIBDRO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438821116 864314921 /nfs/dbraw/zinc/31/49/21/864314921.db2.gz RQUKHVCURCQILS-IBGZPJMESA-N 1 0 414.502 4.001 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000438947069 864420843 /nfs/dbraw/zinc/42/08/43/864420843.db2.gz ADDQZQRZHRNQAM-JIPZTSHUSA-N 1 0 415.921 4.443 20 5 HIBDRO CC(C)c1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1[N+](=O)[O-] ZINC000439467016 864843015 /nfs/dbraw/zinc/84/30/15/864843015.db2.gz VYVHWQBLFHQMSS-UHFFFAOYSA-N 1 0 407.514 4.381 20 5 HIBDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000439474561 864844493 /nfs/dbraw/zinc/84/44/93/864844493.db2.gz XKPUZTNCHOTVSW-LLVKDONJSA-N 1 0 424.320 4.369 20 5 HIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCOCc1ccccc1 ZINC000439479259 864846801 /nfs/dbraw/zinc/84/68/01/864846801.db2.gz RISPJRPEQGTUGC-OAHLLOKOSA-N 1 0 405.882 4.114 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000439629549 864954915 /nfs/dbraw/zinc/95/49/15/864954915.db2.gz AINXZHULPVOINC-UPZYVNNASA-N 1 0 423.513 4.376 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467993454 881839348 /nfs/dbraw/zinc/83/93/48/881839348.db2.gz IDXOHFRCNDQRFI-CQSZACIVSA-N 1 0 404.898 4.177 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000439887946 865201013 /nfs/dbraw/zinc/20/10/13/865201013.db2.gz MDFZJLOTXKBOSJ-QGZVFWFLSA-N 1 0 404.511 4.113 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000439913831 865222170 /nfs/dbraw/zinc/22/21/70/865222170.db2.gz XFTBAPQWNSDTSY-UHFFFAOYSA-N 1 0 412.490 4.088 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000439935069 865234616 /nfs/dbraw/zinc/23/46/16/865234616.db2.gz UAGUWLKFJCVCDS-INIZCTEOSA-N 1 0 412.490 4.341 20 5 HIBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441062679 866143498 /nfs/dbraw/zinc/14/34/98/866143498.db2.gz NMVJGDFNOPFYNB-WMZOPIPTSA-N 1 0 411.527 4.302 20 5 HIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441071048 866159205 /nfs/dbraw/zinc/15/92/05/866159205.db2.gz PXZLWYJMMKSYNN-GFCCVEGCSA-N 1 0 401.410 4.329 20 5 HIBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000442635703 867579720 /nfs/dbraw/zinc/57/97/20/867579720.db2.gz QIVOGUFZGCFETG-WMZOPIPTSA-N 1 0 411.527 4.302 20 5 HIBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442795921 867677871 /nfs/dbraw/zinc/67/78/71/867677871.db2.gz FIWYNEXVBTWUIT-UHFFFAOYSA-N 1 0 411.527 4.350 20 5 HIBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442805168 867681514 /nfs/dbraw/zinc/68/15/14/867681514.db2.gz ZCFXJTIIMVONMD-KRWDZBQOSA-N 1 0 411.527 4.493 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000443964796 868497629 /nfs/dbraw/zinc/49/76/29/868497629.db2.gz VBOHCMKNUQBAFO-UHFFFAOYSA-N 1 0 406.433 4.086 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444032413 868565386 /nfs/dbraw/zinc/56/53/86/868565386.db2.gz KOOVGUUTMPAZNU-RBUKOAKNSA-N 1 0 417.553 4.408 20 5 HIBDRO C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444301611 868732103 /nfs/dbraw/zinc/73/21/03/868732103.db2.gz FZIDNVWEPYITGA-CVEARBPZSA-N 1 0 421.516 4.203 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)nc2c1 ZINC000444671454 868949643 /nfs/dbraw/zinc/94/96/43/868949643.db2.gz GHCGURIFVDQSTC-SNVBAGLBSA-N 1 0 411.409 4.326 20 5 HIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000444680960 868955107 /nfs/dbraw/zinc/95/51/07/868955107.db2.gz XVHBONPWGALXFM-LBPRGKRZSA-N 1 0 406.389 4.078 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000444728245 868980087 /nfs/dbraw/zinc/98/00/87/868980087.db2.gz BGZNMRJMZHCYMQ-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000444768524 868993556 /nfs/dbraw/zinc/99/35/56/868993556.db2.gz UFQZJJSSVHOGNZ-NSHDSACASA-N 1 0 412.309 4.407 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444828991 869037754 /nfs/dbraw/zinc/03/77/54/869037754.db2.gz PQXVDKQTSLGTQX-HSZRJFAPSA-N 1 0 411.505 4.248 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444830561 869038897 /nfs/dbraw/zinc/03/88/97/869038897.db2.gz UBUKXJRMOMMJLF-UHFFFAOYSA-N 1 0 411.505 4.207 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000444903314 869091240 /nfs/dbraw/zinc/09/12/40/869091240.db2.gz XSEKTGKAYOHQLA-WIYYLYMNSA-N 1 0 424.501 4.122 20 5 HIBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000444929432 869112744 /nfs/dbraw/zinc/11/27/44/869112744.db2.gz YDGYZYOUQVOVBK-LPHOPBHVSA-N 1 0 412.490 4.293 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000446499579 870417769 /nfs/dbraw/zinc/41/77/69/870417769.db2.gz QYPKJAMNWCGIGN-HSZRJFAPSA-N 1 0 408.502 4.423 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC(c4cccc(Br)c4)C3)nc2c1 ZINC000446857044 870778759 /nfs/dbraw/zinc/77/87/59/870778759.db2.gz RSUWNMKAHQKELG-UHFFFAOYSA-N 1 0 401.264 4.269 20 5 HIBDRO CCCCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447533841 871398666 /nfs/dbraw/zinc/39/86/66/871398666.db2.gz YVONTTPJVACTBW-ROUUACIJSA-N 1 0 402.495 4.252 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccc(F)c(Br)c2)n1 ZINC000447533309 871398785 /nfs/dbraw/zinc/39/87/85/871398785.db2.gz XKXKYINOTSALQL-JKSUJKDBSA-N 1 0 411.275 4.009 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccccc1 ZINC000447541841 871407907 /nfs/dbraw/zinc/40/79/07/871407907.db2.gz NUPVNDQMVDMZHY-RTWAWAEBSA-N 1 0 419.485 4.317 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2Oc2cccc(F)c2)n1 ZINC000447546568 871415466 /nfs/dbraw/zinc/41/54/66/871415466.db2.gz XBQGLFWVWUIMCO-OALUTQOASA-N 1 0 411.437 4.391 20 5 HIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000447549177 871424699 /nfs/dbraw/zinc/42/46/99/871424699.db2.gz DCGWPMIDAPDXGE-WZONZLPQSA-N 1 0 423.517 4.140 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000447554416 871436703 /nfs/dbraw/zinc/43/67/03/871436703.db2.gz VQXBKCUXTHIMDG-INIZCTEOSA-N 1 0 416.421 4.258 20 5 HIBDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000447581411 871487059 /nfs/dbraw/zinc/48/70/59/871487059.db2.gz UJVLNOVDFMZMMQ-MWTRTKDXSA-N 1 0 411.502 4.106 20 5 HIBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cccc21 ZINC000447730674 871679607 /nfs/dbraw/zinc/67/96/07/871679607.db2.gz QQKHZCQROGDMCL-NRFANRHFSA-N 1 0 413.477 4.319 20 5 HIBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448362030 872311314 /nfs/dbraw/zinc/31/13/14/872311314.db2.gz ZDBNQPSUNPFFIA-UTKZUKDTSA-N 1 0 414.502 4.308 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448450633 872397300 /nfs/dbraw/zinc/39/73/00/872397300.db2.gz VKUCVRAISDJMCE-HTAPYJJXSA-N 1 0 421.497 4.476 20 5 HIBDRO CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000460497093 873183922 /nfs/dbraw/zinc/18/39/22/873183922.db2.gz RXJFIXLOTQFTNI-XJUOHMSHSA-N 1 0 422.529 4.209 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000468621173 882740673 /nfs/dbraw/zinc/74/06/73/882740673.db2.gz MGSPRKCHJBUEGE-ATVHPVEESA-N 1 0 402.454 4.435 20 5 HIBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000468692791 882816345 /nfs/dbraw/zinc/81/63/45/882816345.db2.gz GBADELXMWKXQFD-HXUWFJFHSA-N 1 0 414.502 4.431 20 5 HIBDRO 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 874274837 /nfs/dbraw/zinc/27/48/37/874274837.db2.gz VVJNZUQZGOKJKX-GGPKGHCWSA-N 1 0 416.566 4.024 20 5 HIBDRO 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 874275929 /nfs/dbraw/zinc/27/59/29/874275929.db2.gz VVJNZUQZGOKJKX-NSHGMRRFSA-N 1 0 416.566 4.024 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCCC1)c1ccccc1 ZINC000468705303 882822237 /nfs/dbraw/zinc/82/22/37/882822237.db2.gz DCHCIMBJJYWNPE-INIZCTEOSA-N 1 0 417.531 4.074 20 5 HIBDRO CSc1cccc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000461464873 874522730 /nfs/dbraw/zinc/52/27/30/874522730.db2.gz CJNPKZIHYSYSIF-SFHVURJKSA-N 1 0 413.543 4.349 20 5 HIBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000461712274 874861185 /nfs/dbraw/zinc/86/11/85/874861185.db2.gz NABGSSWYPAXFDJ-OAHLLOKOSA-N 1 0 415.490 4.102 20 5 HIBDRO CCOC(=O)c1csc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000468840906 882885726 /nfs/dbraw/zinc/88/57/26/882885726.db2.gz CZYNOMUGTSWDMZ-FQEVSTJZSA-N 1 0 411.483 4.150 20 5 HIBDRO Cc1cc(NCC2([NH+]3CCCCC3)CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461935293 875070913 /nfs/dbraw/zinc/07/09/13/875070913.db2.gz KBLFPEQDZGQYAF-UHFFFAOYSA-N 1 0 401.429 4.369 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000462601164 875715841 /nfs/dbraw/zinc/71/58/41/875715841.db2.gz HARASVSTYCWYTR-MWXLCCTBSA-N 1 0 401.551 4.323 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)Oc3ccccc3OC)o2)c([N+](=O)[O-])c1 ZINC000462751378 875818403 /nfs/dbraw/zinc/81/84/03/875818403.db2.gz WWCUHNRMTCPSME-HNNXBMFYSA-N 1 0 412.442 4.429 20 5 HIBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000462859172 875892473 /nfs/dbraw/zinc/89/24/73/875892473.db2.gz CJPBAHQWWQZNNP-XLIONFOSSA-N 1 0 410.518 4.322 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C[NH+]4CCCCC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000462914577 875940154 /nfs/dbraw/zinc/94/01/54/875940154.db2.gz RKPAPYUYXOOZFS-LJQANCHMSA-N 1 0 422.529 4.468 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000462926874 875955595 /nfs/dbraw/zinc/95/55/95/875955595.db2.gz LNOJEGFTKCAGIV-LEWJYISDSA-N 1 0 401.551 4.134 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462993592 876008834 /nfs/dbraw/zinc/00/88/34/876008834.db2.gz SWCWZQXXYGORQL-SESVDKBCSA-N 1 0 401.551 4.277 20 5 HIBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463093667 876126364 /nfs/dbraw/zinc/12/63/64/876126364.db2.gz NFYUQXZPUIADSR-INIZCTEOSA-N 1 0 407.392 4.008 20 5 HIBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000463197910 876258647 /nfs/dbraw/zinc/25/86/47/876258647.db2.gz KIGDQUICCLSKAO-SEVLPDGMSA-N 1 0 413.518 4.444 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463382912 876437939 /nfs/dbraw/zinc/43/79/39/876437939.db2.gz VASVNFZJASGYJC-OKILXGFUSA-N 1 0 401.429 4.102 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000463490413 876548820 /nfs/dbraw/zinc/54/88/20/876548820.db2.gz MARQYGJPDPICKJ-CYBMUJFWSA-N 1 0 409.408 4.473 20 5 HIBDRO COc1cc(Br)ccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000468999605 883065774 /nfs/dbraw/zinc/06/57/74/883065774.db2.gz NYNOXPOKNSAIEZ-VXGBXAGGSA-N 1 0 422.279 4.044 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463825716 876940909 /nfs/dbraw/zinc/94/09/09/876940909.db2.gz JKOLWDMANPZVJT-GJZGRUSLSA-N 1 0 413.440 4.340 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732519 877969249 /nfs/dbraw/zinc/96/92/49/877969249.db2.gz HKSVKILURLTFTM-ZBFHGGJFSA-N 1 0 401.429 4.169 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(N4CCc5ccccc54)CC3)o2)c1 ZINC000503375675 912357818 /nfs/dbraw/zinc/35/78/18/912357818.db2.gz LNMBXVBSIDJTOZ-UHFFFAOYSA-N 1 0 418.497 4.319 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465573969 879048685 /nfs/dbraw/zinc/04/86/85/879048685.db2.gz ORGRIZKHTDUVJP-SFHVURJKSA-N 1 0 410.518 4.011 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000466361741 880120455 /nfs/dbraw/zinc/12/04/55/880120455.db2.gz DJUBGIOVPCDXKO-LFIBNONCSA-N 1 0 401.894 4.278 20 5 HIBDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000466390661 880152447 /nfs/dbraw/zinc/15/24/47/880152447.db2.gz IVSYTFUTFORWMM-UHFFFAOYSA-N 1 0 416.524 4.407 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000466814697 880589732 /nfs/dbraw/zinc/58/97/32/880589732.db2.gz SCIXFUAMPHVQIU-ZDUSSCGKSA-N 1 0 405.907 4.081 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000467450305 881254071 /nfs/dbraw/zinc/25/40/71/881254071.db2.gz UTZYZIDNSFGQAN-RHSMWYFYSA-N 1 0 409.408 4.432 20 5 HIBDRO O=C(NCCc1ncc[nH]1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467511710 881325055 /nfs/dbraw/zinc/32/50/55/881325055.db2.gz DTROBOGUSMZAQH-UHFFFAOYSA-N 1 0 402.863 4.095 20 5 HIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cccc1[N+](=O)[O-] ZINC000469100961 883191011 /nfs/dbraw/zinc/19/10/11/883191011.db2.gz UEBNFZVUCLRIJF-IFXJQAMLSA-N 1 0 403.429 4.023 20 5 HIBDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000469274400 883372653 /nfs/dbraw/zinc/37/26/53/883372653.db2.gz WELZTDJOTXMEFY-VQTJNVASSA-N 1 0 403.429 4.105 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000469958470 884164188 /nfs/dbraw/zinc/16/41/88/884164188.db2.gz WYXWMDOCKZZOQF-UHFFFAOYSA-N 1 0 405.882 4.498 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470127519 884390175 /nfs/dbraw/zinc/39/01/75/884390175.db2.gz COPCRSKSARJWRI-KPZWWZAWSA-N 1 0 424.835 4.341 20 5 HIBDRO CC(C)[NH+](CCCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(C)C ZINC000470236611 884564141 /nfs/dbraw/zinc/56/41/41/884564141.db2.gz HQGIDFCNLFIDHD-GOSISDBHSA-N 1 0 404.555 4.070 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000471077487 885602412 /nfs/dbraw/zinc/60/24/12/885602412.db2.gz RYAJZPICCHAYDI-QHCPKHFHSA-N 1 0 420.469 4.015 20 5 HIBDRO Cc1ccc([C@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccn2)cc1 ZINC000471078112 885603768 /nfs/dbraw/zinc/60/37/68/885603768.db2.gz VMBJXNOYIZLBSN-QHCPKHFHSA-N 1 0 404.470 4.314 20 5 HIBDRO Cc1ccc([C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccn2)cc1 ZINC000471082683 885609333 /nfs/dbraw/zinc/60/93/33/885609333.db2.gz YIWGLICMQFTMSQ-QHCPKHFHSA-N 1 0 404.470 4.314 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473502491 888227303 /nfs/dbraw/zinc/22/73/03/888227303.db2.gz KDZNSWAVTAZXIJ-XMMPIXPASA-N 1 0 419.481 4.469 20 5 HIBDRO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473790449 888604280 /nfs/dbraw/zinc/60/42/80/888604280.db2.gz UXNUXWIBEJWBGM-UGKGYDQZSA-N 1 0 408.502 4.422 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000473989083 888850333 /nfs/dbraw/zinc/85/03/33/888850333.db2.gz OEMNYTANOCDCDW-IBGZPJMESA-N 1 0 414.433 4.011 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC000473989435 888851442 /nfs/dbraw/zinc/85/14/42/888851442.db2.gz AUFQCYFWWRQUFD-ZDUSSCGKSA-N 1 0 400.456 4.212 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000474156936 888991216 /nfs/dbraw/zinc/99/12/16/888991216.db2.gz GQCRHTLRKUEANZ-UHFFFAOYSA-N 1 0 403.454 4.372 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1[N+](=O)[O-] ZINC000474363764 889243070 /nfs/dbraw/zinc/24/30/70/889243070.db2.gz WZRWYEGBDBNKFX-JOCHJYFZSA-N 1 0 416.449 4.307 20 5 HIBDRO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000475113194 889964124 /nfs/dbraw/zinc/96/41/24/889964124.db2.gz RBGYFFBKJRJTGQ-YADARESESA-N 1 0 422.529 4.354 20 5 HIBDRO CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475170951 890037960 /nfs/dbraw/zinc/03/79/60/890037960.db2.gz BLSQQRLFQXDVPJ-RXVVDRJESA-N 1 0 410.518 4.270 20 5 HIBDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000475196321 890065146 /nfs/dbraw/zinc/06/51/46/890065146.db2.gz PZNFVGUHMLHTRT-UHFFFAOYSA-N 1 0 402.417 4.199 20 5 HIBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000475469079 890377722 /nfs/dbraw/zinc/37/77/22/890377722.db2.gz PONNZZQEUMVWBP-IBGZPJMESA-N 1 0 411.502 4.120 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N1Cc2ccccc2C1 ZINC000475497022 890405742 /nfs/dbraw/zinc/40/57/42/890405742.db2.gz RGPJUUVTIPMUMN-OAHLLOKOSA-N 1 0 407.495 4.344 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000475500941 890410129 /nfs/dbraw/zinc/41/01/29/890410129.db2.gz HSPZHZSOGQYZNY-HXUWFJFHSA-N 1 0 406.486 4.088 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[NH+]2CCCC2)cc1 ZINC000475547002 890472125 /nfs/dbraw/zinc/47/21/25/890472125.db2.gz MPIRSWRZGUNFNO-OAQYLSRUSA-N 1 0 412.490 4.179 20 5 HIBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000475628183 890566707 /nfs/dbraw/zinc/56/67/07/890566707.db2.gz ZUHWENRATKTREY-QRWLVFNGSA-N 1 0 406.866 4.278 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000475644235 890586770 /nfs/dbraw/zinc/58/67/70/890586770.db2.gz YZIDLRYVCFJKNR-HNAYVOBHSA-N 1 0 402.520 4.478 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000475644519 890587126 /nfs/dbraw/zinc/58/71/26/890587126.db2.gz ZPZYOGWIRKYPDR-UHFFFAOYSA-N 1 0 411.506 4.377 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475692100 890632065 /nfs/dbraw/zinc/63/20/65/890632065.db2.gz GAXMBMUZTROJRE-NWDGAFQWSA-N 1 0 401.394 4.167 20 5 HIBDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066018 891999313 /nfs/dbraw/zinc/99/93/13/891999313.db2.gz MTFDOEGCOZCPGW-PEGYKEAPSA-N 1 0 413.499 4.223 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000504894804 913624668 /nfs/dbraw/zinc/62/46/68/913624668.db2.gz OHYISVCLUWMTTQ-WMZOPIPTSA-N 1 0 421.588 4.190 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(N3CCC(OC)CC3)CCCC2)cc1[N+](=O)[O-] ZINC000504905446 913638942 /nfs/dbraw/zinc/63/89/42/913638942.db2.gz IQQFAASPDWKCRA-QGZVFWFLSA-N 1 0 405.539 4.068 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000504922122 913659110 /nfs/dbraw/zinc/65/91/10/913659110.db2.gz XUWRFURNUYTRQF-PKOBYXMFSA-N 1 0 419.547 4.030 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000504931165 913672302 /nfs/dbraw/zinc/67/23/02/913672302.db2.gz WHZFEAICSGXWOL-UONOGXRCSA-N 1 0 410.873 4.288 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000504931164 913672728 /nfs/dbraw/zinc/67/27/28/913672728.db2.gz WHZFEAICSGXWOL-KGLIPLIRSA-N 1 0 410.873 4.288 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000477623200 892730813 /nfs/dbraw/zinc/73/08/13/892730813.db2.gz VHLRPUQHGNXYEE-UHFFFAOYSA-N 1 0 407.923 4.260 20 5 HIBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504993590 913737021 /nfs/dbraw/zinc/73/70/21/913737021.db2.gz DQBIRIZSQUOJJX-FQEVSTJZSA-N 1 0 411.502 4.120 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053974 893207037 /nfs/dbraw/zinc/20/70/37/893207037.db2.gz NWNQVNOGZZVEFC-MJGOQNOKSA-N 1 0 416.566 4.207 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478633514 893886660 /nfs/dbraw/zinc/88/66/60/893886660.db2.gz SNEXHGPCNYFTAI-KRWDZBQOSA-N 1 0 405.564 4.190 20 5 HIBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000505101829 913817694 /nfs/dbraw/zinc/81/76/94/913817694.db2.gz BNJSOKIUHGMEBS-UHFFFAOYSA-N 1 0 400.398 4.171 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000479358382 894656936 /nfs/dbraw/zinc/65/69/36/894656936.db2.gz KPDDIICRPNZICS-UHFFFAOYSA-N 1 0 422.529 4.095 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(=O)(=O)CC)s1 ZINC000479446745 894763108 /nfs/dbraw/zinc/76/31/08/894763108.db2.gz OIDYMKWLIIAMSV-ZDUSSCGKSA-N 1 0 414.574 4.110 20 5 HIBDRO CCOc1ccc([C@H](C)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000479509729 894823499 /nfs/dbraw/zinc/82/34/99/894823499.db2.gz COAHKDDLKUVVHN-SWLSCSKDSA-N 1 0 414.380 4.276 20 5 HIBDRO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000479629945 894896728 /nfs/dbraw/zinc/89/67/28/894896728.db2.gz VYOLIXHNJOCPAS-FXAWDEMLSA-N 1 0 411.502 4.209 20 5 HIBDRO Cc1c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480073865 895423911 /nfs/dbraw/zinc/42/39/11/895423911.db2.gz XXIAAPNRFBBGRQ-FYYLOGMGSA-N 1 0 422.529 4.099 20 5 HIBDRO Cc1c(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000480075491 895426855 /nfs/dbraw/zinc/42/68/55/895426855.db2.gz SQOUMZHYRVHFEW-KRWDZBQOSA-N 1 0 402.539 4.089 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)Cc3ccc(F)c(F)c3)o2)cc1 ZINC000480455345 895842166 /nfs/dbraw/zinc/84/21/66/895842166.db2.gz TXOWJNGUIWFLLA-HNNXBMFYSA-N 1 0 402.397 4.074 20 5 HIBDRO Cc1c(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cccc1[N+](=O)[O-] ZINC000480456022 895842218 /nfs/dbraw/zinc/84/22/18/895842218.db2.gz XRQWIAQKOAHYCU-UHFFFAOYSA-N 1 0 413.481 4.500 20 5 HIBDRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480534887 895897859 /nfs/dbraw/zinc/89/78/59/895897859.db2.gz HMSCAULFQUXISL-INIZCTEOSA-N 1 0 424.526 4.406 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481176894 896512477 /nfs/dbraw/zinc/51/24/77/896512477.db2.gz OYFKIXRSDKKHIP-VGOFRKELSA-N 1 0 406.486 4.250 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481308847 896654307 /nfs/dbraw/zinc/65/43/07/896654307.db2.gz BUOBCELRQWSIRL-JKSUJKDBSA-N 1 0 409.515 4.433 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481872906 897244350 /nfs/dbraw/zinc/24/43/50/897244350.db2.gz JFTBAAAYFVJLLT-WIYYLYMNSA-N 1 0 419.481 4.468 20 5 HIBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482077543 897516859 /nfs/dbraw/zinc/51/68/59/897516859.db2.gz FUZOTNWTALXIQU-UHFFFAOYSA-N 1 0 412.943 4.121 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000505496372 914182352 /nfs/dbraw/zinc/18/23/52/914182352.db2.gz RTENQLBYVRCSPZ-SFHVURJKSA-N 1 0 405.495 4.269 20 5 HIBDRO COc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000505496702 914181466 /nfs/dbraw/zinc/18/14/66/914181466.db2.gz ZHVIHEGGBDZVNM-UHFFFAOYSA-N 1 0 421.291 4.161 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000482412986 897957706 /nfs/dbraw/zinc/95/77/06/897957706.db2.gz HVIADLZVLRAZKO-KRWDZBQOSA-N 1 0 407.561 4.437 20 5 HIBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482663865 898266800 /nfs/dbraw/zinc/26/68/00/898266800.db2.gz OKLROUNELOHZGV-OAHLLOKOSA-N 1 0 420.494 4.212 20 5 HIBDRO Cc1c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482770130 898377600 /nfs/dbraw/zinc/37/76/00/898377600.db2.gz MTLBVJFTQOIOOH-KNQAVFIVSA-N 1 0 408.502 4.422 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)C1CC1 ZINC000482874305 898486755 /nfs/dbraw/zinc/48/67/55/898486755.db2.gz NRRXTSXKKWRWNW-QHCPKHFHSA-N 1 0 410.514 4.401 20 5 HIBDRO Cc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000482887853 898504793 /nfs/dbraw/zinc/50/47/93/898504793.db2.gz LDJHLILEIDJXOT-UHFFFAOYSA-N 1 0 421.501 4.227 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000482941094 898563411 /nfs/dbraw/zinc/56/34/11/898563411.db2.gz AOHOEWCQTFNCTN-QGZVFWFLSA-N 1 0 419.485 4.471 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000483217557 898864132 /nfs/dbraw/zinc/86/41/32/898864132.db2.gz ZHSFCUFNWZLKDC-SFHVURJKSA-N 1 0 411.527 4.446 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000483558762 899215706 /nfs/dbraw/zinc/21/57/06/899215706.db2.gz IDJXDBUTOMVZNP-ROUUACIJSA-N 1 0 405.564 4.289 20 5 HIBDRO CSc1cccc(N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C2CC[NH+](C)CC2)c1 ZINC000484370400 899914445 /nfs/dbraw/zinc/91/44/45/899914445.db2.gz JOXWRUXFIGMZQV-UHFFFAOYSA-N 1 0 403.479 4.197 20 5 HIBDRO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000484648122 900092997 /nfs/dbraw/zinc/09/29/97/900092997.db2.gz CPGONTVMQACHCS-UXHICEINSA-N 1 0 408.458 4.433 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000484945797 900314748 /nfs/dbraw/zinc/31/47/48/900314748.db2.gz CXJFIJCVKAMHQO-ROUUACIJSA-N 1 0 413.905 4.151 20 5 HIBDRO Cc1sc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000505768058 914436098 /nfs/dbraw/zinc/43/60/98/914436098.db2.gz WGTHHMGOJYHYFZ-UHFFFAOYSA-N 1 0 416.503 4.032 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000485162881 900461550 /nfs/dbraw/zinc/46/15/50/900461550.db2.gz SGVIZEYNHIHGRK-XLIONFOSSA-N 1 0 410.518 4.056 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000485705878 900955584 /nfs/dbraw/zinc/95/55/84/900955584.db2.gz QNQURMFOZNDKDE-HNNXBMFYSA-N 1 0 417.456 4.106 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000485964190 901180433 /nfs/dbraw/zinc/18/04/33/901180433.db2.gz AZFGJCWUSBRRPK-UHFFFAOYSA-N 1 0 413.543 4.349 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000486753920 901830444 /nfs/dbraw/zinc/83/04/44/901830444.db2.gz QVELKXWTNAWHMR-IAGOWNOFSA-N 1 0 405.564 4.433 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000505925247 914573394 /nfs/dbraw/zinc/57/33/94/914573394.db2.gz QFYSKWZTFOUJAR-SQNIBIBYSA-N 1 0 405.564 4.188 20 5 HIBDRO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000487655725 902277375 /nfs/dbraw/zinc/27/73/75/902277375.db2.gz OOBXZBCBOSNDLP-LJQANCHMSA-N 1 0 411.527 4.446 20 5 HIBDRO CC(C)(NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000488153603 902646347 /nfs/dbraw/zinc/64/63/47/902646347.db2.gz SZNQHFXARRTJNJ-UHFFFAOYSA-N 1 0 410.518 4.315 20 5 HIBDRO C[NH+](C)CCc1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000488701478 902952478 /nfs/dbraw/zinc/95/24/78/902952478.db2.gz HGAZJNONZPWERR-UHFFFAOYSA-N 1 0 410.396 4.039 20 5 HIBDRO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1c1ccccc1F ZINC000489109366 903201660 /nfs/dbraw/zinc/20/16/60/903201660.db2.gz YKTXMQSNMWAVOM-GOSISDBHSA-N 1 0 411.458 4.358 20 5 HIBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[NH+]2CCCC2)cc1 ZINC000489209232 903265415 /nfs/dbraw/zinc/26/54/15/903265415.db2.gz XOFXXKBDZDKAHC-HSZRJFAPSA-N 1 0 422.529 4.388 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489875131 903645375 /nfs/dbraw/zinc/64/53/75/903645375.db2.gz RJCVWCBXBOGBKB-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000489967472 903701622 /nfs/dbraw/zinc/70/16/22/903701622.db2.gz YPHJDADLJASHLM-LJQANCHMSA-N 1 0 419.909 4.377 20 5 HIBDRO 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 903721558 /nfs/dbraw/zinc/72/15/58/903721558.db2.gz OLRBUACCAGBVCM-FLFBIERCSA-N 1 0 417.550 4.287 20 5 HIBDRO O=C(c1ccoc1)N1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490123899 903780574 /nfs/dbraw/zinc/78/05/74/903780574.db2.gz GQKQHOSKFMMACQ-JOCHJYFZSA-N 1 0 405.454 4.172 20 5 HIBDRO Cc1ccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491016364 904370215 /nfs/dbraw/zinc/37/02/15/904370215.db2.gz CABBJRBBJVFWFV-HSZRJFAPSA-N 1 0 424.522 4.228 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)cs2)c1 ZINC000506127333 914814492 /nfs/dbraw/zinc/81/44/92/914814492.db2.gz ZFEGDCIGWAKFRT-INIZCTEOSA-N 1 0 420.498 4.141 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491425467 904591943 /nfs/dbraw/zinc/59/19/43/904591943.db2.gz ZQUFDFPUECMIOI-MBSDFSHPSA-N 1 0 422.529 4.179 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3nnc(C(C)C)s3)o2)c([N+](=O)[O-])c1 ZINC000492333493 904835882 /nfs/dbraw/zinc/83/58/82/904835882.db2.gz LCVQDRCSKWXEBU-UHFFFAOYSA-N 1 0 402.476 4.171 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938069 904960012 /nfs/dbraw/zinc/96/00/12/904960012.db2.gz SSXOTELQVFNWLN-RXVVDRJESA-N 1 0 410.518 4.270 20 5 HIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000493601414 905169971 /nfs/dbraw/zinc/16/99/71/905169971.db2.gz HDMJQSKLANLACJ-QZTJIDSGSA-N 1 0 414.449 4.075 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000493921361 905274247 /nfs/dbraw/zinc/27/42/47/905274247.db2.gz VHYWSEJTSWSMQC-UHFFFAOYSA-N 1 0 406.486 4.382 20 5 HIBDRO O=C1COc2ccccc2N1CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494005285 905345738 /nfs/dbraw/zinc/34/57/38/905345738.db2.gz XDQQMRUCXFFQFE-XMMPIXPASA-N 1 0 417.465 4.090 20 5 HIBDRO C[C@@H](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000494416104 905705194 /nfs/dbraw/zinc/70/51/94/905705194.db2.gz JFLIGPFRYOXKLS-SFHVURJKSA-N 1 0 410.518 4.179 20 5 HIBDRO Cn1cc(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494435561 905721278 /nfs/dbraw/zinc/72/12/78/905721278.db2.gz IWJYHWNZCKGULW-XMMPIXPASA-N 1 0 419.529 4.140 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494493582 905779807 /nfs/dbraw/zinc/77/98/07/905779807.db2.gz JEUMAANEDADRDW-IRWQIABSSA-N 1 0 403.866 4.003 20 5 HIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCOCC1 ZINC000494498456 905787871 /nfs/dbraw/zinc/78/78/71/905787871.db2.gz WDEQCJMMPGUVET-FOIQADDNSA-N 1 0 423.435 4.165 20 5 HIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCOCC1 ZINC000494498457 905788422 /nfs/dbraw/zinc/78/84/22/905788422.db2.gz WDEQCJMMPGUVET-MGPUTAFESA-N 1 0 423.435 4.165 20 5 HIBDRO COc1cc(C[NH2+]CCc2c[nH]c3cccc(C)c23)c([N+](=O)[O-])cc1OCC(F)F ZINC000494604175 905859285 /nfs/dbraw/zinc/85/92/85/905859285.db2.gz XGDCBQBRCPKQMV-UHFFFAOYSA-N 1 0 419.428 4.369 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494653033 905885565 /nfs/dbraw/zinc/88/55/65/905885565.db2.gz ZBDLMVMRRVSNBI-BFUOFWGJSA-N 1 0 416.465 4.178 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000495023408 906183164 /nfs/dbraw/zinc/18/31/64/906183164.db2.gz GVAVBYZQMFIUKD-WIYYLYMNSA-N 1 0 422.529 4.322 20 5 HIBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495104586 906242523 /nfs/dbraw/zinc/24/25/23/906242523.db2.gz YJNOTKOANHHQPN-QZTJIDSGSA-N 1 0 411.502 4.024 20 5 HIBDRO COC(=O)C(C)(C)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512562994 921239189 /nfs/dbraw/zinc/23/91/89/921239189.db2.gz BDYAYQXVRXZWPD-UHFFFAOYSA-N 1 0 422.485 4.126 20 5 HIBDRO O=C(NC1CC1)c1ccc(NCc2ccccc2C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000496880554 906772616 /nfs/dbraw/zinc/77/26/16/906772616.db2.gz GGNLDWJYTOMYAG-UHFFFAOYSA-N 1 0 422.529 4.475 20 5 HIBDRO COc1cccc(C2=CC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000512710492 921293614 /nfs/dbraw/zinc/29/36/14/921293614.db2.gz UDLOSIAJULMEFK-UHFFFAOYSA-N 1 0 404.470 4.293 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000498317321 907837244 /nfs/dbraw/zinc/83/72/44/907837244.db2.gz MNKMQRMOTZYYIK-SFHVURJKSA-N 1 0 420.513 4.240 20 5 HIBDRO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706350 908131341 /nfs/dbraw/zinc/13/13/41/908131341.db2.gz FYDMYFSQXNWOMZ-NQIIRXRSSA-N 1 0 422.529 4.179 20 5 HIBDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CCCCC2)cc1 ZINC000512903294 921394523 /nfs/dbraw/zinc/39/45/23/921394523.db2.gz XTAKFUJTQHHIFD-KRWDZBQOSA-N 1 0 411.502 4.422 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499499013 908817989 /nfs/dbraw/zinc/81/79/89/908817989.db2.gz WRROHMHRBRTALO-KRWDZBQOSA-N 1 0 413.543 4.198 20 5 HIBDRO Cc1cc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)on1 ZINC000512972437 921447780 /nfs/dbraw/zinc/44/77/80/921447780.db2.gz SLKANRVVDKGPEL-UHFFFAOYSA-N 1 0 403.442 4.076 20 5 HIBDRO COc1cccc(C2(F)CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000500141378 909618754 /nfs/dbraw/zinc/61/87/54/909618754.db2.gz SXHVZWPQOBASCB-UHFFFAOYSA-N 1 0 415.465 4.201 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000500704514 910033524 /nfs/dbraw/zinc/03/35/24/910033524.db2.gz YGEFPVSQFNHMRH-KDURUIRLSA-N 1 0 424.545 4.414 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000500844537 910118991 /nfs/dbraw/zinc/11/89/91/910118991.db2.gz SBCOHAUSMZAMCS-QAPCUYQASA-N 1 0 422.510 4.284 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513117239 921563669 /nfs/dbraw/zinc/56/36/69/921563669.db2.gz QVLUNLDBXOIZQF-OAQYLSRUSA-N 1 0 422.485 4.216 20 5 HIBDRO COC(=O)C[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1 ZINC000513129582 921573555 /nfs/dbraw/zinc/57/35/55/921573555.db2.gz ZOYFJTFEHWJYCU-IBGZPJMESA-N 1 0 421.291 4.234 20 5 HIBDRO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501960731 910947379 /nfs/dbraw/zinc/94/73/79/910947379.db2.gz YQCUTHLLVYVWBI-VQIMIIECSA-N 1 0 406.486 4.374 20 5 HIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502354429 911333197 /nfs/dbraw/zinc/33/31/97/911333197.db2.gz OKQZNCGOIAWOOX-NVXWUHKLSA-N 1 0 411.506 4.387 20 5 HIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502970099 911952309 /nfs/dbraw/zinc/95/23/09/911952309.db2.gz HKHCCJVKYQZNAQ-MRXNPFEDSA-N 1 0 413.474 4.091 20 5 HIBDRO COc1cc(OC)c(OC)cc1C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000506617193 915273453 /nfs/dbraw/zinc/27/34/53/915273453.db2.gz OQJGHFJLNDURGV-UHFFFAOYSA-N 1 0 418.490 4.430 20 5 HIBDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000507012303 915821335 /nfs/dbraw/zinc/82/13/35/915821335.db2.gz HWCNGJYMMYVPLN-UHFFFAOYSA-N 1 0 401.532 4.452 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507175574 915921105 /nfs/dbraw/zinc/92/11/05/915921105.db2.gz FADTVCFYUWQTIJ-UHFFFAOYSA-N 1 0 415.465 4.026 20 5 HIBDRO COc1cc(C[NH+]2CCC(n3c(C)ccc3C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000507315887 916076838 /nfs/dbraw/zinc/07/68/38/916076838.db2.gz KYEKNHSXOMFVGM-UHFFFAOYSA-N 1 0 409.433 4.460 20 5 HIBDRO CC(C)CC(=O)N1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000507903289 916768073 /nfs/dbraw/zinc/76/80/73/916768073.db2.gz MEMYWUNYDLPWIF-UHFFFAOYSA-N 1 0 424.545 4.489 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000507947639 916810932 /nfs/dbraw/zinc/81/09/32/916810932.db2.gz FFCCQLWECKDQML-SFHVURJKSA-N 1 0 418.497 4.157 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+](C)C ZINC000508851832 917604118 /nfs/dbraw/zinc/60/41/18/917604118.db2.gz IEHMMNLDLZYJJN-JTSKRJEESA-N 1 0 410.518 4.269 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+](C)C ZINC000508858038 917612065 /nfs/dbraw/zinc/61/20/65/917612065.db2.gz XSPWTGMEWIGYRG-JTSKRJEESA-N 1 0 410.518 4.269 20 5 HIBDRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000509355346 918019488 /nfs/dbraw/zinc/01/94/88/918019488.db2.gz CHQBWPCQJSEBLN-GIZXNFQBSA-N 1 0 400.866 4.007 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509480922 918126687 /nfs/dbraw/zinc/12/66/87/918126687.db2.gz QYXSQXJQRBSNFB-UHFFFAOYSA-N 1 0 415.877 4.375 20 5 HIBDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C1 ZINC000509531593 918179792 /nfs/dbraw/zinc/17/97/92/918179792.db2.gz FGJODDROYIYEEN-KRWDZBQOSA-N 1 0 411.502 4.325 20 5 HIBDRO C[C@H](NC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000509760711 918375336 /nfs/dbraw/zinc/37/53/36/918375336.db2.gz HGEQYOULUCZPEA-BJLQDIEVSA-N 1 0 410.518 4.256 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000509780673 918391984 /nfs/dbraw/zinc/39/19/84/918391984.db2.gz DVRVUZDKFZQMOS-ROUUACIJSA-N 1 0 404.555 4.271 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510239409 918777527 /nfs/dbraw/zinc/77/75/27/918777527.db2.gz BOTIXIDBRLOGQB-SJLPKXTDSA-N 1 0 406.486 4.107 20 5 HIBDRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)CC1 ZINC000510411995 918881835 /nfs/dbraw/zinc/88/18/35/918881835.db2.gz JGVGAGGQIKRADD-UHFFFAOYSA-N 1 0 411.502 4.325 20 5 HIBDRO COc1cc(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000510450340 918906737 /nfs/dbraw/zinc/90/67/37/918906737.db2.gz UCBUAKHDFPHIPS-FMKPAKJESA-N 1 0 413.465 4.042 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1SC ZINC000510539941 918985150 /nfs/dbraw/zinc/98/51/50/918985150.db2.gz OFTFCQZJZWOXAP-XOBRGWDASA-N 1 0 417.531 4.055 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000510550211 918995359 /nfs/dbraw/zinc/99/53/59/918995359.db2.gz SMBFXLPQBJEBRV-ACJLOTCBSA-N 1 0 420.307 4.087 20 5 HIBDRO C[C@H]1CN(C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CCO1 ZINC000510551522 918997135 /nfs/dbraw/zinc/99/71/35/918997135.db2.gz JAPDMYAHFYPIRF-HNNXBMFYSA-N 1 0 419.909 4.193 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510551378 918997267 /nfs/dbraw/zinc/99/72/67/918997267.db2.gz TZLJEXKLBMMRSM-YWZLYKJASA-N 1 0 401.532 4.436 20 5 HIBDRO C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510923340 919441158 /nfs/dbraw/zinc/44/11/58/919441158.db2.gz RRVRFQXHGLEOQD-GDBMZVCRSA-N 1 0 414.531 4.101 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)s1 ZINC000511747884 920426417 /nfs/dbraw/zinc/42/64/17/920426417.db2.gz CVHGULPUCHUKOP-UHFFFAOYSA-N 1 0 400.529 4.492 20 5 HIBDRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000511802087 920496293 /nfs/dbraw/zinc/49/62/93/920496293.db2.gz OPIXIPUPMBEEKN-FCHUYYIVSA-N 1 0 419.456 4.132 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000511852006 920574813 /nfs/dbraw/zinc/57/48/13/920574813.db2.gz NQZKLUXZTPTVAZ-UHFFFAOYSA-N 1 0 419.481 4.165 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2cccs2)CC1 ZINC000512055876 920825305 /nfs/dbraw/zinc/82/53/05/920825305.db2.gz HIELXCZDIKAWOV-GOSISDBHSA-N 1 0 412.515 4.341 20 5 HIBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000513643096 921967167 /nfs/dbraw/zinc/96/71/67/921967167.db2.gz MRCOVBYNVNZDTA-AWEZNQCLSA-N 1 0 403.866 4.141 20 5 HIBDRO O=c1ccccn1Cc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000513787353 922114222 /nfs/dbraw/zinc/11/42/22/922114222.db2.gz XNOFHSMKKYMFRL-GMAHTHKFSA-N 1 0 417.509 4.306 20 5 HIBDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000513834246 922161635 /nfs/dbraw/zinc/16/16/35/922161635.db2.gz QPGCWUYZONJPIC-UHFFFAOYSA-N 1 0 411.502 4.120 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000515336265 923057860 /nfs/dbraw/zinc/05/78/60/923057860.db2.gz ABFDEVVGHNJZPF-ZBFHGGJFSA-N 1 0 407.308 4.168 20 5 HIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccc1Cl ZINC000515606776 923212641 /nfs/dbraw/zinc/21/26/41/923212641.db2.gz QXTIJHVJEYZIPC-FQEVSTJZSA-N 1 0 416.909 4.199 20 5 HIBDRO C[C@@H](NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccc([N+](=O)[O-])c1 ZINC000516555511 923794184 /nfs/dbraw/zinc/79/41/84/923794184.db2.gz JXEVNKOUWPSEBU-GOSISDBHSA-N 1 0 418.497 4.336 20 5 HIBDRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000517783920 926834954 /nfs/dbraw/zinc/83/49/54/926834954.db2.gz BVAUQICYSBXTKD-UHFFFAOYSA-N 1 0 401.532 4.482 20 5 HIBDRO O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518249014 927107468 /nfs/dbraw/zinc/10/74/68/927107468.db2.gz HGIASCJMMISKQM-UHFFFAOYSA-N 1 0 419.372 4.359 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)s1 ZINC000518270073 927128454 /nfs/dbraw/zinc/12/84/54/927128454.db2.gz WQHGKTKHCGCNDQ-LJQANCHMSA-N 1 0 423.538 4.314 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2Cc3ccccc3O2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518273385 927131005 /nfs/dbraw/zinc/13/10/05/927131005.db2.gz TXSHRUXYVKXYHX-NRFANRHFSA-N 1 0 420.465 4.276 20 5 HIBDRO COC1CCN(C2(C[NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CCCC2)CC1 ZINC000518286708 927146089 /nfs/dbraw/zinc/14/60/89/927146089.db2.gz KHYZUWFMFOLQSX-UHFFFAOYSA-N 1 0 413.518 4.368 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518358640 927219442 /nfs/dbraw/zinc/21/94/42/927219442.db2.gz CGBYUNCHXPPTJJ-INIZCTEOSA-N 1 0 403.866 4.255 20 5 HIBDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000518838411 927537945 /nfs/dbraw/zinc/53/79/45/927537945.db2.gz SPJRYFMQMXKJLE-MRXNPFEDSA-N 1 0 408.882 4.258 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1SC ZINC000518868217 927577857 /nfs/dbraw/zinc/57/78/57/927577857.db2.gz WORVOOKPBWSVFR-INIZCTEOSA-N 1 0 421.563 4.100 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000518887959 927598432 /nfs/dbraw/zinc/59/84/32/927598432.db2.gz XKMZPYCZPWHAPP-SFHVURJKSA-N 1 0 409.408 4.427 20 5 HIBDRO [NH3+]CCN(Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000519569277 928020445 /nfs/dbraw/zinc/02/04/45/928020445.db2.gz WQTDKPIHALIYJZ-UHFFFAOYSA-N 1 0 424.888 4.466 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(OC)c(OC)c3)o2)c([N+](=O)[O-])c1 ZINC000520190059 928376963 /nfs/dbraw/zinc/37/69/63/928376963.db2.gz GITBAAXQPIGCBP-UHFFFAOYSA-N 1 0 412.442 4.213 20 5 HIBDRO C[NH+](C)CC(C)(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520189993 928377082 /nfs/dbraw/zinc/37/70/82/928377082.db2.gz DRQDKUBKZJXEAE-UHFFFAOYSA-N 1 0 410.312 4.295 20 5 HIBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N2CCOCC2)cc1 ZINC000520201830 928386071 /nfs/dbraw/zinc/38/60/71/928386071.db2.gz SJPVQZLSGTWMTA-HSZRJFAPSA-N 1 0 421.497 4.326 20 5 HIBDRO Cc1cccc([C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N2CCOCC2)c1 ZINC000520203324 928386259 /nfs/dbraw/zinc/38/62/59/928386259.db2.gz XWNZVTFULZRYJG-HSZRJFAPSA-N 1 0 421.497 4.326 20 5 HIBDRO C[C@H](C[C@H]1CCCO1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000520217649 928395324 /nfs/dbraw/zinc/39/53/24/928395324.db2.gz CCLMEFZLNNJZOJ-VGOFRKELSA-N 1 0 406.486 4.495 20 5 HIBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520330845 928494401 /nfs/dbraw/zinc/49/44/01/928494401.db2.gz JYXCHCWOWXOVJJ-HNNXBMFYSA-N 1 0 405.401 4.047 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000520686063 928734390 /nfs/dbraw/zinc/73/43/90/928734390.db2.gz YNKVBSDKSJCPIK-KRWDZBQOSA-N 1 0 419.485 4.407 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC000520955262 928888451 /nfs/dbraw/zinc/88/84/51/928888451.db2.gz ILWWEQOCOFCEJP-SFHVURJKSA-N 1 0 407.470 4.228 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000520963659 928891959 /nfs/dbraw/zinc/89/19/59/928891959.db2.gz WNTOQEXXENOTDI-QHCPKHFHSA-N 1 0 420.513 4.478 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000521249975 929082053 /nfs/dbraw/zinc/08/20/53/929082053.db2.gz IUCDOKBTUJLOJW-OAHLLOKOSA-N 1 0 417.893 4.293 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000521597450 929319076 /nfs/dbraw/zinc/31/90/76/929319076.db2.gz ZXULIMXNFGVTGG-UHFFFAOYSA-N 1 0 414.318 4.446 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)s1 ZINC000521937096 929575308 /nfs/dbraw/zinc/57/53/08/929575308.db2.gz RUIFSSOVDKBPQO-OAHLLOKOSA-N 1 0 412.515 4.040 20 5 HIBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000524555111 929684531 /nfs/dbraw/zinc/68/45/31/929684531.db2.gz YRMLRJUXFMONGS-LJQANCHMSA-N 1 0 422.312 4.397 20 5 HIBDRO COc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)cc1OC ZINC000524687049 929798841 /nfs/dbraw/zinc/79/88/41/929798841.db2.gz YNECVCISSDXZBP-UHFFFAOYSA-N 1 0 408.454 4.448 20 5 HIBDRO C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@@H+]1C ZINC000525195141 930083159 /nfs/dbraw/zinc/08/31/59/930083159.db2.gz XSHOQUNHGZOBKB-STQMWFEESA-N 1 0 408.296 4.190 20 5 HIBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000530852608 930840893 /nfs/dbraw/zinc/84/08/93/930840893.db2.gz GXPPRQVZEDBEAQ-DEOSSOPVSA-N 1 0 418.497 4.204 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)Cc2ccncc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530914319 930858009 /nfs/dbraw/zinc/85/80/09/930858009.db2.gz AETQAUQEZRDGCU-QGZVFWFLSA-N 1 0 407.470 4.298 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000531443260 931058674 /nfs/dbraw/zinc/05/86/74/931058674.db2.gz DCKIZDWUKRXIQE-STQMWFEESA-N 1 0 406.280 4.344 20 5 HIBDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000531630831 931133881 /nfs/dbraw/zinc/13/38/81/931133881.db2.gz SJURRKIXXPUNLZ-UHFFFAOYSA-N 1 0 418.335 4.420 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000531931435 931251072 /nfs/dbraw/zinc/25/10/72/931251072.db2.gz BWNAFBXDAYYFTC-JKSUJKDBSA-N 1 0 405.520 4.037 20 5 HIBDRO O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532701736 931594714 /nfs/dbraw/zinc/59/47/14/931594714.db2.gz RORBUCRJRGNGMG-LJQANCHMSA-N 1 0 418.291 4.427 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000533303488 931833547 /nfs/dbraw/zinc/83/35/47/931833547.db2.gz ZCAGUWAFRNRENG-HNNXBMFYSA-N 1 0 403.866 4.075 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000533367987 931850380 /nfs/dbraw/zinc/85/03/80/931850380.db2.gz GLDIWWHBBBKSQY-OAQYLSRUSA-N 1 0 401.438 4.202 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533420834 931863274 /nfs/dbraw/zinc/86/32/74/931863274.db2.gz PUVOGTJTNUFXJR-NFBKMPQASA-N 1 0 422.529 4.143 20 5 HIBDRO Cc1cncc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 ZINC000534059804 932238960 /nfs/dbraw/zinc/23/89/60/932238960.db2.gz WRJFSIVQVHYOSK-FQEVSTJZSA-N 1 0 410.861 4.421 20 5 HIBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C2)CC1 ZINC000534413099 932433186 /nfs/dbraw/zinc/43/31/86/932433186.db2.gz ZJICDSGBDVGSMN-NRFANRHFSA-N 1 0 422.529 4.011 20 5 HIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)nc2c1 ZINC000534951363 932854774 /nfs/dbraw/zinc/85/47/74/932854774.db2.gz BEONOWMLYZCFCT-INIZCTEOSA-N 1 0 418.457 4.209 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1Cc1ccccc1 ZINC000535397833 933115108 /nfs/dbraw/zinc/11/51/08/933115108.db2.gz PEHXEVHVZMVUOE-YLJYHZDGSA-N 1 0 420.513 4.130 20 5 HIBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000535554599 933239927 /nfs/dbraw/zinc/23/99/27/933239927.db2.gz YCONKUWPHVBLMP-LJQANCHMSA-N 1 0 406.486 4.204 20 5 HIBDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673414 933321652 /nfs/dbraw/zinc/32/16/52/933321652.db2.gz XTNUHYOUSCKNNN-HNAYVOBHSA-N 1 0 405.857 4.119 20 5 HIBDRO Cc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)ccc1OCC[NH+]1CCCC1 ZINC000535695825 933350538 /nfs/dbraw/zinc/35/05/38/933350538.db2.gz IGPPBEHTIDESLL-UHFFFAOYSA-N 1 0 408.458 4.111 20 5 HIBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000535803408 933399450 /nfs/dbraw/zinc/39/94/50/933399450.db2.gz NCJHAKQGESCNAK-QGZVFWFLSA-N 1 0 417.893 4.341 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC(F)(F)F)ccc1Oc1ccccc1Cl ZINC000536001167 933561143 /nfs/dbraw/zinc/56/11/43/933561143.db2.gz ARUYGMARRYQTNC-LBPRGKRZSA-N 1 0 404.772 4.443 20 5 HIBDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000537314852 933713221 /nfs/dbraw/zinc/71/32/21/933713221.db2.gz PJTBBPRCGAWYFH-UHFFFAOYSA-N 1 0 421.925 4.487 20 5 HIBDRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 ZINC000537615726 938334135 /nfs/dbraw/zinc/33/41/35/938334135.db2.gz NVCZYFMZVTXIHQ-NRFANRHFSA-N 1 0 415.877 4.143 20 5 HIBDRO Cc1nsc(N2CCC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000537618902 938335298 /nfs/dbraw/zinc/33/52/98/938335298.db2.gz PKEYGMKWKNEINZ-UHFFFAOYSA-N 1 0 415.544 4.196 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000537689136 938355446 /nfs/dbraw/zinc/35/54/46/938355446.db2.gz HBXCTDJFSQWEKJ-XXBNENTESA-N 1 0 418.497 4.448 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(C)C ZINC000538153188 938524413 /nfs/dbraw/zinc/52/44/13/938524413.db2.gz QEISCLWQSSFASG-MRXNPFEDSA-N 1 0 415.490 4.378 20 5 HIBDRO CC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2c(c1)OCCO2 ZINC000538179180 938540265 /nfs/dbraw/zinc/54/02/65/938540265.db2.gz LIHARVWKUJRNHF-SFHVURJKSA-N 1 0 409.442 4.304 20 5 HIBDRO CN(C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000538256666 938575726 /nfs/dbraw/zinc/57/57/26/938575726.db2.gz CLKOSJQZODWXFN-UHFFFAOYSA-N 1 0 407.392 4.245 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000538271558 938580373 /nfs/dbraw/zinc/58/03/73/938580373.db2.gz RIOGMERRHOXTNZ-FUHWJXTLSA-N 1 0 413.543 4.488 20 5 HIBDRO CCOc1ccc([C@H](C)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1[N+](=O)[O-] ZINC000538534150 938643424 /nfs/dbraw/zinc/64/34/24/938643424.db2.gz BLTJNHYESNEHPH-SFHVURJKSA-N 1 0 412.534 4.304 20 5 HIBDRO COc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716849 938688950 /nfs/dbraw/zinc/68/89/50/938688950.db2.gz GENYNJFXKYEMJO-UTKZUKDTSA-N 1 0 413.518 4.097 20 5 HIBDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538721504 938690912 /nfs/dbraw/zinc/69/09/12/938690912.db2.gz NZPNYMHWXFRANW-QGZVFWFLSA-N 1 0 404.438 4.011 20 5 HIBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000538722187 938691579 /nfs/dbraw/zinc/69/15/79/938691579.db2.gz AYXXOFNPOOLHMR-HNNXBMFYSA-N 1 0 403.866 4.128 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000539021315 938771566 /nfs/dbraw/zinc/77/15/66/938771566.db2.gz SICBFBUIRSOLKK-STQMWFEESA-N 1 0 406.280 4.425 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539091106 938801109 /nfs/dbraw/zinc/80/11/09/938801109.db2.gz LCXIWRNEEIBACF-KSZLIROESA-N 1 0 411.502 4.003 20 5 HIBDRO COc1cc(C[NH2+]CCc2sccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539104589 938803833 /nfs/dbraw/zinc/80/38/33/938803833.db2.gz VLNYTNVHJHLUPH-UHFFFAOYSA-N 1 0 404.410 4.247 20 5 HIBDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000539246544 938825259 /nfs/dbraw/zinc/82/52/59/938825259.db2.gz MZADZMMUPRMLON-HNNXBMFYSA-N 1 0 416.909 4.273 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539255347 938827760 /nfs/dbraw/zinc/82/77/60/938827760.db2.gz JQMSNRWPMLOZBV-WFASDCNBSA-N 1 0 423.416 4.273 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000539308643 938838362 /nfs/dbraw/zinc/83/83/62/938838362.db2.gz OCXLBYVPBFGVBG-FQEVSTJZSA-N 1 0 403.866 4.326 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000539339368 938844968 /nfs/dbraw/zinc/84/49/68/938844968.db2.gz UXRACLNYJRRAPQ-MRXNPFEDSA-N 1 0 420.469 4.345 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccccc2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000539381985 938852189 /nfs/dbraw/zinc/85/21/89/938852189.db2.gz YAFRSZSMHHTGEG-OAHLLOKOSA-N 1 0 409.408 4.145 20 5 HIBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000539818883 938942154 /nfs/dbraw/zinc/94/21/54/938942154.db2.gz FLBBLTLXURRTKY-VQTJNVASSA-N 1 0 420.893 4.260 20 5 HIBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539826269 938948358 /nfs/dbraw/zinc/94/83/58/938948358.db2.gz FDCABJIYMUTGFC-FQEVSTJZSA-N 1 0 414.502 4.431 20 5 HIBDRO COCCOC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000539831093 938950952 /nfs/dbraw/zinc/95/09/52/938950952.db2.gz PUCKWTPPZHFHOV-UHFFFAOYSA-N 1 0 404.438 4.154 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000539831336 938951001 /nfs/dbraw/zinc/95/10/01/938951001.db2.gz KNJJIXMECDLFTK-HOCLYGCPSA-N 1 0 404.772 4.396 20 5 HIBDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000539832560 938951999 /nfs/dbraw/zinc/95/19/99/938951999.db2.gz ULQPNDGTEQDXTI-OAHLLOKOSA-N 1 0 420.428 4.326 20 5 HIBDRO CC(C)(O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCOCC1 ZINC000539836718 938953323 /nfs/dbraw/zinc/95/33/23/938953323.db2.gz AWBHIPXKYNQCFE-UHFFFAOYSA-N 1 0 408.882 4.260 20 5 HIBDRO C[C@H](Nc1cccc(CC[NH+]2CCC(C)CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000539855056 938958935 /nfs/dbraw/zinc/95/89/35/938958935.db2.gz HFIBRDTWSMJCLO-SFHVURJKSA-N 1 0 410.518 4.308 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539989389 939030658 /nfs/dbraw/zinc/03/06/58/939030658.db2.gz AAZNDGPVEXRSFU-UHFFFAOYSA-N 1 0 410.518 4.294 20 5 HIBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000539999353 939033876 /nfs/dbraw/zinc/03/38/76/939033876.db2.gz PAQSYYOVAMAFFW-UHFFFAOYSA-N 1 0 408.458 4.115 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000540014309 939039674 /nfs/dbraw/zinc/03/96/74/939039674.db2.gz WQCACAKUKOMYMR-KRWDZBQOSA-N 1 0 402.539 4.199 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000540360307 939209350 /nfs/dbraw/zinc/20/93/50/939209350.db2.gz UOTUNXNBMYUGJG-CYBMUJFWSA-N 1 0 418.400 4.241 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540378100 939218264 /nfs/dbraw/zinc/21/82/64/939218264.db2.gz BXRJYVCGZFMOMV-KRWDZBQOSA-N 1 0 405.454 4.463 20 5 HIBDRO C[C@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540377742 939218319 /nfs/dbraw/zinc/21/83/19/939218319.db2.gz UMTNUXGQGIWPIG-FDDCHVKYSA-N 1 0 406.482 4.413 20 5 HIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(-n2cccn2)c1 ZINC000540386791 939223179 /nfs/dbraw/zinc/22/31/79/939223179.db2.gz ZMWMHPDGUSLPKG-MRXNPFEDSA-N 1 0 403.442 4.329 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000540403951 939236052 /nfs/dbraw/zinc/23/60/52/939236052.db2.gz LXWIRGUCGLFPGA-UHFFFAOYSA-N 1 0 419.481 4.485 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000540433454 939246894 /nfs/dbraw/zinc/24/68/94/939246894.db2.gz RIXARQAYLZEAEX-HXUWFJFHSA-N 1 0 403.454 4.448 20 5 HIBDRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540476075 939267141 /nfs/dbraw/zinc/26/71/41/939267141.db2.gz QIDRPZCIGPSYOG-UTKZUKDTSA-N 1 0 411.502 4.316 20 5 HIBDRO O=C(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Nc1ccccn1 ZINC000540807968 939379180 /nfs/dbraw/zinc/37/91/80/939379180.db2.gz LRYZTHWBYCGYHM-UHFFFAOYSA-N 1 0 400.822 4.022 20 5 HIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000540835202 939388797 /nfs/dbraw/zinc/38/87/97/939388797.db2.gz JXWYEOPWASUGFL-UHFFFAOYSA-N 1 0 410.392 4.063 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1OC ZINC000541056289 939444556 /nfs/dbraw/zinc/44/45/56/939444556.db2.gz HMMITGYICDSYBO-BZSNNMDCSA-N 1 0 406.523 4.277 20 5 HIBDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000541323035 939490846 /nfs/dbraw/zinc/49/08/46/939490846.db2.gz AIRZIIORGHPCNW-ZNZDAUKMSA-N 1 0 408.907 4.009 20 5 HIBDRO CC[N@H+](C)Cc1cccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000541397370 939504847 /nfs/dbraw/zinc/50/48/47/939504847.db2.gz CUBOPKCQHADWHO-UHFFFAOYSA-N 1 0 407.923 4.108 20 5 HIBDRO COc1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000541551196 939553044 /nfs/dbraw/zinc/55/30/44/939553044.db2.gz FKGJMWZKTANUAY-ZWKOTPCHSA-N 1 0 414.502 4.477 20 5 HIBDRO COc1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000541551193 939553178 /nfs/dbraw/zinc/55/31/78/939553178.db2.gz FKGJMWZKTANUAY-MSOLQXFVSA-N 1 0 414.502 4.477 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@@H+]1C ZINC000541584230 939560278 /nfs/dbraw/zinc/56/02/78/939560278.db2.gz ZWLREAZPRWPOMS-RDJZCZTQSA-N 1 0 405.564 4.432 20 5 HIBDRO C[NH+](C)Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1F ZINC000541586687 939560954 /nfs/dbraw/zinc/56/09/54/939560954.db2.gz PEQPBBOIXDMZPD-UHFFFAOYSA-N 1 0 414.359 4.136 20 5 HIBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541597446 939563481 /nfs/dbraw/zinc/56/34/81/939563481.db2.gz DHZLWONNUQWEIM-XLIONFOSSA-N 1 0 417.575 4.433 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541598666 939563520 /nfs/dbraw/zinc/56/35/20/939563520.db2.gz ZOVUQTBOFGPYCB-HNNXBMFYSA-N 1 0 407.511 4.270 20 5 HIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000541627856 939574747 /nfs/dbraw/zinc/57/47/47/939574747.db2.gz DDHOBMLKTSCQKQ-LLVKDONJSA-N 1 0 416.425 4.448 20 5 HIBDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541654307 939589449 /nfs/dbraw/zinc/58/94/49/939589449.db2.gz OBKPNKZTKAWHPJ-GFCCVEGCSA-N 1 0 414.462 4.455 20 5 HIBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541679640 939599059 /nfs/dbraw/zinc/59/90/59/939599059.db2.gz VMLGFNACVOYYNN-RTBURBONSA-N 1 0 403.548 4.234 20 5 HIBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)s1 ZINC000541738877 939617758 /nfs/dbraw/zinc/61/77/58/939617758.db2.gz UMGQXNGGNZVTBT-HNNXBMFYSA-N 1 0 416.524 4.448 20 5 HIBDRO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000542035500 939694621 /nfs/dbraw/zinc/69/46/21/939694621.db2.gz FUQOGVRBXDVKJV-QFBILLFUSA-N 1 0 412.490 4.293 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000542212910 939759049 /nfs/dbraw/zinc/75/90/49/939759049.db2.gz WEHKEQCTACSTPH-MRXNPFEDSA-N 1 0 422.934 4.245 20 5 HIBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542312493 939795921 /nfs/dbraw/zinc/79/59/21/939795921.db2.gz ZAKMGCDYYHENSA-XZOQPEGZSA-N 1 0 412.486 4.230 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]CCc2cccc(C(=O)NC)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542471427 939828658 /nfs/dbraw/zinc/82/86/58/939828658.db2.gz BPXHAJCNSQZCNA-QFIPXVFZSA-N 1 0 407.470 4.032 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000542483757 939831322 /nfs/dbraw/zinc/83/13/22/939831322.db2.gz GKZJSXZZPWFGHM-LBPRGKRZSA-N 1 0 402.800 4.208 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000542581498 939846057 /nfs/dbraw/zinc/84/60/57/939846057.db2.gz FYMNLEZDSQUXPE-LBPRGKRZSA-N 1 0 406.508 4.037 20 5 HIBDRO COc1cc(C[N@H+](C)CCc2ccncc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542692340 939854577 /nfs/dbraw/zinc/85/45/77/939854577.db2.gz HTIPGTAXNCDCRQ-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO COc1cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543225856 940001317 /nfs/dbraw/zinc/00/13/17/940001317.db2.gz LMVRJZPTCOVSAK-QZTJIDSGSA-N 1 0 414.502 4.477 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543392832 940049768 /nfs/dbraw/zinc/04/97/68/940049768.db2.gz CNQNRCPLXVMJQK-NSHDSACASA-N 1 0 419.425 4.237 20 5 HIBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000543394021 940050462 /nfs/dbraw/zinc/05/04/62/940050462.db2.gz MCJRTAKWHAVIBO-UHFFFAOYSA-N 1 0 415.465 4.405 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000543428384 940061112 /nfs/dbraw/zinc/06/11/12/940061112.db2.gz BGRQQHLUYAVTFC-IBGZPJMESA-N 1 0 410.449 4.327 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccs1 ZINC000543443966 940065056 /nfs/dbraw/zinc/06/50/56/940065056.db2.gz BDNCOISJBFKOKM-ZDUSSCGKSA-N 1 0 402.398 4.100 20 5 HIBDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543453964 940067854 /nfs/dbraw/zinc/06/78/54/940067854.db2.gz WLILBXQLZWCYPG-MOPGFXCFSA-N 1 0 412.511 4.278 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000543487615 940080658 /nfs/dbraw/zinc/08/06/58/940080658.db2.gz MYGBFOZZWCQFJN-GOSISDBHSA-N 1 0 403.482 4.368 20 5 HIBDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543498046 940085377 /nfs/dbraw/zinc/08/53/77/940085377.db2.gz SLVBSDWFYCBZKR-KKUMJFAQSA-N 1 0 412.408 4.135 20 5 HIBDRO COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c(C)c2c1 ZINC000543512146 940090584 /nfs/dbraw/zinc/09/05/84/940090584.db2.gz RIPYVUHIFOUPOJ-IFXJQAMLSA-N 1 0 409.442 4.114 20 5 HIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560976 940109478 /nfs/dbraw/zinc/10/94/78/940109478.db2.gz ROYHAHAFTDGCMB-RTBURBONSA-N 1 0 412.421 4.136 20 5 HIBDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000544118260 940331049 /nfs/dbraw/zinc/33/10/49/940331049.db2.gz SRHGKLPPJSWXLL-FOIQADDNSA-N 1 0 413.474 4.024 20 5 HIBDRO CC(C)([C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000544355256 940398804 /nfs/dbraw/zinc/39/88/04/940398804.db2.gz BOMRXQDCBHBQND-NRFANRHFSA-N 1 0 417.456 4.147 20 5 HIBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)c21 ZINC000544394722 940410750 /nfs/dbraw/zinc/41/07/50/940410750.db2.gz RAMSRVBISQCEHK-QUCCMNQESA-N 1 0 403.486 4.029 20 5 HIBDRO CC[C@H](c1ccc(F)cc1F)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544395380 940410844 /nfs/dbraw/zinc/41/08/44/940410844.db2.gz XBGNOMRGQMNJSP-GOSISDBHSA-N 1 0 413.428 4.090 20 5 HIBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000544471291 940446081 /nfs/dbraw/zinc/44/60/81/940446081.db2.gz NXUYDXFDZOQGNB-NSHDSACASA-N 1 0 422.308 4.028 20 5 HIBDRO C[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544557950 940478257 /nfs/dbraw/zinc/47/82/57/940478257.db2.gz KOCGBHLADBPDHA-SJORKVTESA-N 1 0 405.514 4.341 20 5 HIBDRO COc1cc(-c2noc(/C(C)=C\c3ccc([N+](=O)[O-])cc3)n2)ccc1OCC[NH+](C)C ZINC000545572828 940575373 /nfs/dbraw/zinc/57/53/73/940575373.db2.gz LTJLRGCWEFOOKK-SQFISAMPSA-N 1 0 424.457 4.154 20 5 HIBDRO Cc1c(Cc2noc(-c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cccc1[N+](=O)[O-] ZINC000545781370 940588848 /nfs/dbraw/zinc/58/88/48/940588848.db2.gz QVKAIMNKIUAQAK-IYBDPMFKSA-N 1 0 422.485 4.153 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000546534544 940846362 /nfs/dbraw/zinc/84/63/62/940846362.db2.gz VTBCNTYQUFLBLU-SJLPKXTDSA-N 1 0 413.493 4.181 20 5 HIBDRO O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)n2)c1 ZINC000546952833 940925342 /nfs/dbraw/zinc/92/53/42/940925342.db2.gz LEZXQKXJCAWWJG-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO CC[N@H+](Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1)C(C)C ZINC000547172224 941020276 /nfs/dbraw/zinc/02/02/76/941020276.db2.gz KLEYOHFJMNKCSQ-UHFFFAOYSA-N 1 0 410.474 4.475 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547245182 941042241 /nfs/dbraw/zinc/04/22/41/941042241.db2.gz GTYGYDDCYQMRPB-HRAATJIYSA-N 1 0 413.493 4.038 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547289472 941052881 /nfs/dbraw/zinc/05/28/81/941052881.db2.gz PNNNRRZNAWCWBC-UHFFFAOYSA-N 1 0 401.482 4.168 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000547968572 941081153 /nfs/dbraw/zinc/08/11/53/941081153.db2.gz KGZLWOIUCYOPBU-UHFFFAOYSA-N 1 0 420.391 4.027 20 5 HIBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549338035 941181025 /nfs/dbraw/zinc/18/10/25/941181025.db2.gz NOADCBJRKWYLJP-CYBMUJFWSA-N 1 0 405.380 4.387 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000551259525 941437387 /nfs/dbraw/zinc/43/73/87/941437387.db2.gz QICRHWUHLMFDIX-KGLIPLIRSA-N 1 0 424.339 4.049 20 5 HIBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000551271246 941440806 /nfs/dbraw/zinc/44/08/06/941440806.db2.gz MSWAMLIMMKUYPB-OXJNMPFZSA-N 1 0 422.909 4.288 20 5 HIBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000551563374 941502079 /nfs/dbraw/zinc/50/20/79/941502079.db2.gz GGYFBTVWLQICHN-CDXJDZJCSA-N 1 0 416.543 4.450 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC3)cc2[N+](=O)[O-])cc1 ZINC000551620553 941514210 /nfs/dbraw/zinc/51/42/10/941514210.db2.gz XXWBEZYEAQUCNQ-XMSQKQJNSA-N 1 0 411.527 4.201 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000551822266 941553610 /nfs/dbraw/zinc/55/36/10/941553610.db2.gz BBJPDPCRBWKZJM-OTRAAIJSSA-N 1 0 422.529 4.276 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000552146385 941593646 /nfs/dbraw/zinc/59/36/46/941593646.db2.gz CYVMVZZWSZJUGC-GOSISDBHSA-N 1 0 406.486 4.042 20 5 HIBDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000553415421 941881129 /nfs/dbraw/zinc/88/11/29/941881129.db2.gz ITBYDHGYWDQHSA-UHFFFAOYSA-N 1 0 409.471 4.437 20 5 HIBDRO COc1ccc([C@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1OC ZINC000554292448 942093618 /nfs/dbraw/zinc/09/36/18/942093618.db2.gz WKJYQQSJVYSCDA-HNNXBMFYSA-N 1 0 411.458 4.469 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)n1 ZINC000554374635 942117795 /nfs/dbraw/zinc/11/77/95/942117795.db2.gz VPTSQTIGGZEKIG-LSDHHAIUSA-N 1 0 404.339 4.362 20 5 HIBDRO COc1ccc(NC(=O)CCN2CCc3c(ccc(Cl)c3Cl)C2)c([N+](=O)[O-])c1 ZINC000554915744 942317741 /nfs/dbraw/zinc/31/77/41/942317741.db2.gz BUHZXDHABYJJCZ-UHFFFAOYSA-N 1 0 424.284 4.297 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000555075069 942378011 /nfs/dbraw/zinc/37/80/11/942378011.db2.gz LLAOXXYSTOWOLB-LJQANCHMSA-N 1 0 423.391 4.302 20 5 HIBDRO CCC1([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000556470054 942877436 /nfs/dbraw/zinc/87/74/36/942877436.db2.gz SSZYFJRKDZRHAE-UHFFFAOYSA-N 1 0 406.486 4.496 20 5 HIBDRO Cc1ccc([C@@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000556868846 942944479 /nfs/dbraw/zinc/94/44/79/942944479.db2.gz XAVYAVUIIRLIER-DHIUTWEWSA-N 1 0 419.529 4.153 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000556873199 942946692 /nfs/dbraw/zinc/94/66/92/942946692.db2.gz UXAMAVIPDICFHV-UTKZUKDTSA-N 1 0 407.518 4.137 20 5 HIBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000557039057 943001607 /nfs/dbraw/zinc/00/16/07/943001607.db2.gz UQASVWHTPXQKGL-SCLBCKFNSA-N 1 0 407.392 4.006 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000558034317 943362291 /nfs/dbraw/zinc/36/22/91/943362291.db2.gz WBJQJTUEBXUETQ-JOCHJYFZSA-N 1 0 411.527 4.222 20 5 HIBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000558305378 943495804 /nfs/dbraw/zinc/49/58/04/943495804.db2.gz YHDQKWBJRUJFGO-UHFFFAOYSA-N 1 0 418.497 4.204 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000558830993 943683452 /nfs/dbraw/zinc/68/34/52/943683452.db2.gz VTHAVPWCIDAFIO-UHFFFAOYSA-N 1 0 413.474 4.111 20 5 HIBDRO CCc1noc(C)c1C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000559313580 943894996 /nfs/dbraw/zinc/89/49/96/943894996.db2.gz YOJQDCFYTHNQEN-UHFFFAOYSA-N 1 0 411.458 4.331 20 5 HIBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)CC1 ZINC000559349703 943903724 /nfs/dbraw/zinc/90/37/24/943903724.db2.gz KHDILBRSRGXBMD-OAHLLOKOSA-N 1 0 413.440 4.198 20 5 HIBDRO COc1ccc([C@H](C[NH+](C)C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000560072104 944149342 /nfs/dbraw/zinc/14/93/42/944149342.db2.gz XAZWQIPHTVCNSX-FQEVSTJZSA-N 1 0 412.515 4.119 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000561125866 944467112 /nfs/dbraw/zinc/46/71/12/944467112.db2.gz DTPPSFVIDFMISX-LSDHHAIUSA-N 1 0 402.520 4.456 20 5 HIBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000561283024 944539447 /nfs/dbraw/zinc/53/94/47/944539447.db2.gz NAOGVNCBJBSLQM-AEFFLSMTSA-N 1 0 411.527 4.445 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000561396531 944578305 /nfs/dbraw/zinc/57/83/05/944578305.db2.gz OKCLMDOSNZUAQJ-QHCPKHFHSA-N 1 0 410.445 4.421 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000561755285 944780565 /nfs/dbraw/zinc/78/05/65/944780565.db2.gz WQZGZNSIZGUWQQ-SJLPKXTDSA-N 1 0 405.564 4.432 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000561755283 944781049 /nfs/dbraw/zinc/78/10/49/944781049.db2.gz WQZGZNSIZGUWQQ-AEFFLSMTSA-N 1 0 405.564 4.432 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000561755284 944781163 /nfs/dbraw/zinc/78/11/63/944781163.db2.gz WQZGZNSIZGUWQQ-FUHWJXTLSA-N 1 0 405.564 4.432 20 5 HIBDRO C[NH+](C)C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000561757583 944782017 /nfs/dbraw/zinc/78/20/17/944782017.db2.gz LTPAKJAFNARBFH-LJQANCHMSA-N 1 0 400.479 4.250 20 5 HIBDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000564760157 945752444 /nfs/dbraw/zinc/75/24/44/945752444.db2.gz MBUBSVUHIGPPNU-QHCPKHFHSA-N 1 0 419.481 4.140 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000566808959 946102663 /nfs/dbraw/zinc/10/26/63/946102663.db2.gz JAHFDDWMKKSTRS-NRFANRHFSA-N 1 0 411.502 4.024 20 5 HIBDRO C[N@H+](CCCn1ccnc1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000567547412 946372298 /nfs/dbraw/zinc/37/22/98/946372298.db2.gz RCGUHMDYTJYEBM-UHFFFAOYSA-N 1 0 419.279 4.336 20 5 HIBDRO C[C@@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000568699584 946665403 /nfs/dbraw/zinc/66/54/03/946665403.db2.gz MTMHGSYGNSWYAJ-ACJLOTCBSA-N 1 0 409.408 4.136 20 5 HIBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000569291453 946852704 /nfs/dbraw/zinc/85/27/04/946852704.db2.gz DKPULXORURRUMD-STQMWFEESA-N 1 0 409.280 4.210 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)s2)cc1 ZINC000570485284 947264901 /nfs/dbraw/zinc/26/49/01/947264901.db2.gz VIUQLGRYYGVEAA-XJKSGUPXSA-N 1 0 400.422 4.316 20 5 HIBDRO CCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000571336551 947603736 /nfs/dbraw/zinc/60/37/36/947603736.db2.gz JDKMBWPKKRXZMB-ZIAGYGMSSA-N 1 0 403.504 4.393 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000571932434 947814615 /nfs/dbraw/zinc/81/46/15/947814615.db2.gz XOMALCIMVYWEMW-GDBMZVCRSA-N 1 0 409.408 4.323 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000574460572 948448714 /nfs/dbraw/zinc/44/87/14/948448714.db2.gz XXGSWMJWPYPBHD-QHCPKHFHSA-N 1 0 405.454 4.262 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1 ZINC001164629059 719096445 /nfs/dbraw/zinc/09/64/45/719096445.db2.gz QPUUKHWHGQFKBL-OFNKIYASSA-N 1 0 415.497 4.153 20 5 HIBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ccc21 ZINC001164722523 720399027 /nfs/dbraw/zinc/39/90/27/720399027.db2.gz DDIFCVWQTLNANX-RBUKOAKNSA-N 1 0 409.877 4.045 20 5 HIBDRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc2ccc([N+](=O)[O-])cc12 ZINC001164857934 720941938 /nfs/dbraw/zinc/94/19/38/720941938.db2.gz IGXRYXJPLHMBEJ-MRXNPFEDSA-N 1 0 408.506 4.069 20 5 HIBDRO COc1cnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c([N+](=O)[O-])c1 ZINC001164759203 721044260 /nfs/dbraw/zinc/04/42/60/721044260.db2.gz KTTIZJUSXJUVQG-UHFFFAOYSA-N 1 0 410.518 4.189 20 5 HIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164792232 721494269 /nfs/dbraw/zinc/49/42/69/721494269.db2.gz KXWQTMBCDFNHFM-UHFFFAOYSA-N 1 0 417.513 4.419 20 5 HIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164794677 721503570 /nfs/dbraw/zinc/50/35/70/721503570.db2.gz CPLUGZCNHTXMSJ-UHFFFAOYSA-N 1 0 417.513 4.419 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436011110 861303605 /nfs/dbraw/zinc/30/36/05/861303605.db2.gz NURCUXQWIJUQOQ-HDICACEKSA-N 1 0 405.542 4.169 20 5 HIBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436099105 861382787 /nfs/dbraw/zinc/38/27/87/861382787.db2.gz LHXMLSYTUSHHNQ-INIZCTEOSA-N 1 0 409.505 4.062 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436110803 861395491 /nfs/dbraw/zinc/39/54/91/861395491.db2.gz NPDZIMCNPBRAQB-INIZCTEOSA-N 1 0 409.505 4.205 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000006330305 845191109 /nfs/dbraw/zinc/19/11/09/845191109.db2.gz AEULKFJEJWEVOH-HXUWFJFHSA-N 1 0 417.893 4.214 20 5 HIBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436245082 861553746 /nfs/dbraw/zinc/55/37/46/861553746.db2.gz LMCIEMHIFYCOGL-UHFFFAOYSA-N 1 0 417.484 4.024 20 5 HIBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)CC1 ZINC000436251602 861562608 /nfs/dbraw/zinc/56/26/08/861562608.db2.gz FNPRKLBNJMUAHO-LJQANCHMSA-N 1 0 417.553 4.265 20 5 HIBDRO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015501228 846053951 /nfs/dbraw/zinc/05/39/51/846053951.db2.gz MCCZJIMTMGONSL-OAQYLSRUSA-N 1 0 408.433 4.115 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000023994721 846769397 /nfs/dbraw/zinc/76/93/97/846769397.db2.gz ZKIRNFARLOZFSD-VXGBXAGGSA-N 1 0 422.279 4.044 20 5 HIBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000436414642 861767922 /nfs/dbraw/zinc/76/79/22/861767922.db2.gz JWQKRWUVMMDBLK-UHFFFAOYSA-N 1 0 421.447 4.316 20 5 HIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000030492780 847721794 /nfs/dbraw/zinc/72/17/94/847721794.db2.gz FTBIHGJXVFNAJD-HZPDHXFCSA-N 1 0 415.490 4.377 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1Cl ZINC000032316868 848003082 /nfs/dbraw/zinc/00/30/82/848003082.db2.gz AZCSFLIOKZXLJK-SFHVURJKSA-N 1 0 405.882 4.070 20 5 HIBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000032730214 848069653 /nfs/dbraw/zinc/06/96/53/848069653.db2.gz TZXDWIYOKZYVBE-ROUUACIJSA-N 1 0 410.518 4.200 20 5 HIBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000039564073 848190584 /nfs/dbraw/zinc/19/05/84/848190584.db2.gz PAAGBNDVBZOMAY-GOSISDBHSA-N 1 0 416.566 4.024 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCc1ccccn1)c1ccccc1 ZINC000043305263 848406271 /nfs/dbraw/zinc/40/62/71/848406271.db2.gz NYAAFDPWBDYTAF-HXUWFJFHSA-N 1 0 410.861 4.155 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000043301764 848406721 /nfs/dbraw/zinc/40/67/21/848406721.db2.gz ZABTUUIMARDGDA-LSDHHAIUSA-N 1 0 401.463 4.070 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000045757905 848724069 /nfs/dbraw/zinc/72/40/69/848724069.db2.gz IDCRWRGPEMWCQA-UHFFFAOYSA-N 1 0 402.882 4.343 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000045779072 848726809 /nfs/dbraw/zinc/72/68/09/848726809.db2.gz MTJAGRDNOIMJNC-GOSISDBHSA-N 1 0 410.518 4.311 20 5 HIBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1cccc(OC)c1 ZINC000052706043 849616312 /nfs/dbraw/zinc/61/63/12/849616312.db2.gz LZAAYXPHVGZEIU-OAHLLOKOSA-N 1 0 401.463 4.024 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000052847956 849633349 /nfs/dbraw/zinc/63/33/49/849633349.db2.gz VEGAFAXDXBVPQD-UHFFFAOYSA-N 1 0 412.309 4.188 20 5 HIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053019756 849656227 /nfs/dbraw/zinc/65/62/27/849656227.db2.gz AGMLDAVQPVSDRA-CYBMUJFWSA-N 1 0 403.866 4.366 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053112583 849668576 /nfs/dbraw/zinc/66/85/76/849668576.db2.gz OJOPWRONOLKJCZ-UHFFFAOYSA-N 1 0 411.380 4.083 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000053278768 849689139 /nfs/dbraw/zinc/68/91/39/849689139.db2.gz JOYFLELPYLYIAZ-SFHVURJKSA-N 1 0 403.866 4.423 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000053417327 849706339 /nfs/dbraw/zinc/70/63/39/849706339.db2.gz YNJPQMWYMZCWDV-BGYRXZFFSA-N 1 0 419.569 4.029 20 5 HIBDRO C[C@@H](Nc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053477311 849718307 /nfs/dbraw/zinc/71/83/07/849718307.db2.gz VDIMLIQIEDLBHN-MRXNPFEDSA-N 1 0 419.485 4.477 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000055151914 849978212 /nfs/dbraw/zinc/97/82/12/849978212.db2.gz RGFJAMHLFMWYSS-HUUCEWRRSA-N 1 0 401.463 4.068 20 5 HIBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000058296110 850795158 /nfs/dbraw/zinc/79/51/58/850795158.db2.gz RQXSZNCQEDWBRU-IBGZPJMESA-N 1 0 416.566 4.216 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000058519581 850844278 /nfs/dbraw/zinc/84/42/78/850844278.db2.gz BHVUKMKKLVSUPY-MRXNPFEDSA-N 1 0 412.490 4.300 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000060269515 851056676 /nfs/dbraw/zinc/05/66/76/851056676.db2.gz YTIIMWJMOOOBEK-HXUWFJFHSA-N 1 0 415.465 4.052 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000060371676 851080864 /nfs/dbraw/zinc/08/08/64/851080864.db2.gz FQIGIQCSGGOAKX-SFHVURJKSA-N 1 0 411.355 4.127 20 5 HIBDRO Cc1ccc([C@@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000060862669 851234536 /nfs/dbraw/zinc/23/45/36/851234536.db2.gz KJKWJSXFJLINPA-JOCHJYFZSA-N 1 0 410.518 4.290 20 5 HIBDRO CC1CCN(c2ccc(C(=O)N(C)CC[N@H+](C)C3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000063771958 851759585 /nfs/dbraw/zinc/75/95/85/851759585.db2.gz PRBGBBWCXNVOCU-UHFFFAOYSA-N 1 0 416.566 4.168 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000437110384 862298038 /nfs/dbraw/zinc/29/80/38/862298038.db2.gz VTNCMGACASTILK-QWRGUYRKSA-N 1 0 412.309 4.487 20 5 HIBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000064918964 852021648 /nfs/dbraw/zinc/02/16/48/852021648.db2.gz JQSMFIKDGVAOBQ-GOSISDBHSA-N 1 0 420.494 4.343 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000064934743 852025248 /nfs/dbraw/zinc/02/52/48/852025248.db2.gz SBCOHAUSMZAMCS-YJBOKZPZSA-N 1 0 422.510 4.284 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437147984 862339625 /nfs/dbraw/zinc/33/96/25/862339625.db2.gz GPBQKKPBFVJCSK-UHFFFAOYSA-N 1 0 407.392 4.008 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)C[C@H](C)O1 ZINC000071952670 852443927 /nfs/dbraw/zinc/44/39/27/852443927.db2.gz XFKOAZHYGRMTNE-IRXDYDNUSA-N 1 0 406.486 4.364 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000096956041 852563108 /nfs/dbraw/zinc/56/31/08/852563108.db2.gz WNXLLSHCDGMHNL-NEPJUHHUSA-N 1 0 422.279 4.044 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000107553959 852775949 /nfs/dbraw/zinc/77/59/49/852775949.db2.gz MQRJYVQJMOCAGQ-GOSISDBHSA-N 1 0 410.518 4.088 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000109304522 852949987 /nfs/dbraw/zinc/94/99/87/852949987.db2.gz QENCPCOBEUWKSG-UHFFFAOYSA-N 1 0 421.501 4.013 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000110305053 853085390 /nfs/dbraw/zinc/08/53/90/853085390.db2.gz IOIOJNDRNIGPNS-UHFFFAOYSA-N 1 0 422.485 4.451 20 5 HIBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000110864623 853158352 /nfs/dbraw/zinc/15/83/52/853158352.db2.gz YCURCGJSDMRHCB-UHFFFAOYSA-N 1 0 410.518 4.188 20 5 HIBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000112659174 853237715 /nfs/dbraw/zinc/23/77/15/853237715.db2.gz ATLKPUDTJIGJOQ-DLBZAZTESA-N 1 0 422.957 4.019 20 5 HIBDRO CCNc1ccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc1[N+](=O)[O-] ZINC000116656699 853323200 /nfs/dbraw/zinc/32/32/00/853323200.db2.gz QIBYIBAGJFXQKM-UHFFFAOYSA-N 1 0 414.531 4.136 20 5 HIBDRO COc1cccc(NC(=O)[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000140105552 853434255 /nfs/dbraw/zinc/43/42/55/853434255.db2.gz MJHGTJRSGXVLML-QFIPXVFZSA-N 1 0 405.454 4.116 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000140349737 853443122 /nfs/dbraw/zinc/44/31/22/853443122.db2.gz BARHCECFPXMXDZ-VXGBXAGGSA-N 1 0 411.380 4.300 20 5 HIBDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000150214146 853640818 /nfs/dbraw/zinc/64/08/18/853640818.db2.gz DBSJJZGHAPAKNH-FQEVSTJZSA-N 1 0 413.474 4.086 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000216264694 853848809 /nfs/dbraw/zinc/84/88/09/853848809.db2.gz RSKREYYZJWZMRR-JKSUJKDBSA-N 1 0 405.520 4.037 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000216528274 853855033 /nfs/dbraw/zinc/85/50/33/853855033.db2.gz MOSNSZYTDHMKPI-NRFANRHFSA-N 1 0 422.485 4.042 20 5 HIBDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)oc21 ZINC000216756730 853858435 /nfs/dbraw/zinc/85/84/35/853858435.db2.gz RVSSHEMQDQFMNG-ZDUSSCGKSA-N 1 0 413.430 4.038 20 5 HIBDRO CCN(CC)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000236851599 853929136 /nfs/dbraw/zinc/92/91/36/853929136.db2.gz PRCPVJVNZFIDMX-QFIPXVFZSA-N 1 0 407.518 4.168 20 5 HIBDRO CC[N@@H+]1CCC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236933429 853939052 /nfs/dbraw/zinc/93/90/52/853939052.db2.gz IVTLRSGNTDNUEL-CQSZACIVSA-N 1 0 422.323 4.439 20 5 HIBDRO CNC(=O)c1cccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 ZINC000237052438 853957995 /nfs/dbraw/zinc/95/79/95/853957995.db2.gz KLIYQSYCUBXTPB-UHFFFAOYSA-N 1 0 409.417 4.176 20 5 HIBDRO CCc1noc(-c2ccc(CC[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 ZINC000237077310 853960867 /nfs/dbraw/zinc/96/08/67/853960867.db2.gz KGTVWYSFSMQGBM-UHFFFAOYSA-N 1 0 418.400 4.141 20 5 HIBDRO COC(=O)COc1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000237193939 853979575 /nfs/dbraw/zinc/97/95/75/853979575.db2.gz QACZMCNWFLCTFI-UHFFFAOYSA-N 1 0 412.467 4.165 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc(C)nc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237196104 853979595 /nfs/dbraw/zinc/97/95/95/853979595.db2.gz OBVMSSXIHDFYKV-UHFFFAOYSA-N 1 0 407.470 4.218 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000237262305 853993253 /nfs/dbraw/zinc/99/32/53/853993253.db2.gz ISWAQAJSXJDGNS-UHFFFAOYSA-N 1 0 409.417 4.285 20 5 HIBDRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2c3ccccc3cc3ccccc32)cc1 ZINC000237333636 854008804 /nfs/dbraw/zinc/00/88/04/854008804.db2.gz AFELLQBZMKXDSB-UHFFFAOYSA-N 1 0 404.535 4.332 20 5 HIBDRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237346146 854010888 /nfs/dbraw/zinc/01/08/88/854010888.db2.gz DSXGOQMKOIAZCI-UHFFFAOYSA-N 1 0 416.524 4.158 20 5 HIBDRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000237421334 854029937 /nfs/dbraw/zinc/02/99/37/854029937.db2.gz JSZBYAXNVOSRNH-KRWDZBQOSA-N 1 0 405.502 4.020 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H](C(=O)NC(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000237440589 854034042 /nfs/dbraw/zinc/03/40/42/854034042.db2.gz YSOOTHJPHBNCSC-HOTGVXAUSA-N 1 0 415.490 4.036 20 5 HIBDRO COc1ccc2cc(C[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000237468811 854039289 /nfs/dbraw/zinc/03/92/89/854039289.db2.gz CGBURCGBCFYYET-UHFFFAOYSA-N 1 0 402.454 4.447 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000237475049 854041377 /nfs/dbraw/zinc/04/13/77/854041377.db2.gz JTAJTTRCHBJSDN-UHFFFAOYSA-N 1 0 409.417 4.285 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCC[C@H]1C ZINC000237655962 854068979 /nfs/dbraw/zinc/06/89/79/854068979.db2.gz DJLRWXDSVGMZAV-ZIAGYGMSSA-N 1 0 405.882 4.387 20 5 HIBDRO Cn1cc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237761128 854090689 /nfs/dbraw/zinc/09/06/89/854090689.db2.gz CBWNAQVUFRQGMB-UHFFFAOYSA-N 1 0 409.877 4.462 20 5 HIBDRO Cn1cc(C[NH2+]CCc2csc(-c3ccccc3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237762684 854090878 /nfs/dbraw/zinc/09/08/78/854090878.db2.gz OMXUFDHVKDZIBM-UHFFFAOYSA-N 1 0 419.510 4.451 20 5 HIBDRO O=C(CCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NC1CC1 ZINC000237772805 854093954 /nfs/dbraw/zinc/09/39/54/854093954.db2.gz OOIIWWSZAAFJOO-UHFFFAOYSA-N 1 0 403.866 4.189 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCC[C@@H]1C ZINC000237781199 854095951 /nfs/dbraw/zinc/09/59/51/854095951.db2.gz DJLRWXDSVGMZAV-UONOGXRCSA-N 1 0 405.882 4.387 20 5 HIBDRO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000237914302 854118810 /nfs/dbraw/zinc/11/88/10/854118810.db2.gz LZMVVLMSVDSVHB-UHFFFAOYSA-N 1 0 411.483 4.311 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCC[N@@H+]3Cc3ccccc3)cs2)c1 ZINC000238007290 854132586 /nfs/dbraw/zinc/13/25/86/854132586.db2.gz LBVDHDRGRXDEOA-NRFANRHFSA-N 1 0 408.527 4.473 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000248180574 854183483 /nfs/dbraw/zinc/18/34/83/854183483.db2.gz DHJAJRHFFQNEII-IBGZPJMESA-N 1 0 405.882 4.070 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000301292025 854349833 /nfs/dbraw/zinc/34/98/33/854349833.db2.gz PUJJSBMNOVRQBF-JTQLQIEISA-N 1 0 413.425 4.158 20 5 HIBDRO O=C(c1ccccc1)c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000301321807 854358101 /nfs/dbraw/zinc/35/81/01/854358101.db2.gz HJCASYICRSOGOD-UHFFFAOYSA-N 1 0 423.513 4.273 20 5 HIBDRO CC(C)NC(=O)c1ccc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301321295 854358326 /nfs/dbraw/zinc/35/83/26/854358326.db2.gz SWBHYHNQZLWGPX-QGZVFWFLSA-N 1 0 410.518 4.371 20 5 HIBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000301383672 854377868 /nfs/dbraw/zinc/37/78/68/854377868.db2.gz VUCALDJOBRXEGY-UHFFFAOYSA-N 1 0 402.495 4.008 20 5 HIBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000301509157 854409448 /nfs/dbraw/zinc/40/94/48/854409448.db2.gz ASASWUMNQBYCSW-UKRRQHHQSA-N 1 0 405.296 4.217 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301534359 854415314 /nfs/dbraw/zinc/41/53/14/854415314.db2.gz LDWFVPFOELIBSY-PXNSSMCTSA-N 1 0 410.518 4.198 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301692938 854446098 /nfs/dbraw/zinc/44/60/98/854446098.db2.gz ONGCPZCMBLWIRG-IAQYHMDHSA-N 1 0 411.325 4.309 20 5 HIBDRO Cc1cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302204995 854549535 /nfs/dbraw/zinc/54/95/35/854549535.db2.gz WNTFTDMZNSUIRE-MRXNPFEDSA-N 1 0 406.490 4.153 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c(Cl)c1 ZINC000302275792 854559304 /nfs/dbraw/zinc/55/93/04/854559304.db2.gz INUMXZLMOVVREQ-SECBINFHSA-N 1 0 414.318 4.446 20 5 HIBDRO CSc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000302792548 854634712 /nfs/dbraw/zinc/63/47/12/854634712.db2.gz LSMYMRBCGBCRCY-UHFFFAOYSA-N 1 0 419.934 4.365 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000303439136 854938353 /nfs/dbraw/zinc/93/83/53/854938353.db2.gz FFOBOJKORDLNER-UHFFFAOYSA-N 1 0 411.502 4.161 20 5 HIBDRO O=C(C[N@@H+](Cc1ccccc1)CC1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000303443712 854942588 /nfs/dbraw/zinc/94/25/88/854942588.db2.gz GHDZXJKMKCKYJV-UHFFFAOYSA-N 1 0 417.893 4.116 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303539582 855024537 /nfs/dbraw/zinc/02/45/37/855024537.db2.gz HPPAFGWVMVQIJK-INIZCTEOSA-N 1 0 422.407 4.318 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303737920 855162904 /nfs/dbraw/zinc/16/29/04/855162904.db2.gz HILGPDNOZIEOMK-QAPCUYQASA-N 1 0 401.894 4.373 20 5 HIBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000312003873 855371437 /nfs/dbraw/zinc/37/14/37/855371437.db2.gz VCQFTTVEMPGGIM-UHFFFAOYSA-N 1 0 418.335 4.454 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Br)cc(Br)c2)cc1 ZINC000394519998 855469878 /nfs/dbraw/zinc/46/98/78/855469878.db2.gz HKKVOQFJXYHEMI-UHFFFAOYSA-N 1 0 400.070 4.410 20 5 HIBDRO O=C(CC[NH+]1CCC(Oc2ccccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410028126 855786265 /nfs/dbraw/zinc/78/62/65/855786265.db2.gz IZYFKHVLNUXGQO-UHFFFAOYSA-N 1 0 403.866 4.120 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000410155247 855842041 /nfs/dbraw/zinc/84/20/41/855842041.db2.gz AFNZMOBXVVWOEO-ROUUACIJSA-N 1 0 410.518 4.072 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995117 856036759 /nfs/dbraw/zinc/03/67/59/856036759.db2.gz KBBXCZJZUWUIGF-YLJYHZDGSA-N 1 0 408.502 4.104 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995115 856036821 /nfs/dbraw/zinc/03/68/21/856036821.db2.gz KBBXCZJZUWUIGF-PXNSSMCTSA-N 1 0 408.502 4.104 20 5 HIBDRO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(C)c1OCc1ccccn1 ZINC000426005842 856042690 /nfs/dbraw/zinc/04/26/90/856042690.db2.gz ZDCMEBAXHYUFKK-UHFFFAOYSA-N 1 0 421.501 4.219 20 5 HIBDRO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000426133121 856128307 /nfs/dbraw/zinc/12/83/07/856128307.db2.gz GWFKIZHWFOQULF-GOSISDBHSA-N 1 0 411.502 4.024 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426253076 856203759 /nfs/dbraw/zinc/20/37/59/856203759.db2.gz PRJPJDOVFLAMHZ-UHFFFAOYSA-N 1 0 422.529 4.455 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000426470648 856308796 /nfs/dbraw/zinc/30/87/96/856308796.db2.gz UJQOFODSPCVTMJ-KRWDZBQOSA-N 1 0 410.518 4.398 20 5 HIBDRO CC[NH+](CC)Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000427928247 857010614 /nfs/dbraw/zinc/01/06/14/857010614.db2.gz WNKFICZXUAHCDC-UHFFFAOYSA-N 1 0 408.458 4.002 20 5 HIBDRO CCCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000437608177 862923466 /nfs/dbraw/zinc/92/34/66/862923466.db2.gz UEQISNLFEUJBFM-HOTGVXAUSA-N 1 0 422.526 4.119 20 5 HIBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3ncccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000429216415 857558821 /nfs/dbraw/zinc/55/88/21/857558821.db2.gz PDMVQHKSTXYASJ-UHFFFAOYSA-N 1 0 402.882 4.160 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000429405376 857647282 /nfs/dbraw/zinc/64/72/82/857647282.db2.gz HTBOSXMSHYNJFE-CVEARBPZSA-N 1 0 421.335 4.119 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000429424275 857658725 /nfs/dbraw/zinc/65/87/25/857658725.db2.gz JMSPWPDQBKQLPH-CABCVRRESA-N 1 0 407.308 4.168 20 5 HIBDRO CCOC(=O)c1csc(C2CCN(Cc3cc([N+](=O)[O-])ccc3OCC)CC2)n1 ZINC000429586637 857769910 /nfs/dbraw/zinc/76/99/10/857769910.db2.gz CJDRYYTWOZLXJW-UHFFFAOYSA-N 1 0 419.503 4.006 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000430666841 858258474 /nfs/dbraw/zinc/25/84/74/858258474.db2.gz ZQGUOCIMUMTXSC-YOEHRIQHSA-N 1 0 421.419 4.397 20 5 HIBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)c1ccccc1 ZINC000430882972 858353660 /nfs/dbraw/zinc/35/36/60/858353660.db2.gz NXYWWVIWFTYSCX-GOSISDBHSA-N 1 0 405.454 4.340 20 5 HIBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC000430883585 858353938 /nfs/dbraw/zinc/35/39/38/858353938.db2.gz RALRUNYDLIVGKJ-KRWDZBQOSA-N 1 0 405.454 4.340 20 5 HIBDRO Cc1c(Br)c(Nc2cccc3c2OCC[C@H]3[NH+](C)C)ncc1[N+](=O)[O-] ZINC000432943422 859440178 /nfs/dbraw/zinc/44/01/78/859440178.db2.gz HQAWUYMEVOHMEG-CYBMUJFWSA-N 1 0 407.268 4.190 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433145169 859539295 /nfs/dbraw/zinc/53/92/95/859539295.db2.gz PIYIBRZOFOTPNF-JOCHJYFZSA-N 1 0 422.529 4.010 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153741 859544075 /nfs/dbraw/zinc/54/40/75/859544075.db2.gz QQDHXLBSFAXJSU-RTBURBONSA-N 1 0 401.532 4.042 20 5 HIBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000433776900 859888343 /nfs/dbraw/zinc/88/83/43/859888343.db2.gz YJYPQLFQQIPBHE-UXHICEINSA-N 1 0 408.502 4.219 20 5 HIBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467722671 881521220 /nfs/dbraw/zinc/52/12/20/881521220.db2.gz ZAZGVUTUHAMLMR-ZDUSSCGKSA-N 1 0 407.923 4.469 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(c4ncc5n4CCCC5)CC3)o2)c1 ZINC000434683350 860458163 /nfs/dbraw/zinc/45/81/63/860458163.db2.gz GCHYWVBECYPPJD-UHFFFAOYSA-N 1 0 421.501 4.205 20 5 HIBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000435128146 860653515 /nfs/dbraw/zinc/65/35/15/860653515.db2.gz CGJSIHZTDSYZPL-MJGOQNOKSA-N 1 0 410.474 4.478 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000435835097 861097261 /nfs/dbraw/zinc/09/72/61/861097261.db2.gz MAAODSXPOZEJPF-UHFFFAOYSA-N 1 0 413.521 4.453 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437921577 863297801 /nfs/dbraw/zinc/29/78/01/863297801.db2.gz JYIYATVLFBEVAL-UHFFFAOYSA-N 1 0 422.529 4.455 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998590 863360701 /nfs/dbraw/zinc/36/07/01/863360701.db2.gz JBSKRVGPGWMUQX-PXNSSMCTSA-N 1 0 408.502 4.104 20 5 HIBDRO C[C@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000467842388 881682573 /nfs/dbraw/zinc/68/25/73/881682573.db2.gz QXHRLDWOROMFCQ-YWZLYKJASA-N 1 0 423.435 4.338 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C1 ZINC000438348206 863818165 /nfs/dbraw/zinc/81/81/65/863818165.db2.gz WZINPGAAIYSIAM-UHFFFAOYSA-N 1 0 408.502 4.419 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000438554621 863986572 /nfs/dbraw/zinc/98/65/72/863986572.db2.gz AZYSLVDHZURNHL-XEVCZEQESA-N 1 0 416.566 4.063 20 5 HIBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000438560099 863993030 /nfs/dbraw/zinc/99/30/30/863993030.db2.gz DFPFRICLNCNQEM-QZTJIDSGSA-N 1 0 424.545 4.434 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000438947067 864419386 /nfs/dbraw/zinc/41/93/86/864419386.db2.gz ADDQZQRZHRNQAM-HOTGVXAUSA-N 1 0 415.921 4.443 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000439169054 864597988 /nfs/dbraw/zinc/59/79/88/864597988.db2.gz MCSHDYJIQWIPRS-FZKQIMNGSA-N 1 0 407.923 4.431 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000439169055 864598538 /nfs/dbraw/zinc/59/85/38/864598538.db2.gz MCSHDYJIQWIPRS-SCLBCKFNSA-N 1 0 407.923 4.431 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000439211305 864633208 /nfs/dbraw/zinc/63/32/08/864633208.db2.gz QMIUHECXOIILJS-LJQANCHMSA-N 1 0 417.893 4.132 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000439299166 864724648 /nfs/dbraw/zinc/72/46/48/864724648.db2.gz PBAHWDDHCMZBLG-OXJNMPFZSA-N 1 0 406.523 4.419 20 5 HIBDRO CC[C@@](C)(O)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000439789357 865110432 /nfs/dbraw/zinc/11/04/32/865110432.db2.gz ZGXVDEDUFAGIBA-HSZRJFAPSA-N 1 0 408.502 4.159 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000439869681 865177465 /nfs/dbraw/zinc/17/74/65/865177465.db2.gz JYAWNBHOTLZTMO-KRWDZBQOSA-N 1 0 412.490 4.122 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000440532996 865807130 /nfs/dbraw/zinc/80/71/30/865807130.db2.gz AXWOTYMGFHSICQ-GOSISDBHSA-N 1 0 406.486 4.060 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000440532998 865807151 /nfs/dbraw/zinc/80/71/51/865807151.db2.gz AXWOTYMGFHSICQ-SFHVURJKSA-N 1 0 406.486 4.060 20 5 HIBDRO C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000442714472 867642899 /nfs/dbraw/zinc/64/28/99/867642899.db2.gz LMKLDNYNZWNHTM-OAHLLOKOSA-N 1 0 401.532 4.452 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000443968393 868499132 /nfs/dbraw/zinc/49/91/32/868499132.db2.gz DQXSBVVGMOAXSN-UHFFFAOYSA-N 1 0 406.433 4.086 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)o1 ZINC000444000405 868520400 /nfs/dbraw/zinc/52/04/00/868520400.db2.gz DHWMCJNVMCYENT-AWEZNQCLSA-N 1 0 420.387 4.213 20 5 HIBDRO COc1cccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000444040936 868580286 /nfs/dbraw/zinc/58/02/86/868580286.db2.gz UWVHGTKWSPJGOX-IRXDYDNUSA-N 1 0 411.502 4.011 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444178422 868651608 /nfs/dbraw/zinc/65/16/08/868651608.db2.gz AHJRMRNDXSUVMT-RXVVDRJESA-N 1 0 405.542 4.312 20 5 HIBDRO CC(C)N1CCc2nc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)sc2C1 ZINC000444305213 868736688 /nfs/dbraw/zinc/73/66/88/868736688.db2.gz SFUIKSXUPZEZMT-UHFFFAOYSA-N 1 0 418.522 4.157 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000444721764 868976240 /nfs/dbraw/zinc/97/62/40/868976240.db2.gz GECJSCFNTNSHCB-MRXNPFEDSA-N 1 0 405.454 4.124 20 5 HIBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000445144624 869241458 /nfs/dbraw/zinc/24/14/58/869241458.db2.gz RWQMKWIZVYVXCH-UHFFFAOYSA-N 1 0 417.553 4.410 20 5 HIBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445181153 869264094 /nfs/dbraw/zinc/26/40/94/869264094.db2.gz HAZXBIKGIJTHIK-QGZVFWFLSA-N 1 0 405.542 4.312 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000445947169 869907711 /nfs/dbraw/zinc/90/77/11/869907711.db2.gz RNAFPMIOCSHYCP-XMMPIXPASA-N 1 0 407.514 4.042 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445989140 869953591 /nfs/dbraw/zinc/95/35/91/869953591.db2.gz ROOCYZQLKUVFOS-KZNAEPCWSA-N 1 0 424.419 4.279 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000446003204 869966678 /nfs/dbraw/zinc/96/66/78/869966678.db2.gz PGHXLKABJKRUHI-WBVHZDCISA-N 1 0 407.392 4.138 20 5 HIBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000446441940 870361364 /nfs/dbraw/zinc/36/13/64/870361364.db2.gz GZQSJTUDBJKLGY-UHFFFAOYSA-N 1 0 417.575 4.481 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000446481111 870393250 /nfs/dbraw/zinc/39/32/50/870393250.db2.gz FVGFVOVCRVPHNY-UHFFFAOYSA-N 1 0 408.502 4.423 20 5 HIBDRO Cc1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1[N+](=O)[O-] ZINC000447095574 870993406 /nfs/dbraw/zinc/99/34/06/870993406.db2.gz YSJSIDBVHYJEMQ-UHFFFAOYSA-N 1 0 401.264 4.141 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)c1ccncc1 ZINC000447527455 871393022 /nfs/dbraw/zinc/39/30/22/871393022.db2.gz GAYNGTHMCQZBJJ-QFIPXVFZSA-N 1 0 402.454 4.409 20 5 HIBDRO O=C(Nc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1)c1ccncc1 ZINC000447539419 871403539 /nfs/dbraw/zinc/40/35/39/871403539.db2.gz GLVXMCSTMPFLTL-JOCHJYFZSA-N 1 0 402.454 4.409 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 ZINC000447540087 871408044 /nfs/dbraw/zinc/40/80/44/871408044.db2.gz ISFXFSWRICEBKC-QZTZHPFYSA-N 1 0 409.530 4.371 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)n1 ZINC000447542837 871408647 /nfs/dbraw/zinc/40/86/47/871408647.db2.gz QIKCCWWFIHOVBN-OALUTQOASA-N 1 0 411.437 4.391 20 5 HIBDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447545481 871414783 /nfs/dbraw/zinc/41/47/83/871414783.db2.gz XCYVBFSDBOXYEW-ZWKOTPCHSA-N 1 0 400.479 4.020 20 5 HIBDRO CCc1ccc([C@@H]([NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000447549176 871423692 /nfs/dbraw/zinc/42/36/92/871423692.db2.gz DCGWPMIDAPDXGE-MBSDFSHPSA-N 1 0 423.517 4.140 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC000447550818 871427955 /nfs/dbraw/zinc/42/79/55/871427955.db2.gz OGTUFVDJPQYJNO-IAGOWNOFSA-N 1 0 412.412 4.144 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)n1 ZINC000447564361 871456735 /nfs/dbraw/zinc/45/67/35/871456735.db2.gz WTSMMOYUIBMYJL-RBUKOAKNSA-N 1 0 411.437 4.391 20 5 HIBDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447574263 871472835 /nfs/dbraw/zinc/47/28/35/871472835.db2.gz MEPKFHQWCBJNRK-PMACEKPBSA-N 1 0 408.506 4.374 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000447670204 871601118 /nfs/dbraw/zinc/60/11/18/871601118.db2.gz ITKHZDZEKUQIEI-YPMHNXCESA-N 1 0 420.382 4.097 20 5 HIBDRO Cc1cnccc1OC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000447689641 871623623 /nfs/dbraw/zinc/62/36/23/871623623.db2.gz RQXXQWIKXCYOSO-UHFFFAOYSA-N 1 0 420.469 4.320 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447728532 871675914 /nfs/dbraw/zinc/67/59/14/871675914.db2.gz LVGCKMWGEDMQMF-KRWDZBQOSA-N 1 0 401.488 4.344 20 5 HIBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000447799437 871738091 /nfs/dbraw/zinc/73/80/91/871738091.db2.gz INWFPSVXODOVJY-CYBMUJFWSA-N 1 0 418.881 4.067 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC2(CCOCC2)O1 ZINC000448365008 872314670 /nfs/dbraw/zinc/31/46/70/872314670.db2.gz WDLGHBPLPZVJRH-CQSZACIVSA-N 1 0 406.866 4.278 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC2(CCOCC2)O1 ZINC000448365007 872314995 /nfs/dbraw/zinc/31/49/95/872314995.db2.gz WDLGHBPLPZVJRH-AWEZNQCLSA-N 1 0 406.866 4.278 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000460967722 873863728 /nfs/dbraw/zinc/86/37/28/873863728.db2.gz FDWGNAWAWDSYQT-UHFFFAOYSA-N 1 0 411.593 4.044 20 5 HIBDRO CO[C@](C)(C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000461063298 873942969 /nfs/dbraw/zinc/94/29/69/873942969.db2.gz VTEOWINVOUUUGE-PZJWPPBQSA-N 1 0 417.893 4.333 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000468652799 882790224 /nfs/dbraw/zinc/79/02/24/882790224.db2.gz SKOFYKXHLWXTHH-ZAQQZEBGSA-N 1 0 409.530 4.488 20 5 HIBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000468692718 882816150 /nfs/dbraw/zinc/81/61/50/882816150.db2.gz FUYOYBQYFPHEED-HXUWFJFHSA-N 1 0 414.502 4.431 20 5 HIBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1 ZINC000468699438 882819855 /nfs/dbraw/zinc/81/98/55/882819855.db2.gz IFYBZQGPVSQBFE-FUHWJXTLSA-N 1 0 419.547 4.176 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C[C@H](C)O1 ZINC000462086214 875195152 /nfs/dbraw/zinc/19/51/52/875195152.db2.gz DZDXSASFPDZBBV-GASCZTMLSA-N 1 0 421.444 4.418 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000462549982 875674008 /nfs/dbraw/zinc/67/40/08/875674008.db2.gz MANGHQITIWXMLN-CTNGQTDRSA-N 1 0 412.486 4.230 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462921280 875950745 /nfs/dbraw/zinc/95/07/45/875950745.db2.gz DZWVTOSIXBAVAT-RBUKOAKNSA-N 1 0 415.559 4.253 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462928980 875958153 /nfs/dbraw/zinc/95/81/53/875958153.db2.gz USZCKYPFIXCQJD-IBGZPJMESA-N 1 0 413.493 4.083 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462997047 876011343 /nfs/dbraw/zinc/01/13/43/876011343.db2.gz PGRZUMBSACSHHO-NHCUHLMSSA-N 1 0 401.551 4.278 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000463010903 876026817 /nfs/dbraw/zinc/02/68/17/876026817.db2.gz NHEQFLVDPGVSMQ-QFIPXVFZSA-N 1 0 414.469 4.091 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](n4cccn4)C3)o2)c(Br)c1 ZINC000463032276 876053126 /nfs/dbraw/zinc/05/31/26/876053126.db2.gz HRTZXCLTZVDZEY-AWEZNQCLSA-N 1 0 417.263 4.261 20 5 HIBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463434801 876491700 /nfs/dbraw/zinc/49/17/00/876491700.db2.gz PSRPJKBSFANRGC-HNNXBMFYSA-N 1 0 413.421 4.242 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463441112 876498969 /nfs/dbraw/zinc/49/89/69/876498969.db2.gz HXPFRIKWYZJFHJ-SBUREZEXSA-N 1 0 422.485 4.023 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000463949294 877070551 /nfs/dbraw/zinc/07/05/51/877070551.db2.gz KEOHQCCTIPJIMF-UHFFFAOYSA-N 1 0 400.454 4.137 20 5 HIBDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000464096085 877253047 /nfs/dbraw/zinc/25/30/47/877253047.db2.gz YCLHKLOSTUKSBW-SFHVURJKSA-N 1 0 406.486 4.214 20 5 HIBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000464568337 877786529 /nfs/dbraw/zinc/78/65/29/877786529.db2.gz IKDNEVFZQGRGDV-LJQANCHMSA-N 1 0 410.518 4.011 20 5 HIBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000464677132 877894240 /nfs/dbraw/zinc/89/42/40/877894240.db2.gz LOMICPBOMILTQC-VQIMIIECSA-N 1 0 401.482 4.227 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464768058 878010737 /nfs/dbraw/zinc/01/07/37/878010737.db2.gz HKKGHNGCCUDAPX-INIZCTEOSA-N 1 0 415.515 4.046 20 5 HIBDRO Cc1ccc(CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2CCCO2)cc1 ZINC000464774095 878016106 /nfs/dbraw/zinc/01/61/06/878016106.db2.gz HYRNHNHBZBTYSI-OAQYLSRUSA-N 1 0 422.485 4.177 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)C1 ZINC000465181267 878569853 /nfs/dbraw/zinc/56/98/53/878569853.db2.gz CPYZQQQVCNKXLO-OAHLLOKOSA-N 1 0 408.458 4.049 20 5 HIBDRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000465634921 879149200 /nfs/dbraw/zinc/14/92/00/879149200.db2.gz NPCRYNKJUJTTIU-ZSZQSSIHSA-N 1 0 402.520 4.100 20 5 HIBDRO CN(C)CC1([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000466422438 880195156 /nfs/dbraw/zinc/19/51/56/880195156.db2.gz SYWYVQRJIHIDLK-UHFFFAOYSA-N 1 0 405.502 4.021 20 5 HIBDRO CCC[NH+]1CCN(c2ccccc2CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466472781 880255326 /nfs/dbraw/zinc/25/53/26/880255326.db2.gz IDMUYWDUHKWLKI-UHFFFAOYSA-N 1 0 402.926 4.070 20 5 HIBDRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000466474325 880257176 /nfs/dbraw/zinc/25/71/76/880257176.db2.gz OUFBQYMWFQCETO-UHFFFAOYSA-N 1 0 404.806 4.079 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466574314 880350038 /nfs/dbraw/zinc/35/00/38/880350038.db2.gz GOYDABMKCWIPRV-UHFFFAOYSA-N 1 0 404.898 4.089 20 5 HIBDRO C[N@@H+]1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000466784867 880563479 /nfs/dbraw/zinc/56/34/79/880563479.db2.gz ABAAIIQWXZXMRB-UHFFFAOYSA-N 1 0 405.907 4.177 20 5 HIBDRO COc1ccc(C[N@H+](C)CC[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467367273 881138107 /nfs/dbraw/zinc/13/81/07/881138107.db2.gz CGIFDWMVNCDBBJ-FQEVSTJZSA-N 1 0 400.475 4.183 20 5 HIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cccc1[N+](=O)[O-] ZINC000469101253 883191071 /nfs/dbraw/zinc/19/10/71/883191071.db2.gz UEBNFZVUCLRIJF-LIRRHRJNSA-N 1 0 403.429 4.023 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)c2c(c1)COCO2 ZINC000469448060 883644272 /nfs/dbraw/zinc/64/42/72/883644272.db2.gz KNYNNLQRSFUQFT-UHFFFAOYSA-N 1 0 404.413 4.194 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(C(F)(F)F)c1 ZINC000469509122 883763805 /nfs/dbraw/zinc/76/38/05/883763805.db2.gz UNQDURYEOFYCRZ-INIZCTEOSA-N 1 0 421.375 4.393 20 5 HIBDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470171142 884450485 /nfs/dbraw/zinc/45/04/85/884450485.db2.gz GBJOFKIDVYMCNF-XBNGYDHASA-N 1 0 413.440 4.121 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1cccc(C(F)(F)F)c1 ZINC000470599561 885023922 /nfs/dbraw/zinc/02/39/22/885023922.db2.gz JVZMXKWNUOGSOT-QGZVFWFLSA-N 1 0 420.391 4.128 20 5 HIBDRO Cc1cc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000470863766 885354128 /nfs/dbraw/zinc/35/41/28/885354128.db2.gz WUQPGPVQHDLGNJ-UHFFFAOYSA-N 1 0 417.513 4.233 20 5 HIBDRO Cc1ccc([C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccn2)cc1 ZINC000471079365 885605526 /nfs/dbraw/zinc/60/55/26/885605526.db2.gz ASZGSJQXVCWNKA-QHCPKHFHSA-N 1 0 404.470 4.314 20 5 HIBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000471207527 885780000 /nfs/dbraw/zinc/78/00/00/885780000.db2.gz MOEIWHAQYVNOCP-UHFFFAOYSA-N 1 0 422.485 4.371 20 5 HIBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)CC1 ZINC000471653623 886369396 /nfs/dbraw/zinc/36/93/96/886369396.db2.gz OXSBBMHRMRWTPB-UHFFFAOYSA-N 1 0 410.499 4.204 20 5 HIBDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000471937586 886734391 /nfs/dbraw/zinc/73/43/91/886734391.db2.gz SUFHXOLWVWXCIK-UGKGYDQZSA-N 1 0 424.501 4.320 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000472501917 887370746 /nfs/dbraw/zinc/37/07/46/887370746.db2.gz QHEJQPRGSVIIGE-BRLLKYFNSA-N 1 0 415.921 4.064 20 5 HIBDRO C[N@H+](Cc1ccccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000472589882 887467274 /nfs/dbraw/zinc/46/72/74/887467274.db2.gz LGQVCJSECYEOLQ-UHFFFAOYSA-N 1 0 417.531 4.301 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472619960 887488077 /nfs/dbraw/zinc/48/80/77/887488077.db2.gz DWIDSXGBLAYXQD-HSZRJFAPSA-N 1 0 409.486 4.202 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000473281625 888037033 /nfs/dbraw/zinc/03/70/33/888037033.db2.gz HEEQURPLUQKHRT-GJZGRUSLSA-N 1 0 401.894 4.135 20 5 HIBDRO CCOc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473501330 888228003 /nfs/dbraw/zinc/22/80/03/888228003.db2.gz CEOXUTUQAPILMY-DEOSSOPVSA-N 1 0 423.513 4.122 20 5 HIBDRO CC(C)c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000473691599 888466050 /nfs/dbraw/zinc/46/60/50/888466050.db2.gz NNKDNDCHFLYGSI-MRXNPFEDSA-N 1 0 401.532 4.422 20 5 HIBDRO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473945094 888821384 /nfs/dbraw/zinc/82/13/84/888821384.db2.gz MJMIISFKIKAFIZ-AVRDEDQJSA-N 1 0 410.518 4.004 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC000473989434 888851728 /nfs/dbraw/zinc/85/17/28/888851728.db2.gz AUFQCYFWWRQUFD-CYBMUJFWSA-N 1 0 400.456 4.212 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000474017185 888871288 /nfs/dbraw/zinc/87/12/88/888871288.db2.gz APAPDQGBNFUSKC-HXUWFJFHSA-N 1 0 424.856 4.426 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOC(F)(F)F)o2)c(Br)c1 ZINC000474022470 888873607 /nfs/dbraw/zinc/87/36/07/888873607.db2.gz WLILWAMAZYTXSW-UHFFFAOYSA-N 1 0 409.158 4.243 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000474349225 889226395 /nfs/dbraw/zinc/22/63/95/889226395.db2.gz OMORKRWGVDWZMY-UHFFFAOYSA-N 1 0 406.438 4.026 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)cc1[N+](=O)[O-] ZINC000474379422 889253771 /nfs/dbraw/zinc/25/37/71/889253771.db2.gz QSHPLXQGMOCEKZ-QFIPXVFZSA-N 1 0 416.449 4.307 20 5 HIBDRO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000475113191 889964667 /nfs/dbraw/zinc/96/46/67/889964667.db2.gz RBGYFFBKJRJTGQ-CYFREDJKSA-N 1 0 422.529 4.354 20 5 HIBDRO Cc1ccc([C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000475334886 890254521 /nfs/dbraw/zinc/25/45/21/890254521.db2.gz FLHHZLRDVDRLRN-HXOBKFHXSA-N 1 0 404.470 4.395 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000475572625 890503171 /nfs/dbraw/zinc/50/31/71/890503171.db2.gz PVCSLHQNHPTSIG-UHFFFAOYSA-N 1 0 406.433 4.086 20 5 HIBDRO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000475628283 890566409 /nfs/dbraw/zinc/56/64/09/890566409.db2.gz WHEZAJPWBQIAES-UHFFFAOYSA-N 1 0 418.515 4.115 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475690112 890630155 /nfs/dbraw/zinc/63/01/55/890630155.db2.gz DNNCXKFIELARRC-GFCCVEGCSA-N 1 0 401.394 4.168 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475690113 890630482 /nfs/dbraw/zinc/63/04/82/890630482.db2.gz DNNCXKFIELARRC-LBPRGKRZSA-N 1 0 401.394 4.168 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475715495 890653541 /nfs/dbraw/zinc/65/35/41/890653541.db2.gz QCTQPSWVUYLLKI-GFCCVEGCSA-N 1 0 401.394 4.168 20 5 HIBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476160149 891086647 /nfs/dbraw/zinc/08/66/47/891086647.db2.gz PPAXAQJSJQZUQU-IIBYNOLFSA-N 1 0 410.474 4.478 20 5 HIBDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000476268291 891188785 /nfs/dbraw/zinc/18/87/85/891188785.db2.gz GTUGLSLBWPKTJR-MRXNPFEDSA-N 1 0 422.428 4.421 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000477015822 891942840 /nfs/dbraw/zinc/94/28/40/891942840.db2.gz YPCNYNJVMUBHLT-KGLIPLIRSA-N 1 0 405.882 4.319 20 5 HIBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477062219 891994970 /nfs/dbraw/zinc/99/49/70/891994970.db2.gz XITLQHPSWJWECP-UHFFFAOYSA-N 1 0 418.497 4.204 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000504900568 913632415 /nfs/dbraw/zinc/63/24/15/913632415.db2.gz ZQRYSJPINXEKSM-SFHVURJKSA-N 1 0 400.548 4.115 20 5 HIBDRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000477232376 892172795 /nfs/dbraw/zinc/17/27/95/892172795.db2.gz JFFZUPUAGLRJRD-BLVKFPJESA-N 1 0 403.866 4.325 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000504905448 913638972 /nfs/dbraw/zinc/63/89/72/913638972.db2.gz IQZPZCJCJNRCAU-MRXNPFEDSA-N 1 0 420.469 4.492 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000477298433 892259285 /nfs/dbraw/zinc/25/92/85/892259285.db2.gz UDDGFPZEFNREJN-OAQYLSRUSA-N 1 0 413.493 4.038 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000477309378 892271401 /nfs/dbraw/zinc/27/14/01/892271401.db2.gz HAXVWJJNNUUXJT-GOSISDBHSA-N 1 0 417.893 4.132 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(c3ccc(OC)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000504912045 913646976 /nfs/dbraw/zinc/64/69/76/913646976.db2.gz PEUTWWBKNYANQD-QGZVFWFLSA-N 1 0 414.502 4.401 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000504919984 913656601 /nfs/dbraw/zinc/65/66/01/913656601.db2.gz MFVRYGFZRLMZDJ-RBUKOAKNSA-N 1 0 413.543 4.419 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000477623437 892733964 /nfs/dbraw/zinc/73/39/64/892733964.db2.gz WPEAKQKPXASNLE-CQSZACIVSA-N 1 0 407.923 4.260 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000478624098 893881251 /nfs/dbraw/zinc/88/12/51/893881251.db2.gz UFYWDNXKIGCZEH-KRWDZBQOSA-N 1 0 414.550 4.286 20 5 HIBDRO O=C1[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1c1ccccc1C(F)(F)F ZINC000479418652 894728517 /nfs/dbraw/zinc/72/85/17/894728517.db2.gz KHVCUGPLNAASND-BIENSFFJSA-N 1 0 405.376 4.022 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](NCc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000479489953 894810933 /nfs/dbraw/zinc/81/09/33/894810933.db2.gz NLNCFTACHDNWDI-QFIPXVFZSA-N 1 0 405.454 4.381 20 5 HIBDRO Cc1c(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480057306 895403877 /nfs/dbraw/zinc/40/38/77/895403877.db2.gz UQZXFYRKWFFYGX-UTKZUKDTSA-N 1 0 410.518 4.098 20 5 HIBDRO Cc1c(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480057304 895404992 /nfs/dbraw/zinc/40/49/92/895404992.db2.gz UQZXFYRKWFFYGX-DYESRHJHSA-N 1 0 410.518 4.098 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480069967 895420387 /nfs/dbraw/zinc/42/03/87/895420387.db2.gz GHFTXQOCXWIJCG-UHFFFAOYSA-N 1 0 404.536 4.018 20 5 HIBDRO CCC[C@@H]([NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000480081496 895438159 /nfs/dbraw/zinc/43/81/59/895438159.db2.gz FYPFQTKXOMLKRH-PKTZIBPZSA-N 1 0 413.518 4.108 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480125154 895500912 /nfs/dbraw/zinc/50/09/12/895500912.db2.gz NNOSAXJXHWYUFH-DYVFJYSZSA-N 1 0 420.428 4.228 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4cnn(C(C)C)c4C3)o2)c([N+](=O)[O-])c1 ZINC000480467152 895849526 /nfs/dbraw/zinc/84/95/26/895849526.db2.gz IJMICRDWQUELIK-MRXNPFEDSA-N 1 0 410.474 4.288 20 5 HIBDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480478718 895857874 /nfs/dbraw/zinc/85/78/74/895857874.db2.gz GABFTYDMIOSDLW-UHFFFAOYSA-N 1 0 415.291 4.450 20 5 HIBDRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480534889 895897849 /nfs/dbraw/zinc/89/78/49/895897849.db2.gz HMSCAULFQUXISL-MRXNPFEDSA-N 1 0 424.526 4.406 20 5 HIBDRO CCOc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505351885 914016976 /nfs/dbraw/zinc/01/69/76/914016976.db2.gz UUPDZEVEKSSBCD-IAGOWNOFSA-N 1 0 416.522 4.055 20 5 HIBDRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481180277 896517770 /nfs/dbraw/zinc/51/77/70/896517770.db2.gz WSTSITMPYDJRMM-CYBMUJFWSA-N 1 0 401.417 4.023 20 5 HIBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481283348 896630351 /nfs/dbraw/zinc/63/03/51/896630351.db2.gz LTWJIJCPSCKKJY-QZTJIDSGSA-N 1 0 415.877 4.397 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000481516985 896884235 /nfs/dbraw/zinc/88/42/35/896884235.db2.gz OIXQVUGXDRCVCY-NYVOZVTQSA-N 1 0 411.502 4.066 20 5 HIBDRO COc1ccc(C2(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CCOCC2)cc1 ZINC000481550879 896916806 /nfs/dbraw/zinc/91/68/06/896916806.db2.gz XMLCGWCPKIRAMZ-JOCHJYFZSA-N 1 0 410.514 4.263 20 5 HIBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481861297 897228848 /nfs/dbraw/zinc/22/88/48/897228848.db2.gz DIRFDQRPHPKVCS-DYESRHJHSA-N 1 0 413.905 4.375 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000482088488 897531672 /nfs/dbraw/zinc/53/16/72/897531672.db2.gz MUXSZZJBYWPOEY-AWEZNQCLSA-N 1 0 420.307 4.136 20 5 HIBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)C1 ZINC000505517348 914205446 /nfs/dbraw/zinc/20/54/46/914205446.db2.gz YBYVIAULSFLKEM-JOCHJYFZSA-N 1 0 411.527 4.304 20 5 HIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000482620537 898223437 /nfs/dbraw/zinc/22/34/37/898223437.db2.gz CUBGAEIMUSHWJE-INIZCTEOSA-N 1 0 410.518 4.453 20 5 HIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000482636415 898241021 /nfs/dbraw/zinc/24/10/21/898241021.db2.gz WGGPIQAQNIVDPJ-UHFFFAOYSA-N 1 0 424.423 4.424 20 5 HIBDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000482659923 898262219 /nfs/dbraw/zinc/26/22/19/898262219.db2.gz FKHRNCLQAWXKEG-HXUWFJFHSA-N 1 0 412.442 4.085 20 5 HIBDRO C[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709885 898310484 /nfs/dbraw/zinc/31/04/84/898310484.db2.gz UOFSKMJVGTZUHO-IAGOWNOFSA-N 1 0 403.548 4.067 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482762960 898369222 /nfs/dbraw/zinc/36/92/22/898369222.db2.gz ZVJLPPUVZGNPGP-RXVVDRJESA-N 1 0 424.501 4.122 20 5 HIBDRO COc1cccc([C@H]2[C@@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000482826606 898434901 /nfs/dbraw/zinc/43/49/01/898434901.db2.gz PIBNXZBOFCSMIL-REWPJTCUSA-N 1 0 423.513 4.236 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000482883922 898497405 /nfs/dbraw/zinc/49/74/05/898497405.db2.gz BJHCTUSRRZECSM-AWEZNQCLSA-N 1 0 420.307 4.057 20 5 HIBDRO C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H](c1ccccc1)[NH+](C)C ZINC000505592071 914299509 /nfs/dbraw/zinc/29/95/09/914299509.db2.gz QSVNECRZIPSJFJ-WNSKOXEYSA-N 1 0 417.484 4.242 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000483558757 899215621 /nfs/dbraw/zinc/21/56/21/899215621.db2.gz IDJXDBUTOMVZNP-MSOLQXFVSA-N 1 0 405.564 4.289 20 5 HIBDRO C[C@H](NC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1)c1ccccc1 ZINC000484145553 899766862 /nfs/dbraw/zinc/76/68/62/899766862.db2.gz MYFXILASWRKAFM-CVDCTZTESA-N 1 0 423.557 4.406 20 5 HIBDRO CC(C)[C@@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000484345138 899894430 /nfs/dbraw/zinc/89/44/30/899894430.db2.gz PJSJXFONLWTRAO-LJQANCHMSA-N 1 0 420.307 4.117 20 5 HIBDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000485436910 900733753 /nfs/dbraw/zinc/73/37/53/900733753.db2.gz KTZYMFOFHNBMRY-UHFFFAOYSA-N 1 0 411.502 4.474 20 5 HIBDRO CSc1cccc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485500206 900789401 /nfs/dbraw/zinc/78/94/01/900789401.db2.gz XOJLLQYVCTVLNE-AEFFLSMTSA-N 1 0 413.543 4.347 20 5 HIBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000485604796 900864363 /nfs/dbraw/zinc/86/43/63/900864363.db2.gz VYJHZQNWNPFSER-LJQANCHMSA-N 1 0 410.518 4.153 20 5 HIBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485716791 900966217 /nfs/dbraw/zinc/96/62/17/900966217.db2.gz FEPLUGAPCGFCIK-HXUWFJFHSA-N 1 0 423.513 4.168 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485905777 901133928 /nfs/dbraw/zinc/13/39/28/901133928.db2.gz JZYNQUSDOPIPOM-UHFFFAOYSA-N 1 0 419.428 4.090 20 5 HIBDRO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000486361101 901529966 /nfs/dbraw/zinc/52/99/66/901529966.db2.gz PJHZUVMMPPSKGO-QZTJIDSGSA-N 1 0 411.502 4.167 20 5 HIBDRO CC(C)([C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000486558902 901704440 /nfs/dbraw/zinc/70/44/40/901704440.db2.gz RPCWWLMKHHWFNI-LJQANCHMSA-N 1 0 403.429 4.219 20 5 HIBDRO CC(C)([C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000486564897 901709867 /nfs/dbraw/zinc/70/98/67/901709867.db2.gz LSKWZAMLFLSEHJ-QGZVFWFLSA-N 1 0 409.458 4.280 20 5 HIBDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486931358 901973660 /nfs/dbraw/zinc/97/36/60/901973660.db2.gz AZQHPGBXKSKFFL-UHFFFAOYSA-N 1 0 419.441 4.482 20 5 HIBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487268068 902128653 /nfs/dbraw/zinc/12/86/53/902128653.db2.gz LTAXHKJZBSIENV-RDJZCZTQSA-N 1 0 409.511 4.450 20 5 HIBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487268064 902128984 /nfs/dbraw/zinc/12/89/84/902128984.db2.gz LTAXHKJZBSIENV-NVXWUHKLSA-N 1 0 409.511 4.450 20 5 HIBDRO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000488221982 902701816 /nfs/dbraw/zinc/70/18/16/902701816.db2.gz QHPICOXLQQGRND-KRWDZBQOSA-N 1 0 411.527 4.304 20 5 HIBDRO CC[N@H+](CC(C)(C)O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489321727 903330937 /nfs/dbraw/zinc/33/09/37/903330937.db2.gz BZADTOUCYCAIMH-SFHVURJKSA-N 1 0 405.882 4.021 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000489543927 903454505 /nfs/dbraw/zinc/45/45/05/903454505.db2.gz ADQXPVHLRHYOBY-UHFFFAOYSA-N 1 0 405.564 4.291 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000489600617 903490181 /nfs/dbraw/zinc/49/01/81/903490181.db2.gz VFZUDDQGCVAUKY-DYESRHJHSA-N 1 0 413.543 4.337 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489868842 903640405 /nfs/dbraw/zinc/64/04/05/903640405.db2.gz FVYSPSAHDYQVKX-JOCHJYFZSA-N 1 0 408.502 4.106 20 5 HIBDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490164660 903805074 /nfs/dbraw/zinc/80/50/74/903805074.db2.gz NHRNPKSEIADWTP-OAQYLSRUSA-N 1 0 421.501 4.439 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491082075 904418158 /nfs/dbraw/zinc/41/81/58/904418158.db2.gz ZPYPGNDXEATAAS-CQSZACIVSA-N 1 0 410.392 4.376 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000491422864 904587801 /nfs/dbraw/zinc/58/78/01/904587801.db2.gz JXPROEYJPWGSFH-RUZDIDTESA-N 1 0 417.509 4.306 20 5 HIBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000493104625 905019548 /nfs/dbraw/zinc/01/95/48/905019548.db2.gz JZMZMPUSVXCYKL-UHFFFAOYSA-N 1 0 419.481 4.165 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000493108003 905021575 /nfs/dbraw/zinc/02/15/75/905021575.db2.gz UQBSWDDVXOWJBC-MOPGFXCFSA-N 1 0 402.539 4.262 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000493257042 905071092 /nfs/dbraw/zinc/07/10/92/905071092.db2.gz NZAQHEYQBABNGO-GOSISDBHSA-N 1 0 410.518 4.270 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000493307836 905082488 /nfs/dbraw/zinc/08/24/88/905082488.db2.gz BESBVFSBQVSTKU-RBUKOAKNSA-N 1 0 410.518 4.270 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000493964654 905313658 /nfs/dbraw/zinc/31/36/58/905313658.db2.gz GAHOPNBFEZWTMR-UHFFFAOYSA-N 1 0 406.486 4.382 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494458776 905741247 /nfs/dbraw/zinc/74/12/47/905741247.db2.gz SOUQRHWUKLMWKQ-YLJYHZDGSA-N 1 0 403.866 4.005 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494487461 905770508 /nfs/dbraw/zinc/77/05/08/905770508.db2.gz WTLJKWQYWPZSMO-FXAWDEMLSA-N 1 0 421.856 4.144 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494490460 905774837 /nfs/dbraw/zinc/77/48/37/905774837.db2.gz GWTNGXSQLSCCAQ-ICSRJNTNSA-N 1 0 403.866 4.005 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494494786 905782165 /nfs/dbraw/zinc/78/21/65/905782165.db2.gz LTBRADRYKUDAGH-PXNSSMCTSA-N 1 0 403.866 4.005 20 5 HIBDRO Cn1cc(C[NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512497592 921201801 /nfs/dbraw/zinc/20/18/01/921201801.db2.gz YBONQUWBNFRWFC-UHFFFAOYSA-N 1 0 416.428 4.221 20 5 HIBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495104588 906242274 /nfs/dbraw/zinc/24/22/74/906242274.db2.gz YJNOTKOANHHQPN-ZWKOTPCHSA-N 1 0 411.502 4.024 20 5 HIBDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000495142282 906268051 /nfs/dbraw/zinc/26/80/51/906268051.db2.gz VVWQGCZZDPWBKG-UHFFFAOYSA-N 1 0 424.423 4.065 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3CCO)o2)c(Br)c1 ZINC000495177126 906288938 /nfs/dbraw/zinc/28/89/38/906288938.db2.gz YUZWAWWAMLRZGC-SJCJKPOMSA-N 1 0 409.280 4.258 20 5 HIBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000496244642 906636648 /nfs/dbraw/zinc/63/66/48/906636648.db2.gz KKRUGKWHUSTDIY-UHFFFAOYSA-N 1 0 411.502 4.056 20 5 HIBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000512728500 921297899 /nfs/dbraw/zinc/29/78/99/921297899.db2.gz FAUDSRSARCHRTI-KRWDZBQOSA-N 1 0 422.407 4.318 20 5 HIBDRO CC[NH+](CC)CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000498005819 907493188 /nfs/dbraw/zinc/49/31/88/907493188.db2.gz KZVPCIRFWXMFGU-UHFFFAOYSA-N 1 0 420.307 4.346 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000498350029 907852008 /nfs/dbraw/zinc/85/20/08/907852008.db2.gz OVMVFHPYXDUSGV-YOEHRIQHSA-N 1 0 402.344 4.318 20 5 HIBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498383295 907871346 /nfs/dbraw/zinc/87/13/46/907871346.db2.gz PFMYHCOCGUAJIV-HOCLYGCPSA-N 1 0 421.419 4.254 20 5 HIBDRO CCC[C@]1([NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CCOC1 ZINC000512880437 921375110 /nfs/dbraw/zinc/37/51/10/921375110.db2.gz UKARFINJZMMVDL-QFIPXVFZSA-N 1 0 400.475 4.231 20 5 HIBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498643232 908083297 /nfs/dbraw/zinc/08/32/97/908083297.db2.gz IXEGSESNPFRPTI-UHFFFAOYSA-N 1 0 420.469 4.260 20 5 HIBDRO CC[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000499125020 908481596 /nfs/dbraw/zinc/48/15/96/908481596.db2.gz YQDOFERDOIWZGX-UPVQGACJSA-N 1 0 422.529 4.354 20 5 HIBDRO COc1cc(C[NH2+]CC2CCC(F)(F)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000500435582 909856372 /nfs/dbraw/zinc/85/63/72/909856372.db2.gz WVKIVIGGMYGMOK-UHFFFAOYSA-N 1 0 412.355 4.460 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000500704516 910032767 /nfs/dbraw/zinc/03/27/67/910032767.db2.gz YGEFPVSQFNHMRH-RTBURBONSA-N 1 0 424.545 4.414 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500846295 910120513 /nfs/dbraw/zinc/12/05/13/910120513.db2.gz YZDSQJYFKDOWFC-QAPCUYQASA-N 1 0 422.510 4.284 20 5 HIBDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000513101940 921550101 /nfs/dbraw/zinc/55/01/01/921550101.db2.gz VIRPKSUGDRRJID-MHZLTWQESA-N 1 0 400.525 4.492 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513213348 921628114 /nfs/dbraw/zinc/62/81/14/921628114.db2.gz CNLIXRBOTAUPMT-LJQANCHMSA-N 1 0 410.392 4.114 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502318594 911290561 /nfs/dbraw/zinc/29/05/61/911290561.db2.gz IEXNXDVINYZBSW-AOCRQIFASA-N 1 0 405.564 4.235 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)CC1 ZINC000502771718 911794934 /nfs/dbraw/zinc/79/49/34/911794934.db2.gz MPXKBUSALABEPH-UHFFFAOYSA-N 1 0 414.550 4.312 20 5 HIBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000502998250 911974365 /nfs/dbraw/zinc/97/43/65/911974365.db2.gz KHANVVLFDOGJIQ-PMACEKPBSA-N 1 0 416.569 4.019 20 5 HIBDRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506341357 914959873 /nfs/dbraw/zinc/95/98/73/914959873.db2.gz KFZYWNKAXOIMEU-HNNXBMFYSA-N 1 0 414.483 4.451 20 5 HIBDRO O=C(c1cccc(F)c1)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506443197 915044861 /nfs/dbraw/zinc/04/48/61/915044861.db2.gz KOPCHMFYXLOHCU-UHFFFAOYSA-N 1 0 423.444 4.342 20 5 HIBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507266690 916029562 /nfs/dbraw/zinc/02/95/62/916029562.db2.gz KDQQTNOLQJYBFM-IIMJZQEZSA-N 1 0 417.893 4.190 20 5 HIBDRO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507481952 916248984 /nfs/dbraw/zinc/24/89/84/916248984.db2.gz DMHHQOQQFQBYRX-HUUCEWRRSA-N 1 0 403.504 4.011 20 5 HIBDRO CCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000507554364 916310477 /nfs/dbraw/zinc/31/04/77/916310477.db2.gz UXZDGQQUGITOPY-KBPBESRZSA-N 1 0 403.504 4.393 20 5 HIBDRO COc1cc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)c([N+](=O)[O-])cc1O ZINC000507897386 916758099 /nfs/dbraw/zinc/75/80/99/916758099.db2.gz SJFVMTMPWZSONE-UHFFFAOYSA-N 1 0 406.438 4.201 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)c1 ZINC000508042986 916870812 /nfs/dbraw/zinc/87/08/12/916870812.db2.gz SDMPOTINOOPNCX-KRWDZBQOSA-N 1 0 400.385 4.270 20 5 HIBDRO COc1ccc(-c2ccc(C[N@H+](Cc3ccc(C(N)=O)cc3)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000508667783 917432450 /nfs/dbraw/zinc/43/24/50/917432450.db2.gz UPVUQGWYKHFMGD-UHFFFAOYSA-N 1 0 421.453 4.127 20 5 HIBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000508783673 917537963 /nfs/dbraw/zinc/53/79/63/917537963.db2.gz DADQKOXPUPEYRK-UHFFFAOYSA-N 1 0 401.466 4.430 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000508898896 917654846 /nfs/dbraw/zinc/65/48/46/917654846.db2.gz SBCWOFCHDQXSEV-VGOFRKELSA-N 1 0 410.518 4.269 20 5 HIBDRO CCNc1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000509215411 917916522 /nfs/dbraw/zinc/91/65/22/917916522.db2.gz LYGHZPXXXGSPDV-UHFFFAOYSA-N 1 0 414.531 4.136 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CC)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000509574905 918225234 /nfs/dbraw/zinc/22/52/34/918225234.db2.gz KTWDBWAZWPMSRJ-SFHVURJKSA-N 1 0 416.522 4.199 20 5 HIBDRO COc1ccc(C[NH2+]CCN2CCCC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509614640 918262402 /nfs/dbraw/zinc/26/24/02/918262402.db2.gz BYNYJLRSMXMRHW-GOSISDBHSA-N 1 0 413.518 4.146 20 5 HIBDRO Cc1c(Br)cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000509698209 918328842 /nfs/dbraw/zinc/32/88/42/918328842.db2.gz KTNSXATWIRJMDE-CYBMUJFWSA-N 1 0 412.328 4.050 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000510025611 918601945 /nfs/dbraw/zinc/60/19/45/918601945.db2.gz HPUVVBOGBPGUMW-UHFFFAOYSA-N 1 0 416.909 4.421 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+](C)C ZINC000510556075 919001089 /nfs/dbraw/zinc/00/10/89/919001089.db2.gz XFNMAERMIDIRKL-OSPHWJPCSA-N 1 0 413.521 4.411 20 5 HIBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000510572387 919015246 /nfs/dbraw/zinc/01/52/46/919015246.db2.gz USFDGPJYAWMHLM-UHFFFAOYSA-N 1 0 410.518 4.013 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000510822337 919300970 /nfs/dbraw/zinc/30/09/70/919300970.db2.gz UPUXJAGMNHHAEB-LJQANCHMSA-N 1 0 424.545 4.211 20 5 HIBDRO COc1cc(C[N@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000511648260 920314235 /nfs/dbraw/zinc/31/42/35/920314235.db2.gz OQYFMIBUFADORE-UHFFFAOYSA-N 1 0 410.392 4.144 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000511713201 920379176 /nfs/dbraw/zinc/37/91/76/920379176.db2.gz CZYKBFLVMUBCBH-FQEVSTJZSA-N 1 0 413.543 4.347 20 5 HIBDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000511727215 920392694 /nfs/dbraw/zinc/39/26/94/920392694.db2.gz MJLGACDQYOFVKJ-HRAATJIYSA-N 1 0 413.493 4.254 20 5 HIBDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000511727219 920393775 /nfs/dbraw/zinc/39/37/75/920393775.db2.gz MJLGACDQYOFVKJ-IIBYNOLFSA-N 1 0 413.493 4.254 20 5 HIBDRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000511802577 920498040 /nfs/dbraw/zinc/49/80/40/920498040.db2.gz QDOHNODQPRHQAR-VQTJNVASSA-N 1 0 407.495 4.054 20 5 HIBDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000512078646 920843269 /nfs/dbraw/zinc/84/32/69/920843269.db2.gz UXIGOQYWFQSLQP-UWJYYQICSA-N 1 0 410.518 4.256 20 5 HIBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000513473312 921832671 /nfs/dbraw/zinc/83/26/71/921832671.db2.gz VSPKXGFJSHKACP-ZDUSSCGKSA-N 1 0 410.417 4.276 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513496774 921847240 /nfs/dbraw/zinc/84/72/40/921847240.db2.gz KJKLMZUDQLECTG-SFHVURJKSA-N 1 0 400.475 4.041 20 5 HIBDRO CC[NH+](CC)[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513761809 922079450 /nfs/dbraw/zinc/07/94/50/922079450.db2.gz OWQDNOGLPHIVJW-YADHBBJMSA-N 1 0 407.518 4.090 20 5 HIBDRO O=C1CCCN1C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000513788346 922114289 /nfs/dbraw/zinc/11/42/89/922114289.db2.gz PIYBANWGDMLYLI-FCEUIQTBSA-N 1 0 407.514 4.259 20 5 HIBDRO O=C1CCCN1C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000513788347 922114732 /nfs/dbraw/zinc/11/47/32/922114732.db2.gz PIYBANWGDMLYLI-HJNYFJLDSA-N 1 0 407.514 4.259 20 5 HIBDRO COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000513789000 922117327 /nfs/dbraw/zinc/11/73/27/922117327.db2.gz BAUMNPFTOKNASX-HARLFGEKSA-N 1 0 420.513 4.427 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513857660 922184212 /nfs/dbraw/zinc/18/42/12/922184212.db2.gz OJYDTNURXHKPPF-CIQXWFTPSA-N 1 0 421.497 4.130 20 5 HIBDRO CCC1(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000514059029 922381987 /nfs/dbraw/zinc/38/19/87/922381987.db2.gz HHMYASLEGOPKBJ-UHFFFAOYSA-N 1 0 411.502 4.026 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000514105378 922434676 /nfs/dbraw/zinc/43/46/76/922434676.db2.gz QZVOXEBHQZCKSM-QFIPXVFZSA-N 1 0 407.518 4.049 20 5 HIBDRO CC(C)(CO)[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccs1 ZINC000514634572 922736920 /nfs/dbraw/zinc/73/69/20/922736920.db2.gz APONYIVYPUJLLW-LJQANCHMSA-N 1 0 401.488 4.203 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)[NH+]2CCCCC2)cc1 ZINC000515106176 922918317 /nfs/dbraw/zinc/91/83/17/922918317.db2.gz KHZBOKNTLLGWDY-OAQYLSRUSA-N 1 0 412.490 4.261 20 5 HIBDRO O=[N+]([O-])c1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(-c2cccs2)c1 ZINC000516320654 923662175 /nfs/dbraw/zinc/66/21/75/923662175.db2.gz WKHAGRWIVDKQCR-IBGZPJMESA-N 1 0 410.495 4.121 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000516551661 923791393 /nfs/dbraw/zinc/79/13/93/923791393.db2.gz JITKABSPPHGKEQ-QFIPXVFZSA-N 1 0 410.518 4.209 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000516553343 923792548 /nfs/dbraw/zinc/79/25/48/923792548.db2.gz OWIZEGGWQZBJHK-ROUUACIJSA-N 1 0 410.518 4.072 20 5 HIBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C2 ZINC000517538884 924252650 /nfs/dbraw/zinc/25/26/50/924252650.db2.gz RKKHVHFBLWFBNR-GOSISDBHSA-N 1 0 408.433 4.272 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000517545424 924257023 /nfs/dbraw/zinc/25/70/23/924257023.db2.gz PGVLBHPNPQGDFX-UHFFFAOYSA-N 1 0 407.470 4.024 20 5 HIBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000517600055 926709493 /nfs/dbraw/zinc/70/94/93/926709493.db2.gz MQVPSODFJBOOIW-IBGZPJMESA-N 1 0 416.909 4.102 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000517710833 926807576 /nfs/dbraw/zinc/80/75/76/926807576.db2.gz BPPOVZLIQDHQDJ-CQSZACIVSA-N 1 0 410.392 4.364 20 5 HIBDRO COc1c(C)cnc(CN2CCC([N@H+](C)C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000518440795 927273774 /nfs/dbraw/zinc/27/37/74/927273774.db2.gz ASONLCRGDRPXMW-VQHVLOKHSA-N 1 0 424.545 4.225 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H](C)N1CCOCC1 ZINC000518772814 927486837 /nfs/dbraw/zinc/48/68/37/927486837.db2.gz FVKLCOXJUUZZGB-HZPDHXFCSA-N 1 0 419.909 4.239 20 5 HIBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000518934104 927640621 /nfs/dbraw/zinc/64/06/21/927640621.db2.gz GEASTDIRPGPVBE-YQQQUEKLSA-N 1 0 404.470 4.002 20 5 HIBDRO O=C(CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCc2ccccc21 ZINC000518977883 927670711 /nfs/dbraw/zinc/67/07/11/927670711.db2.gz LWKRVAKFYRXPMA-UHFFFAOYSA-N 1 0 405.454 4.314 20 5 HIBDRO CCN1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000519753843 928066099 /nfs/dbraw/zinc/06/60/99/928066099.db2.gz JLHSEEJOVPROIX-XJKSGUPXSA-N 1 0 423.420 4.264 20 5 HIBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3o1)c1ccccc1O2 ZINC000520497535 928601783 /nfs/dbraw/zinc/60/17/83/928601783.db2.gz HJRGGFCZEKMFQE-GOSISDBHSA-N 1 0 421.453 4.059 20 5 HIBDRO COc1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520963505 928892119 /nfs/dbraw/zinc/89/21/19/928892119.db2.gz NGHZJRPEHZGVTJ-NRFANRHFSA-N 1 0 414.502 4.213 20 5 HIBDRO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)oc21 ZINC000520970534 928895872 /nfs/dbraw/zinc/89/58/72/928895872.db2.gz OUNYFIIBZHUZJO-KSSFIOAISA-N 1 0 409.442 4.196 20 5 HIBDRO COC(=O)c1cc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000521002976 928918668 /nfs/dbraw/zinc/91/86/68/928918668.db2.gz ZLTZKNFEUVHAPB-UHFFFAOYSA-N 1 0 411.458 4.010 20 5 HIBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000525292827 930135835 /nfs/dbraw/zinc/13/58/35/930135835.db2.gz IGIJBQIAWHQUHP-CQSZACIVSA-N 1 0 419.934 4.471 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000530728430 930810075 /nfs/dbraw/zinc/81/00/75/930810075.db2.gz XGTWQRSJGAAALT-OLZOCXBDSA-N 1 0 406.280 4.344 20 5 HIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000530857037 930841379 /nfs/dbraw/zinc/84/13/79/930841379.db2.gz JHQIECCGGSITNU-FQEVSTJZSA-N 1 0 416.909 4.199 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531066844 930904411 /nfs/dbraw/zinc/90/44/11/930904411.db2.gz QTRWUGKJGAKPSI-INIZCTEOSA-N 1 0 415.799 4.300 20 5 HIBDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204529 930964947 /nfs/dbraw/zinc/96/49/47/930964947.db2.gz GYZZZCDUNCYIJT-UONOGXRCSA-N 1 0 419.503 4.128 20 5 HIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000532141025 931328103 /nfs/dbraw/zinc/32/81/03/931328103.db2.gz SAHVXPLEGKPAFW-UHFFFAOYSA-N 1 0 404.308 4.112 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(CCO)CCC2)cc1 ZINC000532269971 931377976 /nfs/dbraw/zinc/37/79/76/931377976.db2.gz NASGDHNEMKDINY-UHFFFAOYSA-N 1 0 406.486 4.090 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532615618 931555136 /nfs/dbraw/zinc/55/51/36/931555136.db2.gz FSLYURFLUGDKDL-AOMKIAJQSA-N 1 0 400.475 4.018 20 5 HIBDRO COc1ccc2cc(C[N@H+](C)CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)ccc2c1 ZINC000532739000 931618564 /nfs/dbraw/zinc/61/85/64/931618564.db2.gz MCAAZDHGOXMFFZ-UHFFFAOYSA-N 1 0 421.453 4.187 20 5 HIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000532968525 931719340 /nfs/dbraw/zinc/71/93/40/931719340.db2.gz JZFJIBIHPXDELH-CQSZACIVSA-N 1 0 420.307 4.167 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@]3(O)CCOC3)cc2[N+](=O)[O-])c1 ZINC000533177909 931802687 /nfs/dbraw/zinc/80/26/87/931802687.db2.gz LZOVOSOQXNXWJB-JOCHJYFZSA-N 1 0 400.475 4.060 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000533385189 931854500 /nfs/dbraw/zinc/85/45/00/931854500.db2.gz RAZOIVVTOAINKD-UHFFFAOYSA-N 1 0 417.893 4.181 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533420836 931863502 /nfs/dbraw/zinc/86/35/02/931863502.db2.gz PUVOGTJTNUFXJR-NZQKXSOJSA-N 1 0 422.529 4.143 20 5 HIBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000534959412 932860239 /nfs/dbraw/zinc/86/02/39/932860239.db2.gz GZXBLSPGCLDZNT-NQIIRXRSSA-N 1 0 418.497 4.203 20 5 HIBDRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534984347 932875582 /nfs/dbraw/zinc/87/55/82/932875582.db2.gz GRXRFSSAXLGSHQ-LJQANCHMSA-N 1 0 412.877 4.296 20 5 HIBDRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534984340 932875591 /nfs/dbraw/zinc/87/55/91/932875591.db2.gz GRXRFSSAXLGSHQ-IBGZPJMESA-N 1 0 412.877 4.296 20 5 HIBDRO COc1ccc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535765452 933378849 /nfs/dbraw/zinc/37/88/49/933378849.db2.gz UZVMDSZNEQKCEQ-HZPDHXFCSA-N 1 0 400.475 4.228 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC(F)(F)F)ccc1Oc1ccccc1Cl ZINC000536001145 933560669 /nfs/dbraw/zinc/56/06/69/933560669.db2.gz ARUYGMARRYQTNC-GFCCVEGCSA-N 1 0 404.772 4.443 20 5 HIBDRO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562925876 945153981 /nfs/dbraw/zinc/15/39/81/945153981.db2.gz GMUKNOOSCLWBLU-APWZRJJASA-N 1 0 401.532 4.349 20 5 HIBDRO COc1cc(C[N@H+](C)[C@H](CO)C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537659765 938348241 /nfs/dbraw/zinc/34/82/41/938348241.db2.gz PUYSLXJSGMTQEC-OAQYLSRUSA-N 1 0 402.491 4.021 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000537661689 938349076 /nfs/dbraw/zinc/34/90/76/938349076.db2.gz MUUSEFNFISHAHP-OXQOHEQNSA-N 1 0 401.532 4.394 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000537661680 938349176 /nfs/dbraw/zinc/34/91/76/938349176.db2.gz MUUSEFNFISHAHP-JXFKEZNVSA-N 1 0 401.532 4.394 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 ZINC000537775185 938374385 /nfs/dbraw/zinc/37/43/85/938374385.db2.gz YOASKGJWWDFQRU-PGRDOPGGSA-N 1 0 414.527 4.482 20 5 HIBDRO O=C1CCCN1C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000538121690 938509310 /nfs/dbraw/zinc/50/93/10/938509310.db2.gz FPAOPKSBRGBCKR-IBGZPJMESA-N 1 0 421.419 4.109 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538125709 938511843 /nfs/dbraw/zinc/51/18/43/938511843.db2.gz YVPACWBUSNWLMM-ICSRJNTNSA-N 1 0 400.475 4.087 20 5 HIBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000538155506 938526037 /nfs/dbraw/zinc/52/60/37/938526037.db2.gz YFWGCNGYXADSCE-KRWDZBQOSA-N 1 0 410.474 4.337 20 5 HIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(C)cc1 ZINC000538156122 938526927 /nfs/dbraw/zinc/52/69/27/938526927.db2.gz UKNJGKMTIFHJLS-MRXNPFEDSA-N 1 0 406.280 4.345 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000538163709 938530770 /nfs/dbraw/zinc/53/07/70/938530770.db2.gz QULAPAYFZZFQSD-OLZOCXBDSA-N 1 0 411.380 4.214 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000538323805 938592626 /nfs/dbraw/zinc/59/26/26/938592626.db2.gz VVOHAUSPERONTM-NRFANRHFSA-N 1 0 401.438 4.120 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538720206 938690112 /nfs/dbraw/zinc/69/01/12/938690112.db2.gz MEKUMLOASOIZPJ-SFHVURJKSA-N 1 0 422.460 4.229 20 5 HIBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538730853 938695015 /nfs/dbraw/zinc/69/50/15/938695015.db2.gz VUKLLBVNUHCHHO-QGZVFWFLSA-N 1 0 405.445 4.150 20 5 HIBDRO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538734306 938696722 /nfs/dbraw/zinc/69/67/22/938696722.db2.gz OXEKNGSIMFBXJQ-UHFFFAOYSA-N 1 0 406.486 4.441 20 5 HIBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000538762643 938704091 /nfs/dbraw/zinc/70/40/91/938704091.db2.gz AHSDNWVFEIVPOV-IBGZPJMESA-N 1 0 400.475 4.041 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000538763018 938705012 /nfs/dbraw/zinc/70/50/12/938705012.db2.gz YUTKSYKKKFLHBX-CQSZACIVSA-N 1 0 417.531 4.327 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000539077855 938796861 /nfs/dbraw/zinc/79/68/61/938796861.db2.gz MSSMYQIDNRBOFS-QGZVFWFLSA-N 1 0 402.539 4.012 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000539120439 938805693 /nfs/dbraw/zinc/80/56/93/938805693.db2.gz MQCRPFQTGPPYGK-OAHLLOKOSA-N 1 0 401.467 4.180 20 5 HIBDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000539232539 938822615 /nfs/dbraw/zinc/82/26/15/938822615.db2.gz IAKRGHOSNLZRSP-ZDUSSCGKSA-N 1 0 412.471 4.016 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539253479 938827036 /nfs/dbraw/zinc/82/70/36/938827036.db2.gz MHPMSDZLGFQFPV-IRXDYDNUSA-N 1 0 420.469 4.247 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000539410550 938856718 /nfs/dbraw/zinc/85/67/18/938856718.db2.gz MPVLYANGVNMQNV-FQEVSTJZSA-N 1 0 411.502 4.197 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539635535 938891488 /nfs/dbraw/zinc/89/14/88/938891488.db2.gz SYYPPJVRDQZAIK-HUUCEWRRSA-N 1 0 420.428 4.228 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1CC1 ZINC000539650297 938893796 /nfs/dbraw/zinc/89/37/96/938893796.db2.gz MGBUXXFRVHPHPR-HSZRJFAPSA-N 1 0 409.530 4.232 20 5 HIBDRO Cc1ccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000539838422 938953608 /nfs/dbraw/zinc/95/36/08/938953608.db2.gz PUVQJUGCKQFJMA-UHFFFAOYSA-N 1 0 407.514 4.306 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)C1CC1 ZINC000540181441 939108860 /nfs/dbraw/zinc/10/88/60/939108860.db2.gz HNHIRUXUYFLYQS-QGZVFWFLSA-N 1 0 400.429 4.493 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC000540194432 939119486 /nfs/dbraw/zinc/11/94/86/939119486.db2.gz IJFPEEQOLAESHY-HNNXBMFYSA-N 1 0 407.264 4.369 20 5 HIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000540350784 939202598 /nfs/dbraw/zinc/20/25/98/939202598.db2.gz DAPKXOSUTXUPPP-RHSMWYFYSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1-n1cccn1 ZINC000540360442 939209679 /nfs/dbraw/zinc/20/96/79/939209679.db2.gz PRIOYLLAOYSZLK-INIZCTEOSA-N 1 0 403.442 4.329 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC(C)C ZINC000540364414 939211281 /nfs/dbraw/zinc/21/12/81/939211281.db2.gz BXQLVRINNFPNDB-MRXNPFEDSA-N 1 0 415.490 4.236 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000540376696 939217049 /nfs/dbraw/zinc/21/70/49/939217049.db2.gz RILOJZBTPRFEOS-OAHLLOKOSA-N 1 0 409.364 4.176 20 5 HIBDRO O=C(C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000540377882 939218335 /nfs/dbraw/zinc/21/83/35/939218335.db2.gz ZRNOCTMJNMKNAO-LJQANCHMSA-N 1 0 418.291 4.427 20 5 HIBDRO C[C@@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540377743 939218608 /nfs/dbraw/zinc/21/86/08/939218608.db2.gz UMTNUXGQGIWPIG-JPYJTQIMSA-N 1 0 406.482 4.413 20 5 HIBDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000540402572 939235375 /nfs/dbraw/zinc/23/53/75/939235375.db2.gz HWNBOPVYVUBTAY-CYBMUJFWSA-N 1 0 417.487 4.113 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000540409022 939238137 /nfs/dbraw/zinc/23/81/37/939238137.db2.gz GXOXCXZIKVZJHV-FQEVSTJZSA-N 1 0 411.408 4.046 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000540433453 939246813 /nfs/dbraw/zinc/24/68/13/939246813.db2.gz RIXARQAYLZEAEX-FQEVSTJZSA-N 1 0 403.454 4.448 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000540476788 939268461 /nfs/dbraw/zinc/26/84/61/939268461.db2.gz RIWKEBYPRSEHOK-MRXNPFEDSA-N 1 0 419.485 4.256 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000540760757 939362991 /nfs/dbraw/zinc/36/29/91/939362991.db2.gz PCRXRKXTXYVYHK-QGZVFWFLSA-N 1 0 405.564 4.291 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1OC ZINC000541056291 939444247 /nfs/dbraw/zinc/44/42/47/939444247.db2.gz HMMITGYICDSYBO-OKZBNKHCSA-N 1 0 406.523 4.277 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541541058 939548068 /nfs/dbraw/zinc/54/80/68/939548068.db2.gz AGGBJNZAUVKSMF-OAHLLOKOSA-N 1 0 416.909 4.355 20 5 HIBDRO COc1ccc(C2(C[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000541554957 939554496 /nfs/dbraw/zinc/55/44/96/939554496.db2.gz CRMLDRNOMKCCEN-UHFFFAOYSA-N 1 0 406.486 4.215 20 5 HIBDRO Cc1c(Br)c(NCc2ccc(C[NH+]3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000541590909 939561800 /nfs/dbraw/zinc/56/18/00/939561800.db2.gz SQCKYYZWPGPYKQ-UHFFFAOYSA-N 1 0 405.296 4.269 20 5 HIBDRO C[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541730510 939615825 /nfs/dbraw/zinc/61/58/25/939615825.db2.gz WKKMBXWZXMZDRI-HOTGVXAUSA-N 1 0 415.465 4.197 20 5 HIBDRO C[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541730509 939615841 /nfs/dbraw/zinc/61/58/41/939615841.db2.gz WKKMBXWZXMZDRI-CVEARBPZSA-N 1 0 415.465 4.197 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000541985781 939670351 /nfs/dbraw/zinc/67/03/51/939670351.db2.gz NLGPISMRVYTUNZ-LNLFQRSKSA-N 1 0 407.555 4.333 20 5 HIBDRO Cc1cc(N2CCC(n3cc(Br)cn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542118952 939720420 /nfs/dbraw/zinc/72/04/20/939720420.db2.gz CAKBLVNEWACFRH-UHFFFAOYSA-N 1 0 416.279 4.252 20 5 HIBDRO COc1cc(C[NH+]2CCC(c3ccc(C)nc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000542132832 939724763 /nfs/dbraw/zinc/72/47/63/939724763.db2.gz AXOXEQVBTJHMHU-UHFFFAOYSA-N 1 0 407.417 4.288 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000542358888 939807102 /nfs/dbraw/zinc/80/71/02/939807102.db2.gz KBMOOGPWDLLOFS-UHFFFAOYSA-N 1 0 413.971 4.311 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542479149 939830133 /nfs/dbraw/zinc/83/01/33/939830133.db2.gz RPMIBUVFUMQBLZ-QFIPXVFZSA-N 1 0 423.469 4.327 20 5 HIBDRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542510599 939834813 /nfs/dbraw/zinc/83/48/13/939834813.db2.gz MAALXQQSRGDWLZ-AOIWGVFYSA-N 1 0 413.493 4.349 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000542591297 939847090 /nfs/dbraw/zinc/84/70/90/939847090.db2.gz SXXBLAYZNODRHY-CQSZACIVSA-N 1 0 422.510 4.267 20 5 HIBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542618352 939849204 /nfs/dbraw/zinc/84/92/04/939849204.db2.gz FYRNYYATZXJSKF-INIZCTEOSA-N 1 0 403.548 4.091 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000542915966 939877081 /nfs/dbraw/zinc/87/70/81/939877081.db2.gz UCFOJNIYQUAYSY-HZPDHXFCSA-N 1 0 402.495 4.131 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCCO1 ZINC000543491747 940082417 /nfs/dbraw/zinc/08/24/17/940082417.db2.gz BJGDHMWEGHXKEB-DFQSSKMNSA-N 1 0 417.893 4.475 20 5 HIBDRO COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c(C)c2c1 ZINC000543512141 940090497 /nfs/dbraw/zinc/09/04/97/940090497.db2.gz RIPYVUHIFOUPOJ-AUUYWEPGSA-N 1 0 409.442 4.114 20 5 HIBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000543519877 940094995 /nfs/dbraw/zinc/09/49/95/940094995.db2.gz LQWZSNSKLPCKFE-ZDUSSCGKSA-N 1 0 410.499 4.285 20 5 HIBDRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543537565 940097988 /nfs/dbraw/zinc/09/79/88/940097988.db2.gz AZGAEARMLFAUGM-IAGOWNOFSA-N 1 0 413.493 4.386 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000543951861 940265984 /nfs/dbraw/zinc/26/59/84/940265984.db2.gz OFDGTDUSOCQYLP-UHFFFAOYSA-N 1 0 413.465 4.170 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000543991177 940286831 /nfs/dbraw/zinc/28/68/31/940286831.db2.gz MDDVARQGHPMBLU-INIZCTEOSA-N 1 0 410.478 4.095 20 5 HIBDRO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000544417095 940417713 /nfs/dbraw/zinc/41/77/13/940417713.db2.gz OLYUONIAQIABCG-HRAATJIYSA-N 1 0 410.449 4.208 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)c1ccccc1C(F)(F)F ZINC000544453772 940437587 /nfs/dbraw/zinc/43/75/87/940437587.db2.gz QKSQLKZSVOHACU-ZIAGYGMSSA-N 1 0 421.419 4.285 20 5 HIBDRO C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000544511013 940462230 /nfs/dbraw/zinc/46/22/30/940462230.db2.gz NYQKYXKNEUVGTR-VBKZILBWSA-N 1 0 419.884 4.444 20 5 HIBDRO C[C@](O)(C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1)C(F)(F)F ZINC000545244470 940558231 /nfs/dbraw/zinc/55/82/31/940558231.db2.gz IRRQVYPDSKVNEC-KRWDZBQOSA-N 1 0 415.437 4.244 20 5 HIBDRO CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545518741 940572835 /nfs/dbraw/zinc/57/28/35/940572835.db2.gz UUHIYDUJGZWHGQ-QFIPXVFZSA-N 1 0 406.486 4.346 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000545569090 940575088 /nfs/dbraw/zinc/57/50/88/940575088.db2.gz YIOGHBXXJDVYPN-UHFFFAOYSA-N 1 0 412.446 4.041 20 5 HIBDRO C[NH+](C)Cc1cc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)ccc1F ZINC000545753797 940583949 /nfs/dbraw/zinc/58/39/49/940583949.db2.gz WRKBTKCGMFNNDL-UHFFFAOYSA-N 1 0 411.437 4.113 20 5 HIBDRO CCOC(=O)c1cc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)cc([N+](=O)[O-])c1 ZINC000546237798 940740383 /nfs/dbraw/zinc/74/03/83/940740383.db2.gz WOYUHGHHCOPWKC-UHFFFAOYSA-N 1 0 422.441 4.084 20 5 HIBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546887643 940901315 /nfs/dbraw/zinc/90/13/15/940901315.db2.gz BYASTQODSPQUQI-KRWDZBQOSA-N 1 0 402.882 4.377 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC4(CCOCC4)[C@H]3O)o2)c(Cl)c1 ZINC000548991878 941139662 /nfs/dbraw/zinc/13/96/62/941139662.db2.gz WSBNNBJFQDRTTR-VLIAUNLRSA-N 1 0 420.893 4.166 20 5 HIBDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3c(Cl)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549477252 941194632 /nfs/dbraw/zinc/19/46/32/941194632.db2.gz PZNKMHCPKKWVOL-CTNGQTDRSA-N 1 0 401.894 4.324 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000550457104 941329497 /nfs/dbraw/zinc/32/94/97/941329497.db2.gz MDZNZFKFZQMUSH-UHFFFAOYSA-N 1 0 420.513 4.167 20 5 HIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000550659596 941351277 /nfs/dbraw/zinc/35/12/77/941351277.db2.gz UHTDUYIARAKIIX-AWEZNQCLSA-N 1 0 403.445 4.134 20 5 HIBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000551039937 941399224 /nfs/dbraw/zinc/39/92/24/941399224.db2.gz QIRVPZYWGODMCQ-BFYDXBDKSA-N 1 0 414.449 4.110 20 5 HIBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)nc1 ZINC000551557702 941501164 /nfs/dbraw/zinc/50/11/64/941501164.db2.gz GYJHEKDMWFBPJL-HNNXBMFYSA-N 1 0 415.906 4.453 20 5 HIBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000551568876 941503391 /nfs/dbraw/zinc/50/33/91/941503391.db2.gz AFSVBSDASKUYPE-MGPUTAFESA-N 1 0 422.909 4.288 20 5 HIBDRO CC[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551778291 941543845 /nfs/dbraw/zinc/54/38/45/941543845.db2.gz BFVZGPOHMBYWHK-KRWDZBQOSA-N 1 0 416.421 4.258 20 5 HIBDRO CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551778292 941543990 /nfs/dbraw/zinc/54/39/90/941543990.db2.gz BFVZGPOHMBYWHK-QGZVFWFLSA-N 1 0 416.421 4.258 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1[N+](=O)[O-] ZINC000551812789 941550181 /nfs/dbraw/zinc/55/01/81/941550181.db2.gz XUFBYBGIJGHELU-LSDHHAIUSA-N 1 0 406.504 4.199 20 5 HIBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)cn1 ZINC000552077083 941580605 /nfs/dbraw/zinc/58/06/05/941580605.db2.gz VXLPHSVUIZQHDX-QGZVFWFLSA-N 1 0 410.449 4.324 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552085101 941581547 /nfs/dbraw/zinc/58/15/47/941581547.db2.gz PGTCFKWFCOPJNR-QFIPXVFZSA-N 1 0 412.486 4.062 20 5 HIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC3 ZINC000552281949 941621633 /nfs/dbraw/zinc/62/16/33/941621633.db2.gz PSTXASNVBSCSSO-SBUREZEXSA-N 1 0 415.497 4.355 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000552351550 941641592 /nfs/dbraw/zinc/64/15/92/941641592.db2.gz XYZDADCKIJXKCV-JOCHJYFZSA-N 1 0 411.527 4.055 20 5 HIBDRO CCC[N@H+](C)[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553027138 941819467 /nfs/dbraw/zinc/81/94/67/941819467.db2.gz OPVPWGPQOVFWAY-QGZVFWFLSA-N 1 0 405.882 4.070 20 5 HIBDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553543495 941905553 /nfs/dbraw/zinc/90/55/53/941905553.db2.gz ZMVUQCQYSURWND-YVEFUNNKSA-N 1 0 412.321 4.154 20 5 HIBDRO Cc1cc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553611106 941920936 /nfs/dbraw/zinc/92/09/36/941920936.db2.gz JBPSVQGBUOBFBZ-WAIKUNEKSA-N 1 0 419.485 4.345 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000553929787 942001410 /nfs/dbraw/zinc/00/14/10/942001410.db2.gz PDBDNIAOFHAQLK-SFHVURJKSA-N 1 0 413.478 4.110 20 5 HIBDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000554015892 942019943 /nfs/dbraw/zinc/01/99/43/942019943.db2.gz KMHGBZYWOWHDTM-YCRPNKLZSA-N 1 0 417.481 4.044 20 5 HIBDRO CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554251710 942079087 /nfs/dbraw/zinc/07/90/87/942079087.db2.gz DFYSVKOTJLGTLM-DFNIBXOVSA-N 1 0 410.474 4.476 20 5 HIBDRO O=C(CC[NH2+]CCc1nc2cc(Cl)ccc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000554527250 942163881 /nfs/dbraw/zinc/16/38/81/942163881.db2.gz SLKNCWKRSUINJH-UHFFFAOYSA-N 1 0 404.879 4.019 20 5 HIBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000554788517 942238038 /nfs/dbraw/zinc/23/80/38/942238038.db2.gz FFEWCSYOKBHDEY-UHFFFAOYSA-N 1 0 417.469 4.414 20 5 HIBDRO CCc1nc2cc(C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)ccc2n1C1CC1 ZINC000555226194 942437141 /nfs/dbraw/zinc/43/71/41/942437141.db2.gz QZJOPRJUUUMWSV-HKUYNNGSSA-N 1 0 408.506 4.312 20 5 HIBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000556474410 942879520 /nfs/dbraw/zinc/87/95/20/942879520.db2.gz IHLNDBZTYUYGIA-AWEZNQCLSA-N 1 0 409.408 4.254 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556857197 942940926 /nfs/dbraw/zinc/94/09/26/942940926.db2.gz MFNQAFMHMAPIMK-JOCHJYFZSA-N 1 0 407.518 4.048 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000556870238 942945785 /nfs/dbraw/zinc/94/57/85/942945785.db2.gz FGEMCOIUPRCRSN-UWJYYQICSA-N 1 0 407.518 4.137 20 5 HIBDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000556887710 942952337 /nfs/dbraw/zinc/95/23/37/942952337.db2.gz CDHDOLNLYNTHKI-UHFFFAOYSA-N 1 0 420.513 4.500 20 5 HIBDRO 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 943360870 /nfs/dbraw/zinc/36/08/70/943360870.db2.gz XRKALXYKMQLZAI-SPEDKVCISA-N 1 0 422.529 4.009 20 5 HIBDRO CCc1[nH+]c2ccccc2c(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1C ZINC000558392069 943543671 /nfs/dbraw/zinc/54/36/71/943543671.db2.gz GDDCXSVVZRQDSD-UHFFFAOYSA-N 1 0 410.499 4.038 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000558576483 943604527 /nfs/dbraw/zinc/60/45/27/943604527.db2.gz BNYGFURFHWMZJU-OAQYLSRUSA-N 1 0 422.485 4.134 20 5 HIBDRO COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000558790257 943664348 /nfs/dbraw/zinc/66/43/48/943664348.db2.gz LIDFOIACFYMRJG-BTTYYORXSA-N 1 0 420.428 4.228 20 5 HIBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000559951401 944097242 /nfs/dbraw/zinc/09/72/42/944097242.db2.gz OFCALQMBNCDTHG-UHFFFAOYSA-N 1 0 418.881 4.043 20 5 HIBDRO COc1ccc(NC(=O)CC[NH+]2CCC(Cc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000562047047 944909306 /nfs/dbraw/zinc/90/93/06/944909306.db2.gz MTKGDAQRBDPDKV-UHFFFAOYSA-N 1 0 415.465 4.026 20 5 HIBDRO COc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1OCC(F)(F)F ZINC000564121052 945387625 /nfs/dbraw/zinc/38/76/25/945387625.db2.gz ZIKWEFXEVYJRMV-UHFFFAOYSA-N 1 0 423.391 4.358 20 5 HIBDRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000564152504 945402876 /nfs/dbraw/zinc/40/28/76/945402876.db2.gz NHSJMUPUEMEFIA-OAHLLOKOSA-N 1 0 409.490 4.499 20 5 HIBDRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000564152502 945403197 /nfs/dbraw/zinc/40/31/97/945403197.db2.gz NHSJMUPUEMEFIA-HNNXBMFYSA-N 1 0 409.490 4.499 20 5 HIBDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000564311441 945511789 /nfs/dbraw/zinc/51/17/89/945511789.db2.gz XIBSKNWSZSBSGT-HXUWFJFHSA-N 1 0 422.485 4.047 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000565141554 945787018 /nfs/dbraw/zinc/78/70/18/945787018.db2.gz KJRZTIAYXHZXGZ-ZBFHGGJFSA-N 1 0 409.408 4.323 20 5 HIBDRO Nc1nccc([C@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 ZINC000565331207 945812632 /nfs/dbraw/zinc/81/26/32/945812632.db2.gz GPNAWSHAMQBXPE-ZDUSSCGKSA-N 1 0 413.865 4.260 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000565455131 945835409 /nfs/dbraw/zinc/83/54/09/945835409.db2.gz PVHRNNDDWSPYPE-MRXNPFEDSA-N 1 0 423.517 4.047 20 5 HIBDRO COc1cc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc([N+](=O)[O-])c1C ZINC000565675014 945863950 /nfs/dbraw/zinc/86/39/50/945863950.db2.gz SXMIXWJRVZTGHP-UHFFFAOYSA-N 1 0 423.513 4.040 20 5 HIBDRO Cc1cc(N2CCN(C(=O)c3cc4occc4s3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000566341141 946005193 /nfs/dbraw/zinc/00/51/93/946005193.db2.gz YMNKLKYNSDUJPM-UHFFFAOYSA-N 1 0 422.466 4.222 20 5 HIBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000566706253 946078173 /nfs/dbraw/zinc/07/81/73/946078173.db2.gz WIKZYPGPPORSKY-HSZRJFAPSA-N 1 0 414.502 4.167 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000568451794 946556477 /nfs/dbraw/zinc/55/64/77/946556477.db2.gz RCRDHOIRGVPJSE-CQSZACIVSA-N 1 0 414.268 4.428 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3csc(COc4ccccc4)n3)c2c1 ZINC000568556656 946594254 /nfs/dbraw/zinc/59/42/54/946594254.db2.gz KZSZHGMIIPPQAH-UHFFFAOYSA-N 1 0 408.483 4.444 20 5 HIBDRO COc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000569585827 946893317 /nfs/dbraw/zinc/89/33/17/946893317.db2.gz DGGIOFAWOCFROB-UHFFFAOYSA-N 1 0 409.364 4.316 20 5 HIBDRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570328538 947205677 /nfs/dbraw/zinc/20/56/77/947205677.db2.gz NRZVHODJBBSXLT-QUCCMNQESA-N 1 0 410.518 4.257 20 5 HIBDRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570328539 947206245 /nfs/dbraw/zinc/20/62/45/947206245.db2.gz NRZVHODJBBSXLT-UYAOXDASSA-N 1 0 410.518 4.257 20 5 HIBDRO CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3ccc(C(C)C)c([N+](=O)[O-])c3)c2)n1 ZINC000574082853 948361210 /nfs/dbraw/zinc/36/12/10/948361210.db2.gz ZMNXZLSWDRESHF-UHFFFAOYSA-N 1 0 422.485 4.370 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000575220643 948635488 /nfs/dbraw/zinc/63/54/88/948635488.db2.gz QFJBENFCKRGIPC-LBPRGKRZSA-N 1 0 424.270 4.484 20 5 HIBDRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967011 948804722 /nfs/dbraw/zinc/80/47/22/948804722.db2.gz NRHZUUXQKYJOOO-KSSFIOAISA-N 1 0 421.419 4.108 20 5 HIBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164619788 719069085 /nfs/dbraw/zinc/06/90/85/719069085.db2.gz COPRVYAQLBJOTO-UZLBHIALSA-N 1 0 423.904 4.292 20 5 HIBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436079874 861360250 /nfs/dbraw/zinc/36/02/50/861360250.db2.gz SYLMFJGJVZKJHF-AWEZNQCLSA-N 1 0 415.484 4.200 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436246827 861556214 /nfs/dbraw/zinc/55/62/14/861556214.db2.gz QXYIDZRIUMERJJ-BBWFWOEESA-N 1 0 421.516 4.298 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2[N+](=O)[O-])cc1 ZINC000014528135 845956605 /nfs/dbraw/zinc/95/66/05/845956605.db2.gz WBNWGSWHDORARQ-UHFFFAOYSA-N 1 0 411.527 4.411 20 5 HIBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000024067091 846783807 /nfs/dbraw/zinc/78/38/07/846783807.db2.gz FIJSARPMQXHPPJ-UHFFFAOYSA-N 1 0 404.470 4.330 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000025697832 847021287 /nfs/dbraw/zinc/02/12/87/847021287.db2.gz PVSQXTBZSGCIKQ-FOIQADDNSA-N 1 0 416.524 4.105 20 5 HIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000028163962 847390943 /nfs/dbraw/zinc/39/09/43/847390943.db2.gz ISRGVIVTZQGWJK-UHFFFAOYSA-N 1 0 408.502 4.046 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000029568078 847580947 /nfs/dbraw/zinc/58/09/47/847580947.db2.gz DMIFRTMSOISSKR-STQMWFEESA-N 1 0 406.280 4.344 20 5 HIBDRO Cc1cccc(N2CC[NH+](CCCCNc3ccc([N+](=O)[O-])c4cnccc34)CC2)c1 ZINC000029587462 847584209 /nfs/dbraw/zinc/58/42/09/847584209.db2.gz DJQIZWAWXFZCOY-UHFFFAOYSA-N 1 0 419.529 4.466 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)o2)cc1 ZINC000029825272 847627207 /nfs/dbraw/zinc/62/72/07/847627207.db2.gz IXZZJPLJYIBHRD-OAHLLOKOSA-N 1 0 405.414 4.166 20 5 HIBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000031232815 847848002 /nfs/dbraw/zinc/84/80/02/847848002.db2.gz HZZJRXLTTYQKJX-IAGOWNOFSA-N 1 0 410.518 4.391 20 5 HIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031416345 847881247 /nfs/dbraw/zinc/88/12/47/847881247.db2.gz JDYODQBBONEANI-UHFFFAOYSA-N 1 0 405.458 4.019 20 5 HIBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+](CC)CC)c2)cc1OC ZINC000031531601 847900982 /nfs/dbraw/zinc/90/09/82/847900982.db2.gz AJKAKYVKWUGXHP-UHFFFAOYSA-N 1 0 401.463 4.096 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+](Cc2cccs2)Cc2cccs2)c1 ZINC000032775815 848074931 /nfs/dbraw/zinc/07/49/31/848074931.db2.gz CFIYZHNJXHRQIL-INIZCTEOSA-N 1 0 404.513 4.160 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000045874040 848745377 /nfs/dbraw/zinc/74/53/77/848745377.db2.gz GXCSLHNJMITSLY-OXQOHEQNSA-N 1 0 401.532 4.275 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133714 849435830 /nfs/dbraw/zinc/43/58/30/849435830.db2.gz LDXXQMSAIPFYAA-AUSIDOKSSA-N 1 0 411.502 4.332 20 5 HIBDRO Cc1c(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000052833948 849633142 /nfs/dbraw/zinc/63/31/42/849633142.db2.gz UWADVBYGYNWPJO-UHFFFAOYSA-N 1 0 405.292 4.461 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053112567 849668588 /nfs/dbraw/zinc/66/85/88/849668588.db2.gz NYWUUPKQWWYFTK-UHFFFAOYSA-N 1 0 411.380 4.083 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000055152137 849978533 /nfs/dbraw/zinc/97/85/33/849978533.db2.gz KVJHWORSORDGQR-GJZGRUSLSA-N 1 0 401.463 4.068 20 5 HIBDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056161821 850264476 /nfs/dbraw/zinc/26/44/76/850264476.db2.gz OFKKFIMKGKQPMO-CVEARBPZSA-N 1 0 415.490 4.378 20 5 HIBDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056161982 850264734 /nfs/dbraw/zinc/26/47/34/850264734.db2.gz NGJNAXDKKVZKJB-GJZGRUSLSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000058952493 850966581 /nfs/dbraw/zinc/96/65/81/850966581.db2.gz VQMWTXUTCHZASM-QGZVFWFLSA-N 1 0 413.543 4.378 20 5 HIBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[NH+]1CCCC1 ZINC000059734043 851009416 /nfs/dbraw/zinc/00/94/16/851009416.db2.gz RAVBKDXZFJKHNO-NRFANRHFSA-N 1 0 402.539 4.143 20 5 HIBDRO COc1ccc(NC(=O)CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000060356402 851076234 /nfs/dbraw/zinc/07/62/34/851076234.db2.gz MAISCPLJORCLNA-UHFFFAOYSA-N 1 0 415.465 4.026 20 5 HIBDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000063483082 851700954 /nfs/dbraw/zinc/70/09/54/851700954.db2.gz QBZMWKYCFJFMRL-FQEVSTJZSA-N 1 0 413.474 4.086 20 5 HIBDRO O=C(NC1CC1)c1ccc(NCc2ccc(C[NH+]3CCCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000063737742 851751426 /nfs/dbraw/zinc/75/14/26/851751426.db2.gz AITXGTNGJDDBMG-UHFFFAOYSA-N 1 0 422.529 4.475 20 5 HIBDRO CC1CCN(c2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000063758169 851755577 /nfs/dbraw/zinc/75/55/77/851755577.db2.gz VBCOZZSNUBGVOT-IBGZPJMESA-N 1 0 416.566 4.216 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000437092909 862283530 /nfs/dbraw/zinc/28/35/30/862283530.db2.gz MRLHRFLPDKYFSS-RUENVJTFSA-N 1 0 400.441 4.379 20 5 HIBDRO CCc1cc(N2CC[N@H+](C)C[C@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905082 852017378 /nfs/dbraw/zinc/01/73/78/852017378.db2.gz NVWWOPZGJHHXNX-NRFANRHFSA-N 1 0 403.486 4.107 20 5 HIBDRO CNC(=O)c1ccc(NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000064914496 852019709 /nfs/dbraw/zinc/01/97/09/852019709.db2.gz SRUPDMVKTBRUHV-IRXDYDNUSA-N 1 0 410.518 4.044 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000065867800 852290773 /nfs/dbraw/zinc/29/07/73/852290773.db2.gz KESCGGLUZWGSHL-GOSISDBHSA-N 1 0 420.513 4.098 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000065876497 852298599 /nfs/dbraw/zinc/29/85/99/852298599.db2.gz OKOCGEVIBPAOLA-UHFFFAOYSA-N 1 0 422.529 4.088 20 5 HIBDRO COC(=O)/C=C/c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000071844762 852416843 /nfs/dbraw/zinc/41/68/43/852416843.db2.gz VRARZKKYIALEPW-KOEDOTQGSA-N 1 0 401.488 4.092 20 5 HIBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000072034653 852477783 /nfs/dbraw/zinc/47/77/83/852477783.db2.gz CUJKZVGLRRTVIJ-UHFFFAOYSA-N 1 0 419.569 4.125 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(CCc4ccc(O)cc4)CC3)o2)cc1 ZINC000105666354 852721244 /nfs/dbraw/zinc/72/12/44/852721244.db2.gz FKZFHXZPKAGSLX-UHFFFAOYSA-N 1 0 408.458 4.195 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000437208664 862399237 /nfs/dbraw/zinc/39/92/37/862399237.db2.gz MPMXZLWVRSJSFW-OAHLLOKOSA-N 1 0 413.440 4.342 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2cccs2)CC1 ZINC000109870954 853026177 /nfs/dbraw/zinc/02/61/77/853026177.db2.gz DSGAQXBWGTYIBO-LJQANCHMSA-N 1 0 412.515 4.341 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000109871560 853027207 /nfs/dbraw/zinc/02/72/07/853027207.db2.gz XHXIVTYOWVNEJF-MRXNPFEDSA-N 1 0 406.486 4.238 20 5 HIBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000115859976 853267888 /nfs/dbraw/zinc/26/78/88/853267888.db2.gz NWTSFECTOOSTRO-CALCHBBNSA-N 1 0 411.502 4.011 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139818561 853422459 /nfs/dbraw/zinc/42/24/59/853422459.db2.gz HILPBXGCYLZCCE-KRWDZBQOSA-N 1 0 417.897 4.162 20 5 HIBDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000150214626 853640244 /nfs/dbraw/zinc/64/02/44/853640244.db2.gz XSIZMDVRRACRJE-HXUWFJFHSA-N 1 0 413.474 4.086 20 5 HIBDRO C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000195542716 853674497 /nfs/dbraw/zinc/67/44/97/853674497.db2.gz GPRRXCHQJUCLQX-UHFFFAOYSA-N 1 0 403.482 4.323 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cscn3)o2)c(Br)c1 ZINC000236568631 853899573 /nfs/dbraw/zinc/89/95/73/853899573.db2.gz GPSJTLKULWIEHA-UHFFFAOYSA-N 1 0 408.277 4.406 20 5 HIBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236873131 853931284 /nfs/dbraw/zinc/93/12/84/853931284.db2.gz AHSQQYVVEHGZBR-CQSZACIVSA-N 1 0 405.882 4.435 20 5 HIBDRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000237074824 853960087 /nfs/dbraw/zinc/96/00/87/853960087.db2.gz AHMKBXGCCLSCEK-UHFFFAOYSA-N 1 0 409.511 4.357 20 5 HIBDRO CN(C)C1(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOCC1 ZINC000237085626 853962170 /nfs/dbraw/zinc/96/21/70/853962170.db2.gz RYGVDIYLTNZCDW-UHFFFAOYSA-N 1 0 419.909 4.241 20 5 HIBDRO COCCN1CCC([NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000237124940 853967895 /nfs/dbraw/zinc/96/78/95/853967895.db2.gz QYIQZDZJYUAKCE-UHFFFAOYSA-N 1 0 415.559 4.255 20 5 HIBDRO COc1ccc(CCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000237247062 853989489 /nfs/dbraw/zinc/98/94/89/853989489.db2.gz HOFVLARWUNOEQB-UHFFFAOYSA-N 1 0 413.499 4.458 20 5 HIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cn1ccnc1 ZINC000237409344 854025915 /nfs/dbraw/zinc/02/59/15/854025915.db2.gz IBWXUSOUIUYDJU-ZDUSSCGKSA-N 1 0 419.279 4.240 20 5 HIBDRO COc1cccc(N2CCC[C@H]([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000237512209 854048098 /nfs/dbraw/zinc/04/80/98/854048098.db2.gz UQNIDMWRIDEBAU-KRWDZBQOSA-N 1 0 424.526 4.486 20 5 HIBDRO C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[N@H+](C)C1CC1 ZINC000237579712 854057671 /nfs/dbraw/zinc/05/76/71/854057671.db2.gz YIUQVNRBZMNQEB-GFCCVEGCSA-N 1 0 408.296 4.190 20 5 HIBDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)cn2)CCO1 ZINC000237596562 854059716 /nfs/dbraw/zinc/05/97/16/854059716.db2.gz LGXPAEHHURATIN-MRXNPFEDSA-N 1 0 424.526 4.233 20 5 HIBDRO Cn1cc(C[NH2+]Cc2sccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237667871 854071939 /nfs/dbraw/zinc/07/19/39/854071939.db2.gz PSTXBYCEODVYRL-UHFFFAOYSA-N 1 0 407.293 4.109 20 5 HIBDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2 ZINC000237707582 854079560 /nfs/dbraw/zinc/07/95/60/854079560.db2.gz LKAWVTUEWXLXKI-MRXNPFEDSA-N 1 0 413.865 4.045 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000237708263 854079978 /nfs/dbraw/zinc/07/99/78/854079978.db2.gz CCMNNVWKSZIEGK-ZDUSSCGKSA-N 1 0 400.788 4.031 20 5 HIBDRO Cn1cc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769214 854092624 /nfs/dbraw/zinc/09/26/24/854092624.db2.gz NECNAFICMNYGIG-XXBNENTESA-N 1 0 406.486 4.253 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237775844 854094580 /nfs/dbraw/zinc/09/45/80/854094580.db2.gz UHHHPLFABPKFPN-UHFFFAOYSA-N 1 0 420.517 4.061 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437279818 862530290 /nfs/dbraw/zinc/53/02/90/862530290.db2.gz FOWXSMTUBZGDLL-GJZGRUSLSA-N 1 0 413.440 4.340 20 5 HIBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1F ZINC000237805804 854101250 /nfs/dbraw/zinc/10/12/50/854101250.db2.gz VFOOPCGQKQBMON-UHFFFAOYSA-N 1 0 417.824 4.167 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000237821286 854103038 /nfs/dbraw/zinc/10/30/38/854103038.db2.gz UZNMMVYADQCXKY-UHFFFAOYSA-N 1 0 407.348 4.323 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCNC(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000237872340 854111587 /nfs/dbraw/zinc/11/15/87/854111587.db2.gz KUQPMVYUFVSNKY-UHFFFAOYSA-N 1 0 411.483 4.167 20 5 HIBDRO Cn1cc(C[NH2+]CCc2ccc(OC(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237921099 854119744 /nfs/dbraw/zinc/11/97/44/854119744.db2.gz SRDVJTZVCGNOOD-UHFFFAOYSA-N 1 0 420.391 4.226 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccccc2OC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237934682 854121620 /nfs/dbraw/zinc/12/16/20/854121620.db2.gz DIDOYFYTQBYTBF-UHFFFAOYSA-N 1 0 406.364 4.184 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CN3CCOCC3)c3ccccc3)s2)cc1 ZINC000238003581 854131651 /nfs/dbraw/zinc/13/16/51/854131651.db2.gz QYFFQPUCRDMUGA-JOCHJYFZSA-N 1 0 423.538 4.486 20 5 HIBDRO O=C(NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccs1 ZINC000238057687 854138922 /nfs/dbraw/zinc/13/89/22/854138922.db2.gz UHFZGMROLNFFQE-UHFFFAOYSA-N 1 0 401.513 4.295 20 5 HIBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000255959728 854231807 /nfs/dbraw/zinc/23/18/07/854231807.db2.gz HCVOOTJMEZWNQQ-RDTXWAMCSA-N 1 0 412.408 4.436 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000301122121 854303667 /nfs/dbraw/zinc/30/36/67/854303667.db2.gz XIAMHELMBQPVRL-UHFFFAOYSA-N 1 0 408.502 4.324 20 5 HIBDRO CC(C)n1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000301287784 854348548 /nfs/dbraw/zinc/34/85/48/854348548.db2.gz NNRHPLGKXNMTJH-UHFFFAOYSA-N 1 0 415.441 4.404 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000301323432 854359297 /nfs/dbraw/zinc/35/92/97/854359297.db2.gz VXDFHJAAPJSFDZ-INIZCTEOSA-N 1 0 408.502 4.125 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@H]1c1cccs1 ZINC000301449144 854397758 /nfs/dbraw/zinc/39/77/58/854397758.db2.gz WROXVCAMOGKOQZ-LIRRHRJNSA-N 1 0 416.503 4.108 20 5 HIBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000301547988 854417816 /nfs/dbraw/zinc/41/78/16/854417816.db2.gz PTCYFLGNHCPGGI-FUHWJXTLSA-N 1 0 410.474 4.016 20 5 HIBDRO O=[N+]([O-])c1cncc(Br)c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000301892414 854486516 /nfs/dbraw/zinc/48/65/16/854486516.db2.gz ONVBSJQMUFWOFJ-MQVJKMGUSA-N 1 0 417.307 4.360 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301935732 854497887 /nfs/dbraw/zinc/49/78/87/854497887.db2.gz RCTBBRIKHMTWBT-CQSZACIVSA-N 1 0 411.344 4.233 20 5 HIBDRO Cc1cccc(NC(=O)[C@@H]2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000302176206 854543372 /nfs/dbraw/zinc/54/33/72/854543372.db2.gz MYYAEPOTAPBZAF-MRXNPFEDSA-N 1 0 405.458 4.010 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303746242 855168386 /nfs/dbraw/zinc/16/83/86/855168386.db2.gz KBNFZHCDCMAABJ-WMZHIEFXSA-N 1 0 424.545 4.298 20 5 HIBDRO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000324109262 855397488 /nfs/dbraw/zinc/39/74/88/855397488.db2.gz FVZAGFZIAZDHDL-OAHLLOKOSA-N 1 0 404.308 4.316 20 5 HIBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000324109261 855397626 /nfs/dbraw/zinc/39/76/26/855397626.db2.gz FVZAGFZIAZDHDL-HNNXBMFYSA-N 1 0 404.308 4.316 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000410365647 855954231 /nfs/dbraw/zinc/95/42/31/855954231.db2.gz FDNBJJBHNUVGRD-MRXNPFEDSA-N 1 0 412.490 4.157 20 5 HIBDRO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OCc1ccccc1 ZINC000425997047 856038218 /nfs/dbraw/zinc/03/82/18/856038218.db2.gz ABINAXFAPWDWTR-UHFFFAOYSA-N 1 0 422.485 4.216 20 5 HIBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426776993 856472044 /nfs/dbraw/zinc/47/20/44/856472044.db2.gz JOKXWKRGDWAXKS-UHFFFAOYSA-N 1 0 400.523 4.379 20 5 HIBDRO CC[C@@]1(CO)CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428471686 857212461 /nfs/dbraw/zinc/21/24/61/857212461.db2.gz BZRJCOJUHOXQPP-XMMPIXPASA-N 1 0 420.513 4.432 20 5 HIBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000428716248 857308154 /nfs/dbraw/zinc/30/81/54/857308154.db2.gz IIHKGNLEFPOSAF-UWJYYQICSA-N 1 0 411.527 4.302 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000429148754 857532257 /nfs/dbraw/zinc/53/22/57/857532257.db2.gz FBYNKUOWEKVATL-QGHHPUGFSA-N 1 0 414.430 4.058 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000429459136 857682928 /nfs/dbraw/zinc/68/29/28/857682928.db2.gz XMTQIYLHQOBSFJ-RDJZCZTQSA-N 1 0 421.335 4.119 20 5 HIBDRO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429711411 857845742 /nfs/dbraw/zinc/84/57/42/857845742.db2.gz PGUDMTSDFZCAQZ-UHFFFAOYSA-N 1 0 421.856 4.007 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000429716072 857846948 /nfs/dbraw/zinc/84/69/48/857846948.db2.gz JRKVJNDTIDXBTF-UHFFFAOYSA-N 1 0 415.465 4.052 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000430203817 858081649 /nfs/dbraw/zinc/08/16/49/858081649.db2.gz GQBFYGKWXXBAHO-HNNXBMFYSA-N 1 0 406.442 4.102 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000430211362 858083261 /nfs/dbraw/zinc/08/32/61/858083261.db2.gz IOSYAJLICWJSBK-LBPRGKRZSA-N 1 0 401.410 4.458 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430769523 858297867 /nfs/dbraw/zinc/29/78/67/858297867.db2.gz WCJHESZNLBTAEF-WHSLLNHNSA-N 1 0 402.516 4.482 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430823559 858318208 /nfs/dbraw/zinc/31/82/08/858318208.db2.gz ODIMGCHELQXKAE-UTKZUKDTSA-N 1 0 421.501 4.130 20 5 HIBDRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000431150300 858472171 /nfs/dbraw/zinc/47/21/71/858472171.db2.gz NJSSYGZEZGEZOA-UHFFFAOYSA-N 1 0 401.532 4.216 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431682651 858737135 /nfs/dbraw/zinc/73/71/35/858737135.db2.gz UGSZYNGKTQWZMI-DYESRHJHSA-N 1 0 410.518 4.040 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431682654 858737688 /nfs/dbraw/zinc/73/76/88/858737688.db2.gz UGSZYNGKTQWZMI-UWJYYQICSA-N 1 0 410.518 4.040 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2ccnc3c2cccc3[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000432338380 859108729 /nfs/dbraw/zinc/10/87/29/859108729.db2.gz VFWXSDKNZZVHLN-KRWDZBQOSA-N 1 0 406.486 4.455 20 5 HIBDRO C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414836 859153944 /nfs/dbraw/zinc/15/39/44/859153944.db2.gz MNQMXBRJBZMAIM-DLBZAZTESA-N 1 0 403.548 4.475 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000432812946 859370855 /nfs/dbraw/zinc/37/08/55/859370855.db2.gz KVDHICRUSXDTCV-BTYIYWSLSA-N 1 0 422.428 4.115 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433168079 859550617 /nfs/dbraw/zinc/55/06/17/859550617.db2.gz QGCACTVPSFXKTJ-NHCUHLMSSA-N 1 0 409.486 4.225 20 5 HIBDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 ZINC000433199002 859564184 /nfs/dbraw/zinc/56/41/84/859564184.db2.gz ASMSYAIBQUYHMO-UHFFFAOYSA-N 1 0 410.405 4.169 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302342 859625844 /nfs/dbraw/zinc/62/58/44/859625844.db2.gz IUJDXMCFJLXNNO-HNNXBMFYSA-N 1 0 403.866 4.075 20 5 HIBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434181147 860172961 /nfs/dbraw/zinc/17/29/61/860172961.db2.gz SASBHBLHAQNLDA-UHFFFAOYSA-N 1 0 409.442 4.092 20 5 HIBDRO CSc1ccc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000434184772 860175431 /nfs/dbraw/zinc/17/54/31/860175431.db2.gz VKWJQOMABRIERN-UHFFFAOYSA-N 1 0 415.515 4.068 20 5 HIBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000435298850 860725952 /nfs/dbraw/zinc/72/59/52/860725952.db2.gz OOKZPAXRJGUASN-OAQYLSRUSA-N 1 0 404.438 4.115 20 5 HIBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC1 ZINC000435750029 861030967 /nfs/dbraw/zinc/03/09/67/861030967.db2.gz WHEGNXPFJVWFDI-HHHXNRCGSA-N 1 0 408.907 4.431 20 5 HIBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435881125 861139464 /nfs/dbraw/zinc/13/94/64/861139464.db2.gz SKNPTLQEPMFKON-DEOSSOPVSA-N 1 0 411.505 4.248 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437937333 863313674 /nfs/dbraw/zinc/31/36/74/863313674.db2.gz VEOLASGDDUTMBX-UHFFFAOYSA-N 1 0 408.502 4.065 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998592 863361369 /nfs/dbraw/zinc/36/13/69/863361369.db2.gz JBSKRVGPGWMUQX-YLJYHZDGSA-N 1 0 408.502 4.104 20 5 HIBDRO Cc1ccc(Sc2ccc(C[N@H+](CCO)C3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000438344481 863814725 /nfs/dbraw/zinc/81/47/25/863814725.db2.gz YHPVGKROYYSPSF-UHFFFAOYSA-N 1 0 402.516 4.028 20 5 HIBDRO C[NH+](C)C1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 ZINC000438520938 863946956 /nfs/dbraw/zinc/94/69/56/863946956.db2.gz YMQOWOWFHQGNQJ-UHFFFAOYSA-N 1 0 403.866 4.255 20 5 HIBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000438560097 863992725 /nfs/dbraw/zinc/99/27/25/863992725.db2.gz DFPFRICLNCNQEM-HDICACEKSA-N 1 0 424.545 4.434 20 5 HIBDRO CC[C@](C)(O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000439254801 864671204 /nfs/dbraw/zinc/67/12/04/864671204.db2.gz DWKPUPGQNLDVBG-QHCPKHFHSA-N 1 0 409.486 4.456 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000439645116 864970897 /nfs/dbraw/zinc/97/08/97/864970897.db2.gz UJJDEWBVWJINTO-LBPRGKRZSA-N 1 0 423.872 4.290 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000439898992 865211240 /nfs/dbraw/zinc/21/12/40/865211240.db2.gz JCGFEVGYQBDKGD-LPHOPBHVSA-N 1 0 412.490 4.026 20 5 HIBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440479755 865783656 /nfs/dbraw/zinc/78/36/56/865783656.db2.gz PCBNHHZNJPXNOI-UHFFFAOYSA-N 1 0 417.450 4.579 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000440531594 865806166 /nfs/dbraw/zinc/80/61/66/865806166.db2.gz JUQGQWCVOSTKRT-SFHVURJKSA-N 1 0 407.470 4.325 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000440546582 865814345 /nfs/dbraw/zinc/81/43/45/865814345.db2.gz XZVYIHSJQQSXQT-SFHVURJKSA-N 1 0 413.543 4.301 20 5 HIBDRO COc1ccc(OCC[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000441203941 866274359 /nfs/dbraw/zinc/27/43/59/866274359.db2.gz UPEFIWZAFDPSRS-UHFFFAOYSA-N 1 0 400.475 4.142 20 5 HIBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441265801 866340676 /nfs/dbraw/zinc/34/06/76/866340676.db2.gz UKIPWWWNEVZQQX-KPZWWZAWSA-N 1 0 407.392 4.296 20 5 HIBDRO CC1CCC([N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2CCCO2)CC1 ZINC000441442336 866519097 /nfs/dbraw/zinc/51/90/97/866519097.db2.gz BDYWQQBJTCYTBV-GXOAENINSA-N 1 0 400.479 4.205 20 5 HIBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442673209 867608208 /nfs/dbraw/zinc/60/82/08/867608208.db2.gz QPMZFEJCJQRQIA-KRWDZBQOSA-N 1 0 413.543 4.454 20 5 HIBDRO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000442734596 867656196 /nfs/dbraw/zinc/65/61/96/867656196.db2.gz UROIQIIAFKHOGK-QGZVFWFLSA-N 1 0 411.527 4.446 20 5 HIBDRO CO[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000443076553 867813428 /nfs/dbraw/zinc/81/34/28/867813428.db2.gz YAWXNHFZUVZTJH-VGSWGCGISA-N 1 0 406.486 4.447 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443639587 868224632 /nfs/dbraw/zinc/22/46/32/868224632.db2.gz LIANEBLNZPMVNV-OAHLLOKOSA-N 1 0 403.866 4.039 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443639586 868225603 /nfs/dbraw/zinc/22/56/03/868225603.db2.gz LIANEBLNZPMVNV-HNNXBMFYSA-N 1 0 403.866 4.039 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 ZINC000443644612 868233351 /nfs/dbraw/zinc/23/33/51/868233351.db2.gz FYDLXOVGQFEXAW-CQSZACIVSA-N 1 0 423.404 4.305 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000444175541 868649288 /nfs/dbraw/zinc/64/92/88/868649288.db2.gz KRIGBKZGVAEEIO-AUUYWEPGSA-N 1 0 401.438 4.154 20 5 HIBDRO C[NH+](C)CCCC1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444297217 868726399 /nfs/dbraw/zinc/72/63/99/868726399.db2.gz IOKXCTRAZYVSBV-UHFFFAOYSA-N 1 0 409.505 4.014 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000444659573 868936837 /nfs/dbraw/zinc/93/68/37/868936837.db2.gz DCRCIBGZXCQZAG-ZDUSSCGKSA-N 1 0 417.416 4.327 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000444856691 869058404 /nfs/dbraw/zinc/05/84/04/869058404.db2.gz ZOHNBGRMQVJVGZ-ROUUACIJSA-N 1 0 405.542 4.169 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000444895228 869083402 /nfs/dbraw/zinc/08/34/02/869083402.db2.gz KAVZBRBWXHHHFS-SJLPKXTDSA-N 1 0 412.490 4.120 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000444903309 869090955 /nfs/dbraw/zinc/09/09/55/869090955.db2.gz XSEKTGKAYOHQLA-GHTZIAJQSA-N 1 0 424.501 4.122 20 5 HIBDRO C[C@@H](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+](C)Cc1ccccc1 ZINC000444995113 869150714 /nfs/dbraw/zinc/15/07/14/869150714.db2.gz GJYSSVIIZSFPMO-SFHVURJKSA-N 1 0 413.521 4.322 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445001584 869156410 /nfs/dbraw/zinc/15/64/10/869156410.db2.gz VLVSVDOGNUDRRP-RBUKOAKNSA-N 1 0 417.553 4.408 20 5 HIBDRO C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445165167 869253305 /nfs/dbraw/zinc/25/33/05/869253305.db2.gz YQXQWDAYVFSJIN-DLBZAZTESA-N 1 0 403.526 4.064 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000446003199 869966649 /nfs/dbraw/zinc/96/66/49/869966649.db2.gz PGHXLKABJKRUHI-DOTOQJQBSA-N 1 0 407.392 4.138 20 5 HIBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 ZINC000446046246 870007555 /nfs/dbraw/zinc/00/75/55/870007555.db2.gz KDWLNOLOPNKKGM-UHFFFAOYSA-N 1 0 415.493 4.264 20 5 HIBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000446155658 870097036 /nfs/dbraw/zinc/09/70/36/870097036.db2.gz GRVZIGIBWJPWAK-UHFFFAOYSA-N 1 0 408.458 4.255 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3=Cc4cc(Cl)cc(Cl)c4OC3)nc2c1 ZINC000446835015 870751099 /nfs/dbraw/zinc/75/10/99/870751099.db2.gz JCVIYVPDOFKZCO-UHFFFAOYSA-N 1 0 405.241 4.344 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000446977768 870875524 /nfs/dbraw/zinc/87/55/24/870875524.db2.gz RIRYBXGMWBZFHV-PXAZEXFGSA-N 1 0 400.422 4.459 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@@]3(CCO)CCOC3)cc2[N+](=O)[O-])c1 ZINC000447071145 870950221 /nfs/dbraw/zinc/95/02/21/870950221.db2.gz ZUJODOZSVCUMPP-QHCPKHFHSA-N 1 0 414.502 4.450 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447560063 871449589 /nfs/dbraw/zinc/44/95/89/871449589.db2.gz CFRKCMCONTUCSL-QGZVFWFLSA-N 1 0 403.866 4.253 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC1CCCC1 ZINC000447561235 871455222 /nfs/dbraw/zinc/45/52/22/871455222.db2.gz GZGUPLVXHKDDRD-RTBURBONSA-N 1 0 414.506 4.395 20 5 HIBDRO COc1ccccc1[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC(C)C ZINC000447603201 871511124 /nfs/dbraw/zinc/51/11/24/871511124.db2.gz VSDHURQONQRDDV-HBFSDRIKSA-N 1 0 402.495 4.040 20 5 HIBDRO COc1c(C)cnc(CN(C)c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1C ZINC000447691376 871626028 /nfs/dbraw/zinc/62/60/28/871626028.db2.gz QQDRQLPWEHGAMP-UHFFFAOYSA-N 1 0 420.338 4.301 20 5 HIBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448444074 872385803 /nfs/dbraw/zinc/38/58/03/872385803.db2.gz APCKJFQKXPPQRN-XMSQKQJNSA-N 1 0 420.513 4.427 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000468560163 882612588 /nfs/dbraw/zinc/61/25/88/882612588.db2.gz MCLVKQGXMSPHQM-MRXNPFEDSA-N 1 0 424.526 4.092 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000468621176 882740992 /nfs/dbraw/zinc/74/09/92/882740992.db2.gz MGSPRKCHJBUEGE-SFQUDFHCSA-N 1 0 402.454 4.435 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]([NH2+]CCCCF)c1ccccc1 ZINC000461095219 874011353 /nfs/dbraw/zinc/01/13/53/874011353.db2.gz CEMXOHBDUSHVOC-QGZVFWFLSA-N 1 0 424.270 4.376 20 5 HIBDRO O=C(c1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000461443353 874499207 /nfs/dbraw/zinc/49/92/07/874499207.db2.gz AHNOHEJOYXXGLQ-NRFANRHFSA-N 1 0 408.502 4.080 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000462549986 875673986 /nfs/dbraw/zinc/67/39/86/875673986.db2.gz MANGHQITIWXMLN-TZIWHRDSSA-N 1 0 412.486 4.230 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462616200 875728112 /nfs/dbraw/zinc/72/81/12/875728112.db2.gz LGHMZHVGIGJPQL-OAQYLSRUSA-N 1 0 409.530 4.287 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)Oc3ccccc3OC)o2)c([N+](=O)[O-])c1 ZINC000462751379 875818195 /nfs/dbraw/zinc/81/81/95/875818195.db2.gz WWCUHNRMTCPSME-OAHLLOKOSA-N 1 0 412.442 4.429 20 5 HIBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000462777488 875834585 /nfs/dbraw/zinc/83/45/85/875834585.db2.gz HVBJDNHQMLPELX-UHFFFAOYSA-N 1 0 419.323 4.218 20 5 HIBDRO COc1cccc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)c1 ZINC000462820610 875860484 /nfs/dbraw/zinc/86/04/84/875860484.db2.gz VPLWDNBIBNTBNC-AWEZNQCLSA-N 1 0 407.417 4.088 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000462933736 875961391 /nfs/dbraw/zinc/96/13/91/875961391.db2.gz WUXIAEWLAVGTHY-IBGZPJMESA-N 1 0 415.559 4.253 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000462983979 875996715 /nfs/dbraw/zinc/99/67/15/875996715.db2.gz BFJCSJYPYOYHFM-GGAORHGYSA-N 1 0 424.545 4.072 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463281623 876338240 /nfs/dbraw/zinc/33/82/40/876338240.db2.gz VWTBFIOKUQATMD-GCJKJVERSA-N 1 0 410.518 4.035 20 5 HIBDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000469010033 883078075 /nfs/dbraw/zinc/07/80/75/883078075.db2.gz OASXSNBKUVCVBT-KFVRLDSISA-N 1 0 411.502 4.131 20 5 HIBDRO COc1cc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])cc1F ZINC000464497960 877717776 /nfs/dbraw/zinc/71/77/76/877717776.db2.gz OJBUPOCFPMWUNH-UHFFFAOYSA-N 1 0 417.359 4.104 20 5 HIBDRO COc1cc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000464593136 877820218 /nfs/dbraw/zinc/82/02/18/877820218.db2.gz LPNSULVMFQJBFZ-UHFFFAOYSA-N 1 0 400.475 4.054 20 5 HIBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464609179 877836339 /nfs/dbraw/zinc/83/63/39/877836339.db2.gz OZPPGEDEGCNKLT-WCQYABFASA-N 1 0 407.902 4.186 20 5 HIBDRO COc1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])cc1F ZINC000464685249 877899626 /nfs/dbraw/zinc/89/96/26/877899626.db2.gz AFDDLDGUEZZHPV-UHFFFAOYSA-N 1 0 413.493 4.231 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000464778132 878021433 /nfs/dbraw/zinc/02/14/33/878021433.db2.gz QWOVITXZECBPDF-FQEVSTJZSA-N 1 0 422.481 4.031 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464833961 878092282 /nfs/dbraw/zinc/09/22/82/878092282.db2.gz OSGQSIUOLUYONV-KBXCAEBGSA-N 1 0 401.463 4.307 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464845242 878118387 /nfs/dbraw/zinc/11/83/87/878118387.db2.gz LWNHUXKSEGFCSK-MSOLQXFVSA-N 1 0 421.501 4.302 20 5 HIBDRO COc1ccc(NC(=O)CC[NH+]2CCC(=Cc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000464879277 878170729 /nfs/dbraw/zinc/17/07/29/878170729.db2.gz XPUHVOWYWGVBNW-UHFFFAOYSA-N 1 0 413.449 4.251 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]C[C@H]1CCCS1)c1ccccc1 ZINC000464985873 878335571 /nfs/dbraw/zinc/33/55/71/878335571.db2.gz QXBWYRSSORGLPZ-CRAIPNDOSA-N 1 0 405.907 4.413 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)C1 ZINC000465181266 878570395 /nfs/dbraw/zinc/57/03/95/878570395.db2.gz CPYZQQQVCNKXLO-HNNXBMFYSA-N 1 0 408.458 4.049 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000465189189 878584668 /nfs/dbraw/zinc/58/46/68/878584668.db2.gz WSLWRPYSCLEZGH-MRXNPFEDSA-N 1 0 415.515 4.046 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503381932 912365289 /nfs/dbraw/zinc/36/52/89/912365289.db2.gz GGFFAGVIZGSSGJ-RBZFPXEDSA-N 1 0 403.866 4.110 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000465640177 879154252 /nfs/dbraw/zinc/15/42/52/879154252.db2.gz QQODVLLBQCJBOT-ICSRJNTNSA-N 1 0 410.518 4.209 20 5 HIBDRO CN(c1ccccc1CNCc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000466460575 880240775 /nfs/dbraw/zinc/24/07/75/880240775.db2.gz MVIGQLAUVPLAJA-UHFFFAOYSA-N 1 0 402.926 4.068 20 5 HIBDRO COc1cc(C[NH2+]Cc2cccc3cc[nH]c32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000466914182 880683216 /nfs/dbraw/zinc/68/32/16/880683216.db2.gz PHSSLNYLWBVWQW-UHFFFAOYSA-N 1 0 409.364 4.316 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000467333800 881083466 /nfs/dbraw/zinc/08/34/66/881083466.db2.gz DIXZHCFBWYAQIB-OAHLLOKOSA-N 1 0 419.909 4.334 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000469497002 883740986 /nfs/dbraw/zinc/74/09/86/883740986.db2.gz CEFISEVSLZFJTF-UHFFFAOYSA-N 1 0 401.532 4.131 20 5 HIBDRO C[NH+]1CCC(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 ZINC000469542412 883807224 /nfs/dbraw/zinc/80/72/24/883807224.db2.gz MYTYENMFQZVBOL-UHFFFAOYSA-N 1 0 421.856 4.138 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503899020 912857040 /nfs/dbraw/zinc/85/70/40/912857040.db2.gz CHXYNSVIJJKQAE-APWZRJJASA-N 1 0 400.475 4.087 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000470832764 885323978 /nfs/dbraw/zinc/32/39/78/885323978.db2.gz SVOAFJHXPZJTFR-KRWDZBQOSA-N 1 0 411.502 4.298 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471129248 885667046 /nfs/dbraw/zinc/66/70/46/885667046.db2.gz MUVYUDXDPQJHDK-UHFFFAOYSA-N 1 0 420.819 4.175 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000504069894 912971388 /nfs/dbraw/zinc/97/13/88/912971388.db2.gz IZRRGKJNIFMHJY-UHFFFAOYSA-N 1 0 403.504 4.290 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000472512909 887382697 /nfs/dbraw/zinc/38/26/97/887382697.db2.gz GBDXBRUWGLTWTL-HZPDHXFCSA-N 1 0 407.470 4.227 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000473505224 888232026 /nfs/dbraw/zinc/23/20/26/888232026.db2.gz ASRUPIWYLKBQLO-QGZVFWFLSA-N 1 0 406.486 4.455 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000474373465 889251496 /nfs/dbraw/zinc/25/14/96/889251496.db2.gz QLLFUEYNGCPZGH-HXUWFJFHSA-N 1 0 406.866 4.287 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1Cc2ccccc2C1 ZINC000475505249 890419190 /nfs/dbraw/zinc/41/91/90/890419190.db2.gz AQPUEEFVXVUDHX-HNNXBMFYSA-N 1 0 407.495 4.344 20 5 HIBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000475565788 890496085 /nfs/dbraw/zinc/49/60/85/890496085.db2.gz MYCPTZROHFILIC-OAHLLOKOSA-N 1 0 412.442 4.476 20 5 HIBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000475628181 890567267 /nfs/dbraw/zinc/56/72/67/890567267.db2.gz ZUHWENRATKTREY-FOIQADDNSA-N 1 0 406.866 4.278 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000475701430 890640328 /nfs/dbraw/zinc/64/03/28/890640328.db2.gz LSAPDXJRWDOJOU-RYUDHWBXSA-N 1 0 401.394 4.167 20 5 HIBDRO COC(=O)COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475711179 890650057 /nfs/dbraw/zinc/65/00/57/890650057.db2.gz VDZXZIDLTQTESK-QGZVFWFLSA-N 1 0 402.447 4.165 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000477035131 891959753 /nfs/dbraw/zinc/95/97/53/891959753.db2.gz RTNJYXSYMVRUTM-FQEVSTJZSA-N 1 0 414.506 4.423 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1[N+](=O)[O-] ZINC000504893388 913622288 /nfs/dbraw/zinc/62/22/88/913622288.db2.gz FEKDKDFWMPHDGN-NSHDSACASA-N 1 0 423.263 4.336 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000504900127 913632211 /nfs/dbraw/zinc/63/22/11/913632211.db2.gz RORMWBLBXSNZNI-VGOFRKELSA-N 1 0 413.518 4.490 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000504900064 913632575 /nfs/dbraw/zinc/63/25/75/913632575.db2.gz QMSMDSDKWQKIEA-NSHDSACASA-N 1 0 413.421 4.111 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ccc(C)cn2)CC1 ZINC000504905416 913638116 /nfs/dbraw/zinc/63/81/16/913638116.db2.gz IFVLBVQINFOIGW-QGZVFWFLSA-N 1 0 400.548 4.428 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000504911650 913645203 /nfs/dbraw/zinc/64/52/03/913645203.db2.gz JMMDWRMQFANABI-MSOLQXFVSA-N 1 0 401.532 4.275 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000504912364 913646670 /nfs/dbraw/zinc/64/66/70/913646670.db2.gz VEGBNPPEISHVCZ-KRWDZBQOSA-N 1 0 415.563 4.131 20 5 HIBDRO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000504912317 913646850 /nfs/dbraw/zinc/64/68/50/913646850.db2.gz UKADOMSZZWCBNG-HOCLYGCPSA-N 1 0 407.392 4.478 20 5 HIBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000504912318 913647059 /nfs/dbraw/zinc/64/70/59/913647059.db2.gz UKADOMSZZWCBNG-ZBFHGGJFSA-N 1 0 407.392 4.478 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000504922120 913658078 /nfs/dbraw/zinc/65/80/78/913658078.db2.gz XUWRFURNUYTRQF-IEBWSBKVSA-N 1 0 419.547 4.030 20 5 HIBDRO C[N@H+](Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000477445943 892396328 /nfs/dbraw/zinc/39/63/28/892396328.db2.gz SNWCCRVOYFMOOO-UHFFFAOYSA-N 1 0 413.493 4.357 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000504927983 913668201 /nfs/dbraw/zinc/66/82/01/913668201.db2.gz XJBIZFIBAITGEM-LJQANCHMSA-N 1 0 413.543 4.378 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000504931166 913672037 /nfs/dbraw/zinc/67/20/37/913672037.db2.gz WHZFEAICSGXWOL-ZIAGYGMSSA-N 1 0 410.873 4.288 20 5 HIBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCSc2ccc(Br)cc21 ZINC000478006083 893111217 /nfs/dbraw/zinc/11/12/17/893111217.db2.gz XYUTXZIEPYBHAK-AWEZNQCLSA-N 1 0 411.325 4.113 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053969 893206486 /nfs/dbraw/zinc/20/64/86/893206486.db2.gz NWNQVNOGZZVEFC-HKUYNNGSSA-N 1 0 416.566 4.207 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000479444828 894761078 /nfs/dbraw/zinc/76/10/78/894761078.db2.gz KEKACVXXTHBHEK-UHFFFAOYSA-N 1 0 401.894 4.205 20 5 HIBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000479478296 894801843 /nfs/dbraw/zinc/80/18/43/894801843.db2.gz WFLUACWDVNEFQS-KRWDZBQOSA-N 1 0 410.518 4.009 20 5 HIBDRO COc1ccc(NC(=O)[C@H](NCc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000479489952 894810719 /nfs/dbraw/zinc/81/07/19/894810719.db2.gz NLNCFTACHDNWDI-JOCHJYFZSA-N 1 0 405.454 4.381 20 5 HIBDRO CCCCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000480167607 895558202 /nfs/dbraw/zinc/55/82/02/895558202.db2.gz JCEJUXQKABBHQC-UHFFFAOYSA-N 1 0 405.539 4.463 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000480431825 895825064 /nfs/dbraw/zinc/82/50/64/895825064.db2.gz LMHZUBZTTBNGCP-IAGOWNOFSA-N 1 0 406.486 4.364 20 5 HIBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000480674294 896038655 /nfs/dbraw/zinc/03/86/55/896038655.db2.gz YADLIPYHHVEPQM-WAOWUJCRSA-N 1 0 416.543 4.066 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000480880574 896237951 /nfs/dbraw/zinc/23/79/51/896237951.db2.gz DLKPGWACPDUGIR-KRWDZBQOSA-N 1 0 404.470 4.480 20 5 HIBDRO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481180278 896518078 /nfs/dbraw/zinc/51/80/78/896518078.db2.gz WSTSITMPYDJRMM-ZDUSSCGKSA-N 1 0 401.417 4.023 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000481297845 896641284 /nfs/dbraw/zinc/64/12/84/896641284.db2.gz ZLNDBXRNBFYHKR-JOCHJYFZSA-N 1 0 415.484 4.448 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481308834 896654605 /nfs/dbraw/zinc/65/46/05/896654605.db2.gz BUOBCELRQWSIRL-CVEARBPZSA-N 1 0 409.515 4.433 20 5 HIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000481476701 896862758 /nfs/dbraw/zinc/86/27/58/896862758.db2.gz ARVWZBCOQVMFCK-JLTOFOAXSA-N 1 0 405.882 4.251 20 5 HIBDRO Cc1cccc(CC[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 ZINC000481614799 896996491 /nfs/dbraw/zinc/99/64/91/896996491.db2.gz QVWDRVPFBNGSOS-OAQYLSRUSA-N 1 0 424.888 4.464 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481893021 897270294 /nfs/dbraw/zinc/27/02/94/897270294.db2.gz SHPGTWRCIYFYSB-GMAHTHKFSA-N 1 0 407.514 4.041 20 5 HIBDRO CCC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000482264821 897751020 /nfs/dbraw/zinc/75/10/20/897751020.db2.gz NJOCXTYUAXPAPB-MGPUTAFESA-N 1 0 405.520 4.037 20 5 HIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505502998 914192449 /nfs/dbraw/zinc/19/24/49/914192449.db2.gz JRVPJKQLZUVVOR-VFNWGFHPSA-N 1 0 422.428 4.115 20 5 HIBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037882 898705267 /nfs/dbraw/zinc/70/52/67/898705267.db2.gz FGJJLQKKJDBDPA-FYYLOGMGSA-N 1 0 411.502 4.474 20 5 HIBDRO CC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000483110048 898801743 /nfs/dbraw/zinc/80/17/43/898801743.db2.gz NBWVGCYOOJPNHI-UHFFFAOYSA-N 1 0 409.530 4.336 20 5 HIBDRO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483593692 899244617 /nfs/dbraw/zinc/24/46/17/899244617.db2.gz ONFNTPJPEBBQAU-REWPJTCUSA-N 1 0 421.541 4.386 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000483812192 899489740 /nfs/dbraw/zinc/48/97/40/899489740.db2.gz YOOYJDFPUHHNIP-XOBRGWDASA-N 1 0 406.885 4.149 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000484397258 899924639 /nfs/dbraw/zinc/92/46/39/899924639.db2.gz NCCQFXONAMYKEI-UHFFFAOYSA-N 1 0 413.543 4.144 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000505752454 914426119 /nfs/dbraw/zinc/42/61/19/914426119.db2.gz FIPKMWFBFONOOA-UHFFFAOYSA-N 1 0 413.543 4.445 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484945799 900314663 /nfs/dbraw/zinc/31/46/63/900314663.db2.gz CXJFIJCVKAMHQO-ZWKOTPCHSA-N 1 0 413.905 4.151 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000485004953 900355803 /nfs/dbraw/zinc/35/58/03/900355803.db2.gz LTTJLNDPLKLIQL-GOSISDBHSA-N 1 0 413.543 4.001 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[N@@H+]1C ZINC000485385051 900680393 /nfs/dbraw/zinc/68/03/93/900680393.db2.gz RPKBNFRIRRDSOX-GOEBONIOSA-N 1 0 416.909 4.073 20 5 HIBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000485808369 901058710 /nfs/dbraw/zinc/05/87/10/901058710.db2.gz YQSUNKJGJGJSMX-OAHLLOKOSA-N 1 0 424.270 4.484 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486182881 901367840 /nfs/dbraw/zinc/36/78/40/901367840.db2.gz YTXNNBYPRYAAHY-RYUDHWBXSA-N 1 0 418.357 4.049 20 5 HIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC3 ZINC000486443290 901601562 /nfs/dbraw/zinc/60/15/62/901601562.db2.gz FGENOXDLNVLTJB-SFHVURJKSA-N 1 0 415.497 4.432 20 5 HIBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486704566 901804114 /nfs/dbraw/zinc/80/41/14/901804114.db2.gz GKCWMPJHCQCLBP-KRWDZBQOSA-N 1 0 421.419 4.142 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000486753921 901830724 /nfs/dbraw/zinc/83/07/24/901830724.db2.gz QVELKXWTNAWHMR-IRXDYDNUSA-N 1 0 405.564 4.433 20 5 HIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486820621 901874393 /nfs/dbraw/zinc/87/43/93/901874393.db2.gz GIOOKZZZKPZQFZ-YBOAYWMSSA-N 1 0 405.458 4.155 20 5 HIBDRO Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c(=O)n1C ZINC000487182493 902089786 /nfs/dbraw/zinc/08/97/86/902089786.db2.gz UXRDKFTYJQSGGE-UHFFFAOYSA-N 1 0 413.861 4.337 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cc(C(F)(F)F)c1 ZINC000487186770 902091318 /nfs/dbraw/zinc/09/13/18/902091318.db2.gz KZCJHIGAUZQPNQ-IBGZPJMESA-N 1 0 410.392 4.461 20 5 HIBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000487586710 902247878 /nfs/dbraw/zinc/24/78/78/902247878.db2.gz FWYJWVLDUAZHSQ-UHFFFAOYSA-N 1 0 424.526 4.231 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000487845616 902403240 /nfs/dbraw/zinc/40/32/40/902403240.db2.gz XALQYOJUJOIVOR-JKSUJKDBSA-N 1 0 406.442 4.460 20 5 HIBDRO CC1(C)CC[C@H](C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 ZINC000488181777 902670117 /nfs/dbraw/zinc/67/01/17/902670117.db2.gz FWGRNHAGDYNYFZ-VQIMIIECSA-N 1 0 417.893 4.475 20 5 HIBDRO Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489275783 903301719 /nfs/dbraw/zinc/30/17/19/903301719.db2.gz HPYBJQNXIZDZFP-LJQANCHMSA-N 1 0 407.474 4.014 20 5 HIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1 ZINC000489755997 903582524 /nfs/dbraw/zinc/58/25/24/903582524.db2.gz RAIMSMBINVBHQK-UHFFFAOYSA-N 1 0 413.474 4.174 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489867464 903640296 /nfs/dbraw/zinc/64/02/96/903640296.db2.gz AFSIWBRVLOPEQR-KRWDZBQOSA-N 1 0 413.543 4.443 20 5 HIBDRO CSCC[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000489884984 903651237 /nfs/dbraw/zinc/65/12/37/903651237.db2.gz OKAVSVCQFNJHDT-ZFWWWQNUSA-N 1 0 407.561 4.184 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000491025842 904377345 /nfs/dbraw/zinc/37/73/45/904377345.db2.gz DHVNAAKRKMOWDF-SFHVURJKSA-N 1 0 413.543 4.301 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000491052526 904397065 /nfs/dbraw/zinc/39/70/65/904397065.db2.gz RDFCTGJPTZZNNG-HXUWFJFHSA-N 1 0 409.530 4.243 20 5 HIBDRO COc1cc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491132533 904446179 /nfs/dbraw/zinc/44/61/79/904446179.db2.gz IURQEIIMCHAVOX-ZDUSSCGKSA-N 1 0 410.417 4.016 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000491142563 904453324 /nfs/dbraw/zinc/45/33/24/904453324.db2.gz ZOYXLFOQRKDOLI-QGZVFWFLSA-N 1 0 405.564 4.147 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c2ccccc2)c1 ZINC000491356257 904553601 /nfs/dbraw/zinc/55/36/01/904553601.db2.gz LEMWFWXVLJTVIM-DQEYMECFSA-N 1 0 417.509 4.347 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)o2)c1 ZINC000506152337 914825761 /nfs/dbraw/zinc/82/57/61/914825761.db2.gz DNFQBCYBFYCSOW-KRWDZBQOSA-N 1 0 403.442 4.277 20 5 HIBDRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506152437 914826132 /nfs/dbraw/zinc/82/61/32/914826132.db2.gz XORKXVJFWXLMGI-UHFFFAOYSA-N 1 0 421.453 4.411 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000493105303 905021221 /nfs/dbraw/zinc/02/12/21/905021221.db2.gz LPNLINTZXCXEKG-OALUTQOASA-N 1 0 402.539 4.118 20 5 HIBDRO O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493299882 905077624 /nfs/dbraw/zinc/07/76/24/905077624.db2.gz BQSOVDRDCLLOPT-FYYLOGMGSA-N 1 0 407.514 4.455 20 5 HIBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493918726 905269676 /nfs/dbraw/zinc/26/96/76/905269676.db2.gz DOTDBUDWYJTVNW-UHFFFAOYSA-N 1 0 410.518 4.089 20 5 HIBDRO C[C@@H]1[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1Cc1ccccc1 ZINC000494059023 905397424 /nfs/dbraw/zinc/39/74/24/905397424.db2.gz HOOHEEWNTOWCOQ-VGSWGCGISA-N 1 0 411.505 4.074 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000494110705 905458148 /nfs/dbraw/zinc/45/81/48/905458148.db2.gz UPBYUVVKKDQYDY-OXJNMPFZSA-N 1 0 417.575 4.432 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000494115366 905459894 /nfs/dbraw/zinc/45/98/94/905459894.db2.gz GHGXHYBNWAQZKV-SFHVURJKSA-N 1 0 411.502 4.055 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494445458 905729600 /nfs/dbraw/zinc/72/96/00/905729600.db2.gz JIXDQAWVNXSVAK-FDDCHVKYSA-N 1 0 422.529 4.179 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494445464 905731570 /nfs/dbraw/zinc/73/15/70/905731570.db2.gz JIXDQAWVNXSVAK-WZONZLPQSA-N 1 0 422.529 4.179 20 5 HIBDRO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494480758 905764281 /nfs/dbraw/zinc/76/42/81/905764281.db2.gz AGSRFHGGOGFTLC-HXUWFJFHSA-N 1 0 423.435 4.085 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494808902 906009428 /nfs/dbraw/zinc/00/94/28/906009428.db2.gz MWFJKPCDKIQRQN-HNNXBMFYSA-N 1 0 420.916 4.380 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CCO)CCCC3)o2)c(Br)c1 ZINC000512497417 921202142 /nfs/dbraw/zinc/20/21/42/921202142.db2.gz VDSRFVZKNMTPMG-UHFFFAOYSA-N 1 0 409.280 4.402 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000495024492 906183184 /nfs/dbraw/zinc/18/31/84/906183184.db2.gz KBMXRTZLYMFABZ-UHFFFAOYSA-N 1 0 402.539 4.027 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000495173556 906287142 /nfs/dbraw/zinc/28/71/42/906287142.db2.gz KNVLQGBOVCNDPQ-VGOFRKELSA-N 1 0 406.486 4.088 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1Cc1ccccc1 ZINC000512546412 921227476 /nfs/dbraw/zinc/22/74/76/921227476.db2.gz VDAOPYHQIXXLRN-AEFFLSMTSA-N 1 0 406.486 4.107 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@@H+]1Cc1ccccc1 ZINC000512551200 921230981 /nfs/dbraw/zinc/23/09/81/921230981.db2.gz RWCBPOMMJZWKAO-FUHWJXTLSA-N 1 0 406.486 4.107 20 5 HIBDRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000512563362 921238852 /nfs/dbraw/zinc/23/88/52/921238852.db2.gz DUWURNHTKUTICS-UHFFFAOYSA-N 1 0 418.291 4.208 20 5 HIBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000497357638 906850881 /nfs/dbraw/zinc/85/08/81/906850881.db2.gz ROXOXTLXVWVWJD-UHFFFAOYSA-N 1 0 410.518 4.033 20 5 HIBDRO CC[NH+](CC)CCOc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1OC ZINC000497871721 907347921 /nfs/dbraw/zinc/34/79/21/907347921.db2.gz IMIUDNHXZVLRJJ-UHFFFAOYSA-N 1 0 421.881 4.230 20 5 HIBDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-])C2 ZINC000512812573 921317275 /nfs/dbraw/zinc/31/72/75/921317275.db2.gz WBWLAXFWRIRBIF-GENZYMQKSA-N 1 0 406.523 4.419 20 5 HIBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000497901219 907374538 /nfs/dbraw/zinc/37/45/38/907374538.db2.gz TWNXOVOQDHNFFJ-UHFFFAOYSA-N 1 0 401.532 4.301 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)ccc1Oc1ccc(F)cc1 ZINC000512840440 921341801 /nfs/dbraw/zinc/34/18/01/921341801.db2.gz NQPYDALCPLNPRQ-SFHVURJKSA-N 1 0 423.448 4.075 20 5 HIBDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC[N@@H+]2C2CC2)c1 ZINC000498386714 907873624 /nfs/dbraw/zinc/87/36/24/907873624.db2.gz KCIUNURHVNAQMK-TZIWHRDSSA-N 1 0 410.474 4.011 20 5 HIBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)CC1 ZINC000499896843 909020575 /nfs/dbraw/zinc/02/05/75/909020575.db2.gz KFAGLMGMFVNLJP-SFHVURJKSA-N 1 0 401.551 4.476 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(C[S@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000513071109 921524410 /nfs/dbraw/zinc/52/44/10/921524410.db2.gz VZHLUUJDFCWSEJ-LJAQVGFWSA-N 1 0 414.483 4.032 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000500532950 909911507 /nfs/dbraw/zinc/91/15/07/909911507.db2.gz SSQFMFJSYAVSAJ-UHFFFAOYSA-N 1 0 420.897 4.291 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000500566376 909933097 /nfs/dbraw/zinc/93/30/97/909933097.db2.gz ZMZAXRATJLFLIK-SFHVURJKSA-N 1 0 423.435 4.310 20 5 HIBDRO CC1(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOCC1 ZINC000500858848 910132053 /nfs/dbraw/zinc/13/20/53/910132053.db2.gz MYJYTUZJFJGFMJ-LJQANCHMSA-N 1 0 417.893 4.334 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000501008917 910229878 /nfs/dbraw/zinc/22/98/78/910229878.db2.gz VLVWSFUVFDRYHC-GOSISDBHSA-N 1 0 418.881 4.215 20 5 HIBDRO O=C(CC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501012700 910233924 /nfs/dbraw/zinc/23/39/24/910233924.db2.gz WNAYPINONCJQRM-OAHLLOKOSA-N 1 0 407.392 4.432 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000513120961 921565988 /nfs/dbraw/zinc/56/59/88/921565988.db2.gz WEVZOXUGIDTDRO-HXUWFJFHSA-N 1 0 406.486 4.107 20 5 HIBDRO CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502939344 911925669 /nfs/dbraw/zinc/92/56/69/911925669.db2.gz LSIJNYVHNXJULV-INIZCTEOSA-N 1 0 423.473 4.274 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1)c1ccccc1 ZINC000506311071 914899866 /nfs/dbraw/zinc/89/98/66/914899866.db2.gz QNJWATWUUYQTDP-UHFFFAOYSA-N 1 0 405.454 4.249 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506470773 915068764 /nfs/dbraw/zinc/06/87/64/915068764.db2.gz NPECMWCJJICGJD-IKGGRYGDSA-N 1 0 422.957 4.162 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000506481339 915085801 /nfs/dbraw/zinc/08/58/01/915085801.db2.gz OZETXQMUWYIDJR-UHFFFAOYSA-N 1 0 405.495 4.228 20 5 HIBDRO COc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506552826 915199310 /nfs/dbraw/zinc/19/93/10/915199310.db2.gz OWKYCZZEOXEDKW-IBGZPJMESA-N 1 0 412.486 4.183 20 5 HIBDRO Cn1cc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506742500 915431976 /nfs/dbraw/zinc/43/19/76/915431976.db2.gz GZQSBFCKUMZCNW-IBGZPJMESA-N 1 0 412.515 4.238 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH+](CCc4cccs4)CC3)cs2)c1 ZINC000507067808 915850527 /nfs/dbraw/zinc/85/05/27/915850527.db2.gz RQNKHNGMWXMQHS-UHFFFAOYSA-N 1 0 414.556 4.140 20 5 HIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507177833 915922937 /nfs/dbraw/zinc/92/29/37/915922937.db2.gz HEAQVOVKTVMODI-MRXNPFEDSA-N 1 0 408.458 4.141 20 5 HIBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507259865 916021695 /nfs/dbraw/zinc/02/16/95/916021695.db2.gz BXZFMQMGLJYYEF-OCBCSQNSSA-N 1 0 405.907 4.269 20 5 HIBDRO COc1ccc(C[NH2+]CCN2CCC[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508105520 916920619 /nfs/dbraw/zinc/92/06/19/916920619.db2.gz URGLWYZJSBPGDD-GOSISDBHSA-N 1 0 413.518 4.004 20 5 HIBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000508211963 917028382 /nfs/dbraw/zinc/02/83/82/917028382.db2.gz UZUKCKTZVAPHGX-UHFFFAOYSA-N 1 0 410.518 4.155 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000508533074 917314441 /nfs/dbraw/zinc/31/44/41/917314441.db2.gz UQJQBPUHLOSOIC-UHFFFAOYSA-N 1 0 405.454 4.488 20 5 HIBDRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000509346947 918012339 /nfs/dbraw/zinc/01/23/39/918012339.db2.gz ZDSOBRJJXNBABR-HWKANZROSA-N 1 0 400.866 4.007 20 5 HIBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000509347959 918012674 /nfs/dbraw/zinc/01/26/74/918012674.db2.gz HRYJGAKRWXERNK-CYBMUJFWSA-N 1 0 418.375 4.442 20 5 HIBDRO Cn1cnnc1C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000509400897 918067446 /nfs/dbraw/zinc/06/74/46/918067446.db2.gz QYHOILYWIRVECI-UHFFFAOYSA-N 1 0 411.437 4.034 20 5 HIBDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)C1 ZINC000509562395 918212814 /nfs/dbraw/zinc/21/28/14/918212814.db2.gz VXOYJAPZXNKYGZ-QGZVFWFLSA-N 1 0 411.502 4.325 20 5 HIBDRO Cc1c(Br)cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000509698210 918328928 /nfs/dbraw/zinc/32/89/28/918328928.db2.gz KTNSXATWIRJMDE-ZDUSSCGKSA-N 1 0 412.328 4.050 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000509763165 918376577 /nfs/dbraw/zinc/37/65/77/918376577.db2.gz QISNAHJCHUEFRH-NQIIRXRSSA-N 1 0 410.518 4.350 20 5 HIBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000509949145 918544556 /nfs/dbraw/zinc/54/45/56/918544556.db2.gz OVKLOVWLMHBYBX-SFHVURJKSA-N 1 0 406.442 4.251 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510239407 918777400 /nfs/dbraw/zinc/77/74/00/918777400.db2.gz BOTIXIDBRLOGQB-FUHWJXTLSA-N 1 0 406.486 4.107 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](n4ncc5ccccc54)C3)o2)c1 ZINC000510436229 918895731 /nfs/dbraw/zinc/89/57/31/918895731.db2.gz YTKHQJXSWBKHOL-LJQANCHMSA-N 1 0 403.442 4.089 20 5 HIBDRO COc1cc(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000510450341 918907131 /nfs/dbraw/zinc/90/71/31/918907131.db2.gz UCBUAKHDFPHIPS-IJEWVQPXSA-N 1 0 413.465 4.042 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000510526386 918972857 /nfs/dbraw/zinc/97/28/57/918972857.db2.gz PFYRNNUBNNCLMM-YRNRMSPPSA-N 1 0 401.532 4.191 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1SC ZINC000510539931 918985113 /nfs/dbraw/zinc/98/51/13/918985113.db2.gz OFTFCQZJZWOXAP-JLTOFOAXSA-N 1 0 417.531 4.055 20 5 HIBDRO C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510800368 919268987 /nfs/dbraw/zinc/26/89/87/919268987.db2.gz QEAYRMDUZUYWRU-GDBMZVCRSA-N 1 0 414.531 4.101 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000510862509 919352745 /nfs/dbraw/zinc/35/27/45/919352745.db2.gz AKWATFZJGABVOR-KBPBESRZSA-N 1 0 414.453 4.076 20 5 HIBDRO CC(C)CN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000511050268 919641667 /nfs/dbraw/zinc/64/16/67/919641667.db2.gz WIWSOSQMHDSIHX-GOSISDBHSA-N 1 0 416.566 4.024 20 5 HIBDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000511175773 919797885 /nfs/dbraw/zinc/79/78/85/919797885.db2.gz ZLQZIKLAXCPZTM-MRXNPFEDSA-N 1 0 420.494 4.150 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000511491648 920101915 /nfs/dbraw/zinc/10/19/15/920101915.db2.gz OLZVMLRPNDWCIE-SFHVURJKSA-N 1 0 410.518 4.004 20 5 HIBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496257 920105652 /nfs/dbraw/zinc/10/56/52/920105652.db2.gz UGRDPPXTAOTBAF-NVXWUHKLSA-N 1 0 416.547 4.235 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511550762 920181998 /nfs/dbraw/zinc/18/19/98/920181998.db2.gz AZSBAFLJVWHEFK-LJQANCHMSA-N 1 0 423.391 4.481 20 5 HIBDRO C[C@@H]1C[C@@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@@H+]1Cc1ccccc1 ZINC000511642884 920308185 /nfs/dbraw/zinc/30/81/85/920308185.db2.gz KNESGAHHTBJAHX-SJLPKXTDSA-N 1 0 408.502 4.192 20 5 HIBDRO Cc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000511752135 920430649 /nfs/dbraw/zinc/43/06/49/920430649.db2.gz IVZAIASLJOUHPE-XZOQPEGZSA-N 1 0 415.493 4.301 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000511760186 920440774 /nfs/dbraw/zinc/44/07/74/920440774.db2.gz WFWOAVIZTIROFH-LJQANCHMSA-N 1 0 401.894 4.279 20 5 HIBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511772070 920460635 /nfs/dbraw/zinc/46/06/35/920460635.db2.gz SBYTZZCYQBELEB-NRFANRHFSA-N 1 0 411.502 4.024 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000512213407 920960510 /nfs/dbraw/zinc/96/05/10/920960510.db2.gz RGUYXUDUMLXJFW-NOXFTYBFSA-N 1 0 422.529 4.142 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000512213408 920960750 /nfs/dbraw/zinc/96/07/50/920960750.db2.gz RGUYXUDUMLXJFW-RFWXGWTQSA-N 1 0 422.529 4.142 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)co2)cc1 ZINC000512295162 921050643 /nfs/dbraw/zinc/05/06/43/921050643.db2.gz SCYLLSSYFLQADM-XMMPIXPASA-N 1 0 418.497 4.348 20 5 HIBDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000513498885 921848490 /nfs/dbraw/zinc/84/84/90/921848490.db2.gz CJZXXWPDAUCISX-UHFFFAOYSA-N 1 0 412.467 4.408 20 5 HIBDRO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000513637546 921961639 /nfs/dbraw/zinc/96/16/39/921961639.db2.gz LEWMGWZDWNRZNP-UHFFFAOYSA-N 1 0 423.444 4.274 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000513729027 922049811 /nfs/dbraw/zinc/04/98/11/922049811.db2.gz LTTRXHPOWHUIOH-AZUAARDMSA-N 1 0 419.428 4.100 20 5 HIBDRO Cn1ccnc1[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513762691 922081123 /nfs/dbraw/zinc/08/11/23/922081123.db2.gz SJGROVYAMMOUKL-QHCPKHFHSA-N 1 0 419.529 4.193 20 5 HIBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000513827917 922154618 /nfs/dbraw/zinc/15/46/18/922154618.db2.gz ZDZAMBHFPKVHHX-HZPDHXFCSA-N 1 0 416.566 4.116 20 5 HIBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000513827916 922154975 /nfs/dbraw/zinc/15/49/75/922154975.db2.gz ZDZAMBHFPKVHHX-HOTGVXAUSA-N 1 0 416.566 4.116 20 5 HIBDRO CCC1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000513990387 922311641 /nfs/dbraw/zinc/31/16/41/922311641.db2.gz VPKDRRKVEKFFTR-UHFFFAOYSA-N 1 0 410.518 4.086 20 5 HIBDRO CCC1(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000514056996 922379531 /nfs/dbraw/zinc/37/95/31/922379531.db2.gz PHWMXZLUOWCXSG-UHFFFAOYSA-N 1 0 411.502 4.026 20 5 HIBDRO CCC1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000514059075 922381945 /nfs/dbraw/zinc/38/19/45/922381945.db2.gz ILBQRFXHSWAAPV-UHFFFAOYSA-N 1 0 409.530 4.336 20 5 HIBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c(C)o1 ZINC000514094149 922416508 /nfs/dbraw/zinc/41/65/08/922416508.db2.gz MAGHEMRNTCMULY-UHFFFAOYSA-N 1 0 423.469 4.459 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC ZINC000514786589 922802205 /nfs/dbraw/zinc/80/22/05/922802205.db2.gz HEHPTPZQQBGTHC-LSDHHAIUSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)[NH+]2CCCCC2)cc1 ZINC000515113687 922925265 /nfs/dbraw/zinc/92/52/65/922925265.db2.gz VPRWWIIVBYMJNA-NRFANRHFSA-N 1 0 412.490 4.261 20 5 HIBDRO CC(C)c1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)cc1[N+](=O)[O-] ZINC000517187656 924044023 /nfs/dbraw/zinc/04/40/23/924044023.db2.gz SUPAWLFVGUVYTH-OAQYLSRUSA-N 1 0 424.545 4.497 20 5 HIBDRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000517535045 924250502 /nfs/dbraw/zinc/25/05/02/924250502.db2.gz WYOSBUQGNKEKIY-UHFFFAOYSA-N 1 0 415.449 4.355 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000517537238 924251746 /nfs/dbraw/zinc/25/17/46/924251746.db2.gz MOTLWDPFSUDSQP-DHIUTWEWSA-N 1 0 417.513 4.164 20 5 HIBDRO CN(c1ccccc1)c1ccc(CNCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000517546092 924257316 /nfs/dbraw/zinc/25/73/16/924257316.db2.gz RDUXKCYPNNXQGU-UHFFFAOYSA-N 1 0 424.545 4.097 20 5 HIBDRO O=C(CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1Cc2ccccc2C1 ZINC000517708899 926807589 /nfs/dbraw/zinc/80/75/89/926807589.db2.gz FGTDXUVJFCWTBA-UHFFFAOYSA-N 1 0 405.454 4.267 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518457901 927289013 /nfs/dbraw/zinc/28/90/13/927289013.db2.gz VSSHMERKXYCBJE-UHFFFAOYSA-N 1 0 420.469 4.129 20 5 HIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520056956 928282880 /nfs/dbraw/zinc/28/28/80/928282880.db2.gz HASJYJJFRDDNJO-UHFFFAOYSA-N 1 0 405.458 4.019 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](c3ccccc3)N3CCOCC3)s2)cc1 ZINC000520192581 928378760 /nfs/dbraw/zinc/37/87/60/928378760.db2.gz MVMXYRKDASYBRD-QFIPXVFZSA-N 1 0 423.538 4.486 20 5 HIBDRO CC[NH+](CC)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000520470133 928586084 /nfs/dbraw/zinc/58/60/84/928586084.db2.gz HAPSGRMZUIPZPP-SFHVURJKSA-N 1 0 424.423 4.208 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CCCCC2)cc1 ZINC000520954811 928888399 /nfs/dbraw/zinc/88/83/99/928888399.db2.gz OWTCIBUOGLDARY-UHFFFAOYSA-N 1 0 405.502 4.023 20 5 HIBDRO C[C@H]1CN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000520955838 928888745 /nfs/dbraw/zinc/88/87/45/928888745.db2.gz YAUOYYHPDVQGCJ-IRXDYDNUSA-N 1 0 417.481 4.115 20 5 HIBDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520964857 928893034 /nfs/dbraw/zinc/89/30/34/928893034.db2.gz APWWUBVILAJKKQ-CYBMUJFWSA-N 1 0 410.312 4.437 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)cc2)C1 ZINC000521064269 928969693 /nfs/dbraw/zinc/96/96/93/928969693.db2.gz BWJHLEDTWKDZOC-OAHLLOKOSA-N 1 0 420.469 4.333 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524653288 929765742 /nfs/dbraw/zinc/76/57/42/929765742.db2.gz SGBJYTIRPWHCDU-CZUORRHYSA-N 1 0 403.866 4.253 20 5 HIBDRO C[C@H]([NH2+][C@@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000524888348 929874510 /nfs/dbraw/zinc/87/45/10/929874510.db2.gz PBMQOWHWSHKWFI-MBSDFSHPSA-N 1 0 419.481 4.470 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000525057927 930009211 /nfs/dbraw/zinc/00/92/11/930009211.db2.gz YYRSBWDUSGEVPG-KKSFZXQISA-N 1 0 416.547 4.048 20 5 HIBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000525358286 930194478 /nfs/dbraw/zinc/19/44/78/930194478.db2.gz JRNFIYQYSZMYFQ-PXNSSMCTSA-N 1 0 410.518 4.465 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccs1 ZINC000525556058 930323882 /nfs/dbraw/zinc/32/38/82/930323882.db2.gz QBSJAFBOUZTOGO-IFXJQAMLSA-N 1 0 407.923 4.052 20 5 HIBDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000530933786 930862062 /nfs/dbraw/zinc/86/20/62/930862062.db2.gz RCWNHWFEXDUDSS-ITEABVRESA-N 1 0 406.504 4.033 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000530972879 930872426 /nfs/dbraw/zinc/87/24/26/930872426.db2.gz CAQGDQGESSDSEA-HLHCEBLESA-N 1 0 403.866 4.118 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCN(c4ncccc4Cl)C3)cs2)c1 ZINC000531811059 931205828 /nfs/dbraw/zinc/20/58/28/931205828.db2.gz VSWVKNFARIVJEV-AWEZNQCLSA-N 1 0 415.906 4.135 20 5 HIBDRO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[nH]n1 ZINC000532015696 931284912 /nfs/dbraw/zinc/28/49/12/931284912.db2.gz QDRAMJNJJYFCBC-NSHDSACASA-N 1 0 419.279 4.370 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000532651283 931569301 /nfs/dbraw/zinc/56/93/01/931569301.db2.gz QDFRNQQJIOYSNW-CTNGQTDRSA-N 1 0 424.545 4.217 20 5 HIBDRO COCCC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000532675498 931579863 /nfs/dbraw/zinc/57/98/63/931579863.db2.gz QIGIENLBKNMFGU-UHFFFAOYSA-N 1 0 406.486 4.354 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] ZINC000532690954 931586865 /nfs/dbraw/zinc/58/68/65/931586865.db2.gz LKUPERZWQHTRQC-INIZCTEOSA-N 1 0 412.421 4.172 20 5 HIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000532693979 931589212 /nfs/dbraw/zinc/58/92/12/931589212.db2.gz DVZAHYVLUJGIGN-HOTGVXAUSA-N 1 0 400.454 4.329 20 5 HIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c2c(c1)COCO2 ZINC000532780109 931629388 /nfs/dbraw/zinc/62/93/88/931629388.db2.gz WMUMHTNKPLVLIA-CYBMUJFWSA-N 1 0 413.405 4.121 20 5 HIBDRO COc1ccc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000532888870 931680397 /nfs/dbraw/zinc/68/03/97/931680397.db2.gz GTUNRQOPADZJOU-UHFFFAOYSA-N 1 0 412.490 4.030 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000532904132 931686348 /nfs/dbraw/zinc/68/63/48/931686348.db2.gz FDFQYGUUKDCVTN-INIZCTEOSA-N 1 0 424.482 4.340 20 5 HIBDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000533024891 931742114 /nfs/dbraw/zinc/74/21/14/931742114.db2.gz IZVVVTLWWFLHOD-MRXNPFEDSA-N 1 0 415.490 4.236 20 5 HIBDRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533033081 931747218 /nfs/dbraw/zinc/74/72/18/931747218.db2.gz UTTAJVKARGXCNH-ZDUSSCGKSA-N 1 0 412.471 4.196 20 5 HIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000533369211 931850877 /nfs/dbraw/zinc/85/08/77/931850877.db2.gz BUDGLRLDAUUQTF-INIZCTEOSA-N 1 0 412.421 4.042 20 5 HIBDRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000533372904 931852033 /nfs/dbraw/zinc/85/20/33/931852033.db2.gz KBFRBRIZNSHAIR-UHFFFAOYSA-N 1 0 418.291 4.208 20 5 HIBDRO O=C(CC[NH+]1CCC(Oc2ccccc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533607319 931921923 /nfs/dbraw/zinc/92/19/23/931921923.db2.gz VPXYWHGBQZTKJW-UHFFFAOYSA-N 1 0 403.866 4.120 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533855084 932063837 /nfs/dbraw/zinc/06/38/37/932063837.db2.gz OPZAHFQVFFNTHI-UHFFFAOYSA-N 1 0 408.502 4.213 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534228267 932348284 /nfs/dbraw/zinc/34/82/84/932348284.db2.gz HMHKBGXPMWOZGO-KUHUBIRLSA-N 1 0 405.857 4.119 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCO1 ZINC000534467861 932487477 /nfs/dbraw/zinc/48/74/77/932487477.db2.gz QGUFUCACQFHXIO-UXHICEINSA-N 1 0 400.475 4.230 20 5 HIBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@H](c1cccs1)c1ccccc1 ZINC000534509909 932539594 /nfs/dbraw/zinc/53/95/94/932539594.db2.gz PENLHCLVVXYTGR-QHCPKHFHSA-N 1 0 421.522 4.310 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@@H+]1Cc1ccccc1 ZINC000534995800 932881112 /nfs/dbraw/zinc/88/11/12/932881112.db2.gz DGQOJPKQCKSIJD-SJLPKXTDSA-N 1 0 406.486 4.107 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)[C@H]1CCCO1 ZINC000535187643 933003178 /nfs/dbraw/zinc/00/31/78/933003178.db2.gz XDOVQHMIWCSZGR-VQTJNVASSA-N 1 0 400.475 4.230 20 5 HIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)nc2c1 ZINC000535665702 933310602 /nfs/dbraw/zinc/31/06/02/933310602.db2.gz LPCHLTMHNRIESJ-INIZCTEOSA-N 1 0 418.457 4.209 20 5 HIBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000535669870 933315700 /nfs/dbraw/zinc/31/57/00/933315700.db2.gz DIAPGXWHHQUXEI-BEFAXECRSA-N 1 0 405.857 4.119 20 5 HIBDRO COc1ccc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535765450 933379013 /nfs/dbraw/zinc/37/90/13/933379013.db2.gz UZVMDSZNEQKCEQ-HOTGVXAUSA-N 1 0 400.475 4.228 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000536009712 933567870 /nfs/dbraw/zinc/56/78/70/933567870.db2.gz KRTKZXBWZGSJQM-SFHVURJKSA-N 1 0 422.529 4.095 20 5 HIBDRO CCC[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000537434347 933773614 /nfs/dbraw/zinc/77/36/14/933773614.db2.gz GEFXSXIFBRXVCM-JOCHJYFZSA-N 1 0 410.518 4.245 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](CC4CCOCC4)CC3)o2)c(Cl)c1 ZINC000537628501 938339574 /nfs/dbraw/zinc/33/95/74/938339574.db2.gz NUXXIZWEKICJNY-UHFFFAOYSA-N 1 0 419.909 4.052 20 5 HIBDRO COc1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000537631463 938341287 /nfs/dbraw/zinc/34/12/87/938341287.db2.gz MXCALUMZEUDQHW-XLIONFOSSA-N 1 0 413.518 4.097 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)o2)c(Br)c1 ZINC000537647451 938345486 /nfs/dbraw/zinc/34/54/86/938345486.db2.gz QJCRFJCVTYNCQL-KGLIPLIRSA-N 1 0 421.291 4.476 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537775415 938374320 /nfs/dbraw/zinc/37/43/20/938374320.db2.gz BCFSWAPYPUZFIN-APWZRJJASA-N 1 0 400.475 4.087 20 5 HIBDRO CC[N@H+](CCC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537848820 938389281 /nfs/dbraw/zinc/38/92/81/938389281.db2.gz AWINCPSDGJXKTM-UHFFFAOYSA-N 1 0 422.957 4.021 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537918663 938413429 /nfs/dbraw/zinc/41/34/29/938413429.db2.gz CZJUQGCMCFUZFC-IAGOWNOFSA-N 1 0 417.531 4.181 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000538149043 938521286 /nfs/dbraw/zinc/52/12/86/938521286.db2.gz GNXINERREZUQKB-OAHLLOKOSA-N 1 0 403.504 4.116 20 5 HIBDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000538151109 938522892 /nfs/dbraw/zinc/52/28/92/938522892.db2.gz OGYUVPFLXJGXAU-CYBMUJFWSA-N 1 0 421.881 4.335 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000538233620 938567963 /nfs/dbraw/zinc/56/79/63/938567963.db2.gz XKXXGUJOUVHZJX-KSFYIVLOSA-N 1 0 402.454 4.113 20 5 HIBDRO Cn1cc(C[NH2+]CCOc2cccc(Cl)c2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538369341 938605250 /nfs/dbraw/zinc/60/52/50/938605250.db2.gz DKSOWQNZNCWTFQ-UHFFFAOYSA-N 1 0 421.284 4.471 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538720205 938689939 /nfs/dbraw/zinc/68/99/39/938689939.db2.gz MEKUMLOASOIZPJ-GOSISDBHSA-N 1 0 422.460 4.229 20 5 HIBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000538722188 938691174 /nfs/dbraw/zinc/69/11/74/938691174.db2.gz AYXXOFNPOOLHMR-OAHLLOKOSA-N 1 0 403.866 4.128 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000538834500 938722282 /nfs/dbraw/zinc/72/22/82/938722282.db2.gz ZWHPFAFGSXZTSB-KRWDZBQOSA-N 1 0 417.531 4.258 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000538915900 938737478 /nfs/dbraw/zinc/73/74/78/938737478.db2.gz ANBLNVCDHGLQOC-KRWDZBQOSA-N 1 0 419.591 4.436 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000539080696 938798202 /nfs/dbraw/zinc/79/82/02/938798202.db2.gz AVNANHYZZOEJAV-KBPBESRZSA-N 1 0 411.487 4.181 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000539269229 938830625 /nfs/dbraw/zinc/83/06/25/938830625.db2.gz CWQRVQHNMWMBOX-MRXNPFEDSA-N 1 0 415.490 4.236 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539274378 938831441 /nfs/dbraw/zinc/83/14/41/938831441.db2.gz MKBOTWXXJRGUQL-WZONZLPQSA-N 1 0 403.482 4.346 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000539286219 938833527 /nfs/dbraw/zinc/83/35/27/938833527.db2.gz GBCOPENEGOBRHI-KBPBESRZSA-N 1 0 413.865 4.112 20 5 HIBDRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000539314727 938839823 /nfs/dbraw/zinc/83/98/23/938839823.db2.gz KDQKTOXTFITTQP-UHFFFAOYSA-N 1 0 424.682 4.228 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000539324780 938841279 /nfs/dbraw/zinc/84/12/79/938841279.db2.gz FSEMBYDSFKDGHO-OAQYLSRUSA-N 1 0 401.438 4.202 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1[N+](=O)[O-] ZINC000539376540 938851173 /nfs/dbraw/zinc/85/11/73/938851173.db2.gz JDMGQUJWLXECGP-NSHDSACASA-N 1 0 421.379 4.088 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000539380879 938852107 /nfs/dbraw/zinc/85/21/07/938852107.db2.gz ZBOHPKLOABCBDS-QGZVFWFLSA-N 1 0 418.497 4.351 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCN(c4ncccn4)C3)o2)c(Cl)c1 ZINC000539427919 938859178 /nfs/dbraw/zinc/85/91/78/938859178.db2.gz AEANCLNFWRRZLS-AWEZNQCLSA-N 1 0 413.865 4.057 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539635533 938891404 /nfs/dbraw/zinc/89/14/04/938891404.db2.gz SYYPPJVRDQZAIK-CABCVRRESA-N 1 0 420.428 4.228 20 5 HIBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539828498 938949321 /nfs/dbraw/zinc/94/93/21/938949321.db2.gz APNYOIXKNBRHFU-LPHOPBHVSA-N 1 0 416.522 4.198 20 5 HIBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894192 938969656 /nfs/dbraw/zinc/96/96/56/938969656.db2.gz GFBLFYXSFPHPLA-YFZFPPMRSA-N 1 0 419.909 4.192 20 5 HIBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894187 938969909 /nfs/dbraw/zinc/96/99/09/938969909.db2.gz GFBLFYXSFPHPLA-MMACOIQUSA-N 1 0 419.909 4.192 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)cc1[N+](=O)[O-] ZINC000540172861 939102596 /nfs/dbraw/zinc/10/25/96/939102596.db2.gz AWWGXJWDRCCPBQ-HNNXBMFYSA-N 1 0 407.264 4.369 20 5 HIBDRO O=C(C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000540377881 939218084 /nfs/dbraw/zinc/21/80/84/939218084.db2.gz ZRNOCTMJNMKNAO-IBGZPJMESA-N 1 0 418.291 4.427 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000540405072 939236409 /nfs/dbraw/zinc/23/64/09/939236409.db2.gz WKPDNXWBRSTIIZ-HXUWFJFHSA-N 1 0 403.866 4.326 20 5 HIBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540461990 939261852 /nfs/dbraw/zinc/26/18/52/939261852.db2.gz JXEKCKUHBVJKIL-INIZCTEOSA-N 1 0 407.474 4.077 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] ZINC000540475745 939266963 /nfs/dbraw/zinc/26/69/63/939266963.db2.gz CIUSTYBGWFJRQJ-GFCCVEGCSA-N 1 0 402.501 4.378 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000540577325 939309750 /nfs/dbraw/zinc/30/97/50/939309750.db2.gz QQHDIULTICDYMW-IMMZDGJCSA-N 1 0 416.319 4.487 20 5 HIBDRO COc1cc(C[NH2+]Cc2cc3c(s2)CCCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000540918959 939417400 /nfs/dbraw/zinc/41/74/00/939417400.db2.gz VOBCNTYIJGASNQ-UHFFFAOYSA-N 1 0 412.458 4.477 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000541187461 939484915 /nfs/dbraw/zinc/48/49/15/939484915.db2.gz SUJZIIJTOBLKFJ-CQSZACIVSA-N 1 0 423.560 4.135 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541541057 939547769 /nfs/dbraw/zinc/54/77/69/939547769.db2.gz AGGBJNZAUVKSMF-HNNXBMFYSA-N 1 0 416.909 4.355 20 5 HIBDRO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541584879 939560728 /nfs/dbraw/zinc/56/07/28/939560728.db2.gz AQYYVYXKVUKUHH-KXBFYZLASA-N 1 0 419.522 4.488 20 5 HIBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541696459 939607561 /nfs/dbraw/zinc/60/75/61/939607561.db2.gz JHPPYLCHVHJMCM-KXBFYZLASA-N 1 0 421.856 4.178 20 5 HIBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000542463668 939827609 /nfs/dbraw/zinc/82/76/09/939827609.db2.gz IKMOZRIWLIKHMK-UHFFFAOYSA-N 1 0 405.882 4.387 20 5 HIBDRO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1c1cccnc1 ZINC000542483007 939831334 /nfs/dbraw/zinc/83/13/34/939831334.db2.gz UHGLATODJJBATH-SFHVURJKSA-N 1 0 408.483 4.004 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542514322 939835382 /nfs/dbraw/zinc/83/53/82/939835382.db2.gz GAEPDTJYTYQZAF-HNNXBMFYSA-N 1 0 403.454 4.197 20 5 HIBDRO 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 939838110 /nfs/dbraw/zinc/83/81/10/939838110.db2.gz VGMGPIFBJDTBHM-DVSDUFGPSA-N 1 0 413.493 4.110 20 5 HIBDRO C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542613328 939848508 /nfs/dbraw/zinc/84/85/08/939848508.db2.gz SVGQJGPUHYSRGX-IRXDYDNUSA-N 1 0 413.493 4.386 20 5 HIBDRO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000542962448 939886999 /nfs/dbraw/zinc/88/69/99/939886999.db2.gz QJNMSYOOXYDCDJ-QFBILLFUSA-N 1 0 412.490 4.120 20 5 HIBDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1F ZINC000543186015 939989655 /nfs/dbraw/zinc/98/96/55/939989655.db2.gz QWCIMMBWMPHRRM-SFHVURJKSA-N 1 0 414.886 4.148 20 5 HIBDRO CCc1ccc([C@H]([NH2+]CCCc2nnc3n2CCCCC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543424378 940060158 /nfs/dbraw/zinc/06/01/58/940060158.db2.gz SZTQMZJCIXZHOL-HSZRJFAPSA-N 1 0 423.517 4.380 20 5 HIBDRO CCc1ccc([C@@H](NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422833 940060172 /nfs/dbraw/zinc/06/01/72/940060172.db2.gz NOWLQDYXOXYJKH-IXFSTUDKSA-N 1 0 415.534 4.319 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccs1 ZINC000543443963 940065112 /nfs/dbraw/zinc/06/51/12/940065112.db2.gz BDNCOISJBFKOKM-CYBMUJFWSA-N 1 0 402.398 4.100 20 5 HIBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000543444691 940065735 /nfs/dbraw/zinc/06/57/35/940065735.db2.gz QTSHJIFZUMMGPG-UHFFFAOYSA-N 1 0 416.425 4.271 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000543453451 940067658 /nfs/dbraw/zinc/06/76/58/940067658.db2.gz OKEQCHKJBQPAKK-SFHVURJKSA-N 1 0 411.483 4.177 20 5 HIBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560274 940108403 /nfs/dbraw/zinc/10/84/03/940108403.db2.gz ZRBRHENBKUAAMQ-MJGOQNOKSA-N 1 0 412.421 4.136 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000543642588 940147073 /nfs/dbraw/zinc/14/70/73/940147073.db2.gz SIBVYYMVVRUZJO-WBVHZDCISA-N 1 0 400.454 4.156 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1OC ZINC000543813531 940194774 /nfs/dbraw/zinc/19/47/74/940194774.db2.gz GPXBXTNFUMKAGU-APWZRJJASA-N 1 0 406.523 4.419 20 5 HIBDRO CCN1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000544029174 940304218 /nfs/dbraw/zinc/30/42/18/940304218.db2.gz SKKGWWZEDMTSHC-QLAXGMPUSA-N 1 0 405.420 4.450 20 5 HIBDRO CC(C)c1ccc(OC2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000544072516 940317697 /nfs/dbraw/zinc/31/76/97/940317697.db2.gz ZFEWEVFRNHENHG-LJQANCHMSA-N 1 0 414.502 4.001 20 5 HIBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000544120145 940331798 /nfs/dbraw/zinc/33/17/98/940331798.db2.gz NKYIMGYARYYPQJ-WDEREUQCSA-N 1 0 403.237 4.131 20 5 HIBDRO C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000544511014 940462355 /nfs/dbraw/zinc/46/23/55/940462355.db2.gz NYQKYXKNEUVGTR-VLIAUNLRSA-N 1 0 419.884 4.444 20 5 HIBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccs2)cc1 ZINC000544571857 940482062 /nfs/dbraw/zinc/48/20/62/940482062.db2.gz BVJVAJFCBDRYMC-OAHLLOKOSA-N 1 0 416.524 4.448 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)cc1 ZINC000544598960 940487703 /nfs/dbraw/zinc/48/77/03/940487703.db2.gz PVLNSSVHVHOYOT-UHFFFAOYSA-N 1 0 420.487 4.026 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000544610829 940490211 /nfs/dbraw/zinc/49/02/11/940490211.db2.gz ADCNXTFESIIYBC-HNNXBMFYSA-N 1 0 404.308 4.282 20 5 HIBDRO CC[C@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000544760544 940511377 /nfs/dbraw/zinc/51/13/77/940511377.db2.gz AHGXZAVHFDYQHC-PXNSSMCTSA-N 1 0 421.501 4.302 20 5 HIBDRO C[NH+](C)Cc1cc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F ZINC000545746581 940583512 /nfs/dbraw/zinc/58/35/12/940583512.db2.gz IZCPUXLDVQVSET-UHFFFAOYSA-N 1 0 420.828 4.120 20 5 HIBDRO Cc1cc(Br)cn2cc(CC[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])nc12 ZINC000546266496 940752512 /nfs/dbraw/zinc/75/25/12/940752512.db2.gz XEIUCCLITUDAGX-GQCTYLIASA-N 1 0 415.291 4.159 20 5 HIBDRO Cc1cc(Br)cn2cc(CC[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])nc12 ZINC000546266497 940752901 /nfs/dbraw/zinc/75/29/01/940752901.db2.gz XEIUCCLITUDAGX-XQRVVYSFSA-N 1 0 415.291 4.159 20 5 HIBDRO Cc1cc(Cc2noc(-c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)n2)ccc1[N+](=O)[O-] ZINC000546558457 940852613 /nfs/dbraw/zinc/85/26/13/940852613.db2.gz UXSXRHDDXAPQRM-IAGOWNOFSA-N 1 0 422.485 4.153 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000546872139 940898845 /nfs/dbraw/zinc/89/88/45/940898845.db2.gz IQVRJUYSCCGTNO-JZKQVHKSSA-N 1 0 405.882 4.331 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000546983918 940938206 /nfs/dbraw/zinc/93/82/06/940938206.db2.gz MNPQQQCTEKMAFZ-UHFFFAOYSA-N 1 0 412.446 4.041 20 5 HIBDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4ccccc4[N+](=O)[O-])n3)cc2Cl)CC1 ZINC000547189042 941025639 /nfs/dbraw/zinc/02/56/39/941025639.db2.gz PDAMWECCJJDKSW-UHFFFAOYSA-N 1 0 413.865 4.107 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000547284640 941052226 /nfs/dbraw/zinc/05/22/26/941052226.db2.gz HYLXFLBWSWSCDX-UHFFFAOYSA-N 1 0 401.482 4.170 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000548974385 941136918 /nfs/dbraw/zinc/13/69/18/941136918.db2.gz KCYCCUMVLWWFHN-QGZVFWFLSA-N 1 0 411.502 4.155 20 5 HIBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549171871 941168156 /nfs/dbraw/zinc/16/81/56/941168156.db2.gz NUPQFLHBMQZDAJ-MRXNPFEDSA-N 1 0 409.408 4.101 20 5 HIBDRO COc1ccc(OCc2ccccn2)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549808353 941207908 /nfs/dbraw/zinc/20/79/08/941207908.db2.gz NBIGIQMUFIMZDU-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000550659597 941351382 /nfs/dbraw/zinc/35/13/82/941351382.db2.gz UHTDUYIARAKIIX-CQSZACIVSA-N 1 0 403.445 4.134 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 ZINC000550906934 941381046 /nfs/dbraw/zinc/38/10/46/941381046.db2.gz CEHQJRVJOCOFFO-SJORKVTESA-N 1 0 420.469 4.247 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000550970522 941388301 /nfs/dbraw/zinc/38/83/01/941388301.db2.gz MPIUOFPRSVZEAP-QUCCMNQESA-N 1 0 409.530 4.384 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000551242900 941434440 /nfs/dbraw/zinc/43/44/40/941434440.db2.gz YCEMFHMAXYAVNR-LLGFUMIMSA-N 1 0 413.493 4.397 20 5 HIBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000551563376 941501913 /nfs/dbraw/zinc/50/19/13/941501913.db2.gz GGYFBTVWLQICHN-MDKPJZGXSA-N 1 0 416.543 4.450 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000551822263 941553213 /nfs/dbraw/zinc/55/32/13/941553213.db2.gz BBJPDPCRBWKZJM-INTAXFPDSA-N 1 0 422.529 4.276 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552043566 941572623 /nfs/dbraw/zinc/57/26/23/941572623.db2.gz SFGYPIVEKQJVHO-MBSDFSHPSA-N 1 0 419.529 4.233 20 5 HIBDRO Cc1ccc([C@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000552044446 941572682 /nfs/dbraw/zinc/57/26/82/941572682.db2.gz CCAVTTRSIFQHJA-GOTSBHOMSA-N 1 0 419.529 4.153 20 5 HIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000552057627 941575791 /nfs/dbraw/zinc/57/57/91/941575791.db2.gz ALNQKGCWZGLPBT-YUXAGFNASA-N 1 0 411.502 4.173 20 5 HIBDRO Cn1ccnc1[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068045 941578390 /nfs/dbraw/zinc/57/83/90/941578390.db2.gz GLHCUOGRIVDVRT-VWNXMTODSA-N 1 0 419.529 4.062 20 5 HIBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552334681 941634979 /nfs/dbraw/zinc/63/49/79/941634979.db2.gz UOJBYFNBNISVAF-VQIMIIECSA-N 1 0 411.527 4.445 20 5 HIBDRO CCc1oc2ccccc2c1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000552501707 941689305 /nfs/dbraw/zinc/68/93/05/941689305.db2.gz FWXJQQMRSUTQME-UHFFFAOYSA-N 1 0 411.458 4.373 20 5 HIBDRO COc1ccc(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] ZINC000552636715 941728023 /nfs/dbraw/zinc/72/80/23/941728023.db2.gz WRTIZKDURJOWNC-UHFFFAOYSA-N 1 0 422.485 4.013 20 5 HIBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553488966 941894777 /nfs/dbraw/zinc/89/47/77/941894777.db2.gz DXPBNCVVRNLYPM-UHFFFAOYSA-N 1 0 402.520 4.056 20 5 HIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1OC ZINC000554291474 942092538 /nfs/dbraw/zinc/09/25/38/942092538.db2.gz VYMQIQIMCDMLMQ-QWHCGFSZSA-N 1 0 421.881 4.252 20 5 HIBDRO O=C(CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000554364879 942115483 /nfs/dbraw/zinc/11/54/83/942115483.db2.gz QUQXRYFTCGDTAU-UHFFFAOYSA-N 1 0 410.449 4.423 20 5 HIBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000554740983 942216915 /nfs/dbraw/zinc/21/69/15/942216915.db2.gz FQGYWQRQQWNRPP-IBGZPJMESA-N 1 0 401.463 4.024 20 5 HIBDRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000556220087 942820151 /nfs/dbraw/zinc/82/01/51/942820151.db2.gz PHSIOHQOLGVONX-UHFFFAOYSA-N 1 0 405.882 4.105 20 5 HIBDRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556221610 942820733 /nfs/dbraw/zinc/82/07/33/942820733.db2.gz DUIDOSNQIGOWCU-RTOPAQNCSA-N 1 0 411.477 4.453 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000556316177 942839274 /nfs/dbraw/zinc/83/92/74/942839274.db2.gz RQEQNLRDRFYSHS-UHFFFAOYSA-N 1 0 417.263 4.444 20 5 HIBDRO Cn1ccnc1[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000556896267 942956929 /nfs/dbraw/zinc/95/69/29/942956929.db2.gz YCDMPAIMSUONNH-OAQYLSRUSA-N 1 0 423.542 4.079 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000557837534 943309381 /nfs/dbraw/zinc/30/93/81/943309381.db2.gz OMDPULRUNVWTGK-INIZCTEOSA-N 1 0 405.564 4.289 20 5 HIBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000558040244 943364015 /nfs/dbraw/zinc/36/40/15/943364015.db2.gz NMPZVWTVAURURO-JOCHJYFZSA-N 1 0 424.545 4.079 20 5 HIBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000559395946 943931521 /nfs/dbraw/zinc/93/15/21/943931521.db2.gz XOHLGOLIYANSOL-LJQANCHMSA-N 1 0 421.501 4.055 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559824164 944060843 /nfs/dbraw/zinc/06/08/43/944060843.db2.gz HRNQFGRTRQMZSB-GJZGRUSLSA-N 1 0 413.440 4.340 20 5 HIBDRO CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000560045679 944138776 /nfs/dbraw/zinc/13/87/76/944138776.db2.gz DOGHRZMJCPZWHI-INIZCTEOSA-N 1 0 421.419 4.350 20 5 HIBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000560392698 944229206 /nfs/dbraw/zinc/22/92/06/944229206.db2.gz MBYRUXZTFRBTTH-JQWIXIFHSA-N 1 0 403.237 4.131 20 5 HIBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000560392702 944229404 /nfs/dbraw/zinc/22/94/04/944229404.db2.gz MBYRUXZTFRBTTH-ZYHUDNBSSA-N 1 0 403.237 4.131 20 5 HIBDRO 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 944252185 /nfs/dbraw/zinc/25/21/85/944252185.db2.gz NQBLRODCKCWFTN-XWIAVFTESA-N 1 0 414.449 4.230 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560570022 944258188 /nfs/dbraw/zinc/25/81/88/944258188.db2.gz ZXCQUTIJRRLVEA-JOCHJYFZSA-N 1 0 412.486 4.062 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CO)CC3)o2)c(Br)c1 ZINC000560628896 944279867 /nfs/dbraw/zinc/27/98/67/944279867.db2.gz JBRJVQVLGKJCNN-CYBMUJFWSA-N 1 0 409.280 4.212 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000561755287 944781256 /nfs/dbraw/zinc/78/12/56/944781256.db2.gz WQZGZNSIZGUWQQ-WMZOPIPTSA-N 1 0 405.564 4.432 20 5 HIBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562116990 944949828 /nfs/dbraw/zinc/94/98/28/944949828.db2.gz MNRAHSVDQHTIIK-UHFFFAOYSA-N 1 0 413.905 4.377 20 5 HIBDRO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCC(CO)CC1 ZINC000564325694 945516486 /nfs/dbraw/zinc/51/64/86/945516486.db2.gz OIOKHQFSPMGNKQ-UHFFFAOYSA-N 1 0 420.513 4.430 20 5 HIBDRO C[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000564769928 945755822 /nfs/dbraw/zinc/75/58/22/945755822.db2.gz CJZRAXSPORANHW-KRWDZBQOSA-N 1 0 424.501 4.152 20 5 HIBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000565728541 945872178 /nfs/dbraw/zinc/87/21/78/945872178.db2.gz WHGUUJNRDRPTDL-UHFFFAOYSA-N 1 0 423.439 4.023 20 5 HIBDRO CSc1ccc([C@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000565856049 945895474 /nfs/dbraw/zinc/89/54/74/945895474.db2.gz XHDXSCKSIYWKMI-KRWDZBQOSA-N 1 0 405.545 4.071 20 5 HIBDRO CC(C)N1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569870995 947027006 /nfs/dbraw/zinc/02/70/06/947027006.db2.gz PCELMUSZTATOBP-RXVVDRJESA-N 1 0 415.444 4.063 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000569932953 947044429 /nfs/dbraw/zinc/04/44/29/947044429.db2.gz DTZOESJUODYZCP-NSHDSACASA-N 1 0 410.243 4.176 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000570950425 947396565 /nfs/dbraw/zinc/39/65/65/947396565.db2.gz ANSPTSNXMYCCDC-QGZVFWFLSA-N 1 0 424.501 4.152 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000571932437 947816210 /nfs/dbraw/zinc/81/62/10/947816210.db2.gz XOMALCIMVYWEMW-ZBFHGGJFSA-N 1 0 409.408 4.323 20 5 HIBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000572513625 947921992 /nfs/dbraw/zinc/92/19/92/947921992.db2.gz WWISCIZZSYRJRD-CJNGLKHVSA-N 1 0 414.487 4.171 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OCC(F)F ZINC000572878233 948027985 /nfs/dbraw/zinc/02/79/85/948027985.db2.gz VHGCJFPDKZVSBT-ZDUSSCGKSA-N 1 0 410.417 4.415 20 5 HIBDRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000573633072 948259283 /nfs/dbraw/zinc/25/92/83/948259283.db2.gz XXFWSMPUKFPWHF-JZWVFAODSA-N 1 0 419.529 4.060 20 5 HIBDRO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574438216 948441896 /nfs/dbraw/zinc/44/18/96/948441896.db2.gz GPMCJXCPMFGEBE-ZBFHGGJFSA-N 1 0 421.419 4.254 20 5 HIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC3 ZINC000574923711 948553314 /nfs/dbraw/zinc/55/33/14/948553314.db2.gz RMCHAKZCZULQOI-GAJHUEQPSA-N 1 0 415.497 4.355 20 5 HIBDRO C[C@@H]1CN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164635847 719255561 /nfs/dbraw/zinc/25/55/61/719255561.db2.gz QRZQFPUQEZCMLE-SJORKVTESA-N 1 0 406.486 4.251 20 5 HIBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ccc21 ZINC001164722524 720398732 /nfs/dbraw/zinc/39/87/32/720398732.db2.gz DDIFCVWQTLNANX-RTBURBONSA-N 1 0 409.877 4.045 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731091 720479828 /nfs/dbraw/zinc/47/98/28/720479828.db2.gz VPVAABMCAAKCTL-PMACEKPBSA-N 1 0 419.460 4.044 20 5 HIBDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])C1 ZINC001165037193 721899324 /nfs/dbraw/zinc/89/93/24/721899324.db2.gz LCFCSGAHMDFVDN-LJQANCHMSA-N 1 0 406.486 4.252 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435940022 861205010 /nfs/dbraw/zinc/20/50/10/861205010.db2.gz PQYIOQJCKGRAQG-UHFFFAOYSA-N 1 0 411.505 4.207 20 5 HIBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436152511 861451350 /nfs/dbraw/zinc/45/13/50/861451350.db2.gz MQOUWAGSUWVBMC-UHFFFAOYSA-N 1 0 405.542 4.265 20 5 HIBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436230643 861535463 /nfs/dbraw/zinc/53/54/63/861535463.db2.gz WULOTDJJDGSUNW-UHFFFAOYSA-N 1 0 421.516 4.205 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436246098 861556573 /nfs/dbraw/zinc/55/65/73/861556573.db2.gz JFLCQPGTDSGJFP-SCTDSRPQSA-N 1 0 403.526 4.159 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000007492027 845344488 /nfs/dbraw/zinc/34/44/88/845344488.db2.gz JRAHMRJRXUUVTM-UHFFFAOYSA-N 1 0 408.285 4.296 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000009931964 845604657 /nfs/dbraw/zinc/60/46/57/845604657.db2.gz JDUMARHLBIDUDK-UHFFFAOYSA-N 1 0 422.529 4.111 20 5 HIBDRO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015505613 846055808 /nfs/dbraw/zinc/05/58/08/846055808.db2.gz IRVWYNSHHJHYIF-OAQYLSRUSA-N 1 0 408.433 4.115 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000019538748 846367891 /nfs/dbraw/zinc/36/78/91/846367891.db2.gz KAFLPTMAAOMCMR-OAQYLSRUSA-N 1 0 405.454 4.116 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000025215338 846942958 /nfs/dbraw/zinc/94/29/58/846942958.db2.gz KOQJFNGAOZUTBQ-NHYWBVRUSA-N 1 0 421.906 4.411 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000025330690 846961939 /nfs/dbraw/zinc/96/19/39/846961939.db2.gz VMUSYORVWSZRQT-FQEVSTJZSA-N 1 0 410.499 4.433 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000436399513 861745845 /nfs/dbraw/zinc/74/58/45/861745845.db2.gz JBMBQXYKCFJRKA-CQSZACIVSA-N 1 0 424.423 4.321 20 5 HIBDRO CCc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000026300543 847120738 /nfs/dbraw/zinc/12/07/38/847120738.db2.gz HHOCIZHCWBKDFV-FOIQADDNSA-N 1 0 401.532 4.057 20 5 HIBDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c(C)c1 ZINC000026644917 847180108 /nfs/dbraw/zinc/18/01/08/847180108.db2.gz FDLBUUJIDPDFAU-UHFFFAOYSA-N 1 0 423.513 4.444 20 5 HIBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000027388674 847294332 /nfs/dbraw/zinc/29/43/32/847294332.db2.gz GJHGZJWXJNIYHL-UHFFFAOYSA-N 1 0 409.511 4.466 20 5 HIBDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CC2)c1 ZINC000029417776 847561669 /nfs/dbraw/zinc/56/16/69/847561669.db2.gz VQOHXSLODNLXHW-UHFFFAOYSA-N 1 0 420.469 4.071 20 5 HIBDRO CC[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000029909773 847647998 /nfs/dbraw/zinc/64/79/98/847647998.db2.gz NAXHKGRLIPXNMR-VQIMIIECSA-N 1 0 413.543 4.029 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000030509468 847724522 /nfs/dbraw/zinc/72/45/22/847724522.db2.gz NPWFTCNIXBVPON-NEPJUHHUSA-N 1 0 422.279 4.044 20 5 HIBDRO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132242 849434505 /nfs/dbraw/zinc/43/45/05/849434505.db2.gz CURUIXZJRQGJKN-WIYYLYMNSA-N 1 0 408.458 4.245 20 5 HIBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133551 849436081 /nfs/dbraw/zinc/43/60/81/849436081.db2.gz PGXWCHJGIYSUNC-GHTZIAJQSA-N 1 0 408.458 4.245 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000052611812 849601211 /nfs/dbraw/zinc/60/12/11/849601211.db2.gz WFDIWLDVQNYLEZ-HNNXBMFYSA-N 1 0 405.414 4.166 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713725 849617607 /nfs/dbraw/zinc/61/76/07/849617607.db2.gz BALWDQPUVBBXPJ-QGZVFWFLSA-N 1 0 413.522 4.294 20 5 HIBDRO COc1ccc(C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C2CC2)cc1 ZINC000052867107 849636255 /nfs/dbraw/zinc/63/62/55/849636255.db2.gz JLMVANCUJMJFKS-HNNXBMFYSA-N 1 0 408.458 4.454 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)Nc2ccc(CC[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000056216090 850287595 /nfs/dbraw/zinc/28/75/95/850287595.db2.gz RTGPPSSERKDTQD-SFHVURJKSA-N 1 0 410.518 4.371 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000058853716 850943892 /nfs/dbraw/zinc/94/38/92/850943892.db2.gz SRWMYXWQQPZALP-SFHVURJKSA-N 1 0 418.881 4.215 20 5 HIBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000060168052 851048659 /nfs/dbraw/zinc/04/86/59/851048659.db2.gz BTGNIKCODLHVRZ-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000060269511 851057186 /nfs/dbraw/zinc/05/71/86/851057186.db2.gz NXIWYVBVHHHKNJ-HXUWFJFHSA-N 1 0 415.465 4.052 20 5 HIBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000060691633 851192122 /nfs/dbraw/zinc/19/21/22/851192122.db2.gz OQHBCGZRMZWKGT-OALUTQOASA-N 1 0 416.566 4.216 20 5 HIBDRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002489 851270188 /nfs/dbraw/zinc/27/01/88/851270188.db2.gz OYSOLFGBCVADTQ-UHFFFAOYSA-N 1 0 422.437 4.201 20 5 HIBDRO CCC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000061556328 851403433 /nfs/dbraw/zinc/40/34/33/851403433.db2.gz ODJWBTLQYGRQOO-UHFFFAOYSA-N 1 0 419.529 4.412 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437046556 862239768 /nfs/dbraw/zinc/23/97/68/862239768.db2.gz NPDBNQWSFHBNPW-KBXCAEBGSA-N 1 0 421.419 4.397 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000061596719 851412403 /nfs/dbraw/zinc/41/24/03/851412403.db2.gz PYHIEBSXAWYIRD-UHFFFAOYSA-N 1 0 410.499 4.186 20 5 HIBDRO COc1ccc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 ZINC000063282514 851650646 /nfs/dbraw/zinc/65/06/46/851650646.db2.gz YQLMYDWYZLCGRX-UHFFFAOYSA-N 1 0 406.486 4.476 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000064113172 851829497 /nfs/dbraw/zinc/82/94/97/851829497.db2.gz IMZSDVLLTYGOIM-UHFFFAOYSA-N 1 0 421.501 4.013 20 5 HIBDRO C[NH+](C)CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000064947336 852027791 /nfs/dbraw/zinc/02/77/91/852027791.db2.gz QEPYMNMNRTYPRL-UHFFFAOYSA-N 1 0 402.520 4.055 20 5 HIBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064947207 852028063 /nfs/dbraw/zinc/02/80/63/852028063.db2.gz HWFBUHLJAAAPTI-UHFFFAOYSA-N 1 0 414.531 4.056 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065101917 852063578 /nfs/dbraw/zinc/06/35/78/852063578.db2.gz KSQVBCHQAFOHHW-HNNXBMFYSA-N 1 0 402.520 4.103 20 5 HIBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000065115470 852068210 /nfs/dbraw/zinc/06/82/10/852068210.db2.gz XNMVRFXGXJWQQV-UHFFFAOYSA-N 1 0 410.499 4.100 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)C[C@H](C)O1 ZINC000071952669 852443879 /nfs/dbraw/zinc/44/38/79/852443879.db2.gz XFKOAZHYGRMTNE-CALCHBBNSA-N 1 0 406.486 4.364 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109305974 852949550 /nfs/dbraw/zinc/94/95/50/852949550.db2.gz VUDMXOBTTRFDKP-IEBWSBKVSA-N 1 0 413.543 4.104 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110230710 853077422 /nfs/dbraw/zinc/07/74/22/853077422.db2.gz CLGGUDKTCYLMAI-UHFFFAOYSA-N 1 0 410.499 4.186 20 5 HIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110478368 853105527 /nfs/dbraw/zinc/10/55/27/853105527.db2.gz WFBDVOZZKULIMK-MRXNPFEDSA-N 1 0 412.421 4.042 20 5 HIBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000110695617 853139319 /nfs/dbraw/zinc/13/93/19/853139319.db2.gz GICYKXZAAPYSPP-CQSZACIVSA-N 1 0 416.909 4.073 20 5 HIBDRO CC1CC[NH+](CCCCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000115865752 853269519 /nfs/dbraw/zinc/26/95/19/853269519.db2.gz HULIFYOMSFHGNF-UHFFFAOYSA-N 1 0 424.545 4.449 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000138450606 853386048 /nfs/dbraw/zinc/38/60/48/853386048.db2.gz SIQCRQLMZVUJMG-HNNXBMFYSA-N 1 0 419.909 4.172 20 5 HIBDRO Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000170497833 853666751 /nfs/dbraw/zinc/66/67/51/853666751.db2.gz NMCOICJEXKIKLR-UHFFFAOYSA-N 1 0 412.446 4.296 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000195569353 853687799 /nfs/dbraw/zinc/68/77/99/853687799.db2.gz GQKKSXPDPVGSCF-UHFFFAOYSA-N 1 0 405.564 4.337 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000217230519 853861366 /nfs/dbraw/zinc/86/13/66/853861366.db2.gz HZWBXDMDQKMWMX-DYVFJYSZSA-N 1 0 411.380 4.020 20 5 HIBDRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000236689492 853912491 /nfs/dbraw/zinc/91/24/91/853912491.db2.gz WNXULKADQTVKLJ-HOTGVXAUSA-N 1 0 401.532 4.496 20 5 HIBDRO COc1cc(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237191245 853978644 /nfs/dbraw/zinc/97/86/44/853978644.db2.gz LWJFWLRTUXOPKH-WOJBJXKFSA-N 1 0 413.518 4.145 20 5 HIBDRO COc1cc(C[NH2+]CCc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237193538 853978884 /nfs/dbraw/zinc/97/88/84/853978884.db2.gz PRKXDGKGZYWDPE-UHFFFAOYSA-N 1 0 420.334 4.155 20 5 HIBDRO COCCC[NH+]1CCC(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000237207216 853982597 /nfs/dbraw/zinc/98/25/97/853982597.db2.gz SOXYWFXHSQPQEW-UHFFFAOYSA-N 1 0 417.481 4.117 20 5 HIBDRO COc1cc(C[NH2+][C@](C)(CO)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237250216 853990789 /nfs/dbraw/zinc/99/07/89/853990789.db2.gz NMIKIDUTTJRKIC-XMMPIXPASA-N 1 0 422.481 4.180 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000237449369 854036227 /nfs/dbraw/zinc/03/62/27/854036227.db2.gz IZMZYVSVMVBPFK-UHFFFAOYSA-N 1 0 420.391 4.313 20 5 HIBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237456760 854037167 /nfs/dbraw/zinc/03/71/67/854037167.db2.gz YAJJTKHDHSOIMM-GOEBONIOSA-N 1 0 406.866 4.324 20 5 HIBDRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000237464341 854038084 /nfs/dbraw/zinc/03/80/84/854038084.db2.gz ZLYMSRZMBWRWMF-UHFFFAOYSA-N 1 0 405.454 4.188 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)cc1[N+](=O)[O-] ZINC000237479796 854042268 /nfs/dbraw/zinc/04/22/68/854042268.db2.gz TYGLKIAULCJVIT-UHFFFAOYSA-N 1 0 408.454 4.481 20 5 HIBDRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000237517521 854048588 /nfs/dbraw/zinc/04/85/88/854048588.db2.gz XPKPHPNJSGXXHG-INIZCTEOSA-N 1 0 424.526 4.343 20 5 HIBDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cn2)CCO1 ZINC000237545367 854052301 /nfs/dbraw/zinc/05/23/01/854052301.db2.gz CBVNGDHUXMJXCD-INIZCTEOSA-N 1 0 424.526 4.233 20 5 HIBDRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000237609598 854061976 /nfs/dbraw/zinc/06/19/76/854061976.db2.gz GMEKOGUOUZFDNL-INIZCTEOSA-N 1 0 402.458 4.032 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cs1 ZINC000237708297 854079879 /nfs/dbraw/zinc/07/98/79/854079879.db2.gz BZZJDFJZHQFIRK-NSHDSACASA-N 1 0 406.817 4.092 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437279822 862529188 /nfs/dbraw/zinc/52/91/88/862529188.db2.gz FOWXSMTUBZGDLL-LSDHHAIUSA-N 1 0 413.440 4.340 20 5 HIBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1c(F)cccc1F ZINC000237765248 854091607 /nfs/dbraw/zinc/09/16/07/854091607.db2.gz YSBDRTVGTKMQHD-UHFFFAOYSA-N 1 0 417.437 4.121 20 5 HIBDRO NC(=O)c1cccc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 ZINC000237767577 854092687 /nfs/dbraw/zinc/09/26/87/854092687.db2.gz IDECVMXSQNGPSV-UHFFFAOYSA-N 1 0 411.845 4.429 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000237821410 854104508 /nfs/dbraw/zinc/10/45/08/854104508.db2.gz NPAKOELWOPUZGK-UHFFFAOYSA-N 1 0 424.791 4.232 20 5 HIBDRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000237920186 854119128 /nfs/dbraw/zinc/11/91/28/854119128.db2.gz BIBFUBWRRQXNCQ-CABCVRRESA-N 1 0 403.866 4.174 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(N4CCCCC4)CCOCC3)s2)cc1 ZINC000238000750 854130753 /nfs/dbraw/zinc/13/07/53/854130753.db2.gz WUHMNVWBCAKWNW-UHFFFAOYSA-N 1 0 415.559 4.448 20 5 HIBDRO O=C(CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2ccccc21 ZINC000237997887 854130780 /nfs/dbraw/zinc/13/07/80/854130780.db2.gz HLJLTROZHSZJCU-UHFFFAOYSA-N 1 0 422.510 4.177 20 5 HIBDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000238101130 854143357 /nfs/dbraw/zinc/14/33/57/854143357.db2.gz ADIFNZFTVMHJDK-UHFFFAOYSA-N 1 0 423.494 4.229 20 5 HIBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000247324230 854156825 /nfs/dbraw/zinc/15/68/25/854156825.db2.gz MXVHBRCECABESE-UHFFFAOYSA-N 1 0 410.518 4.203 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000437288230 862542000 /nfs/dbraw/zinc/54/20/00/862542000.db2.gz MMFHUBDZQRBHCX-MRXNPFEDSA-N 1 0 405.376 4.238 20 5 HIBDRO COc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261416995 854255517 /nfs/dbraw/zinc/25/55/17/854255517.db2.gz NALACSBLVZABRC-ZDUSSCGKSA-N 1 0 421.881 4.119 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)C1 ZINC000301083194 854290815 /nfs/dbraw/zinc/29/08/15/854290815.db2.gz GTVLEIYOPBINHP-HNNXBMFYSA-N 1 0 407.474 4.088 20 5 HIBDRO O=c1[nH]cnc2cc(NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)c([N+](=O)[O-])cc12 ZINC000301087675 854292545 /nfs/dbraw/zinc/29/25/45/854292545.db2.gz NHOPMGNSFZRENB-LJQANCHMSA-N 1 0 413.865 4.146 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301121834 854303989 /nfs/dbraw/zinc/30/39/89/854303989.db2.gz SDDWRVMFCSVLNJ-UHFFFAOYSA-N 1 0 422.529 4.216 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000301323433 854359063 /nfs/dbraw/zinc/35/90/63/854359063.db2.gz VXDFHJAAPJSFDZ-MRXNPFEDSA-N 1 0 408.502 4.125 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301528418 854413374 /nfs/dbraw/zinc/41/33/74/854413374.db2.gz JZCQZJWYTKXEBC-ZDUSSCGKSA-N 1 0 405.296 4.390 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301692937 854446263 /nfs/dbraw/zinc/44/62/63/854446263.db2.gz ONGCPZCMBLWIRG-ABAIWWIYSA-N 1 0 411.325 4.309 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301897469 854487980 /nfs/dbraw/zinc/48/79/80/854487980.db2.gz RGZXFQJDGJIXAH-UHFFFAOYSA-N 1 0 405.296 4.137 20 5 HIBDRO COC(=O)/C=C/c1ccc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000301981844 854508637 /nfs/dbraw/zinc/50/86/37/854508637.db2.gz HLUSHIUQDIOSAV-VZUCSPMQSA-N 1 0 424.501 4.055 20 5 HIBDRO Cc1nc(CN2CCC(CNc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)CC2)oc1C ZINC000302204126 854550091 /nfs/dbraw/zinc/55/00/91/854550091.db2.gz WFTWACPCHRKLCC-UHFFFAOYSA-N 1 0 409.490 4.380 20 5 HIBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2cccc([N+](=O)[O-])c2n1 ZINC000302882210 854666381 /nfs/dbraw/zinc/66/63/81/854666381.db2.gz JREKACPLIGHOBC-IBGZPJMESA-N 1 0 406.486 4.020 20 5 HIBDRO O=C1[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303420485 854923123 /nfs/dbraw/zinc/92/31/23/854923123.db2.gz UNAVFEOUYLYROI-XZOQPEGZSA-N 1 0 401.466 4.274 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303539584 855024951 /nfs/dbraw/zinc/02/49/51/855024951.db2.gz HPPAFGWVMVQIJK-MRXNPFEDSA-N 1 0 422.407 4.318 20 5 HIBDRO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000303594565 855067528 /nfs/dbraw/zinc/06/75/28/855067528.db2.gz WDDLYHBOLCGGJB-OAHLLOKOSA-N 1 0 410.946 4.019 20 5 HIBDRO Cc1c(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000327671016 855419354 /nfs/dbraw/zinc/41/93/54/855419354.db2.gz LHYFJCQWPZSKAZ-UHFFFAOYSA-N 1 0 407.264 4.117 20 5 HIBDRO O=C(CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410030258 855786471 /nfs/dbraw/zinc/78/64/71/855786471.db2.gz PQXDMIFYFCPPHW-UHFFFAOYSA-N 1 0 410.449 4.423 20 5 HIBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000426156782 856144735 /nfs/dbraw/zinc/14/47/35/856144735.db2.gz MSPDKNLWEFAHNZ-UHFFFAOYSA-N 1 0 424.501 4.050 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccsc1 ZINC000426259830 856207273 /nfs/dbraw/zinc/20/72/73/856207273.db2.gz BCMMVPAPUOQFPY-FQEVSTJZSA-N 1 0 416.547 4.413 20 5 HIBDRO C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000437464968 862828179 /nfs/dbraw/zinc/82/81/79/862828179.db2.gz ZBFFUMQAJOXCBS-HNNXBMFYSA-N 1 0 421.419 4.350 20 5 HIBDRO C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000437464971 862828259 /nfs/dbraw/zinc/82/82/59/862828259.db2.gz ZBFFUMQAJOXCBS-OAHLLOKOSA-N 1 0 421.419 4.350 20 5 HIBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437585368 862899249 /nfs/dbraw/zinc/89/92/49/862899249.db2.gz WBBDXNCMYXJOCE-INIZCTEOSA-N 1 0 402.882 4.234 20 5 HIBDRO Cc1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000428906211 857406476 /nfs/dbraw/zinc/40/64/76/857406476.db2.gz KZJZKZWLXKHKGD-MRXNPFEDSA-N 1 0 400.479 4.035 20 5 HIBDRO 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 858296346 /nfs/dbraw/zinc/29/63/46/858296346.db2.gz GGEKLFBBSPZTOV-ZMPRRUGASA-N 1 0 416.474 4.022 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431682653 858737471 /nfs/dbraw/zinc/73/74/71/858737471.db2.gz UGSZYNGKTQWZMI-UTKZUKDTSA-N 1 0 410.518 4.040 20 5 HIBDRO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000431692905 858743164 /nfs/dbraw/zinc/74/31/64/858743164.db2.gz QUYIMEANFUOTLL-WEYGHZABSA-N 1 0 410.518 4.398 20 5 HIBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000431781476 858808487 /nfs/dbraw/zinc/80/84/87/858808487.db2.gz ALADMGXPTNKRHU-UHFFFAOYSA-N 1 0 424.339 4.086 20 5 HIBDRO COc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432798668 859365827 /nfs/dbraw/zinc/36/58/27/859365827.db2.gz RBCKBFOYWONHFT-HXUWFJFHSA-N 1 0 413.518 4.099 20 5 HIBDRO COc1ccc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(OC)c1OC ZINC000433166135 859549637 /nfs/dbraw/zinc/54/96/37/859549637.db2.gz DYAJFUVWFZDPAI-SFHVURJKSA-N 1 0 400.475 4.175 20 5 HIBDRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168082 859550870 /nfs/dbraw/zinc/55/08/70/859550870.db2.gz LHHPJPXRXQJSJH-HXOBKFHXSA-N 1 0 409.530 4.328 20 5 HIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433228343 859578809 /nfs/dbraw/zinc/57/88/09/859578809.db2.gz OVEXQADZLREZIL-JXFKEZNVSA-N 1 0 421.476 4.319 20 5 HIBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000434316634 860276984 /nfs/dbraw/zinc/27/69/84/860276984.db2.gz NFTYMRIVXKEUNX-FQEVSTJZSA-N 1 0 419.485 4.107 20 5 HIBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cccc(OC)c3[N+](=O)[O-])ccc21 ZINC000435690443 860972656 /nfs/dbraw/zinc/97/26/56/860972656.db2.gz HHQPSAPCOVNKEM-UHFFFAOYSA-N 1 0 410.474 4.152 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3([S@@](C)=O)CCC3)cc2[N+](=O)[O-])cc1 ZINC000435736747 861019360 /nfs/dbraw/zinc/01/93/60/861019360.db2.gz YSSFRDGFRLYMEJ-HHHXNRCGSA-N 1 0 404.557 4.445 20 5 HIBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 ZINC000435750445 861031121 /nfs/dbraw/zinc/03/11/21/861031121.db2.gz XVTQLWXQSDQMLO-HHHXNRCGSA-N 1 0 408.907 4.431 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437999007 863361186 /nfs/dbraw/zinc/36/11/86/863361186.db2.gz NSKMAJRXMMMBOC-PGRDOPGGSA-N 1 0 422.529 4.179 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437999003 863361450 /nfs/dbraw/zinc/36/14/50/863361450.db2.gz NSKMAJRXMMMBOC-AVRDEDQJSA-N 1 0 422.529 4.179 20 5 HIBDRO C[C@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000467842386 881683115 /nfs/dbraw/zinc/68/31/15/881683115.db2.gz QXHRLDWOROMFCQ-MGPUTAFESA-N 1 0 423.435 4.338 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438320108 863798904 /nfs/dbraw/zinc/79/89/04/863798904.db2.gz BULWUUUAXDAVTR-HXUWFJFHSA-N 1 0 400.523 4.066 20 5 HIBDRO C[NH+](C)CCc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000438554644 863985912 /nfs/dbraw/zinc/98/59/12/863985912.db2.gz BCGWQKZBDWTFDK-UHFFFAOYSA-N 1 0 424.423 4.158 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000439112542 864550257 /nfs/dbraw/zinc/55/02/57/864550257.db2.gz BJHMDPNLZWPFPE-UHFFFAOYSA-N 1 0 411.955 4.038 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000440925099 866021889 /nfs/dbraw/zinc/02/18/89/866021889.db2.gz KXPCHTBPXJWUHQ-BBRMVZONSA-N 1 0 415.877 4.396 20 5 HIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589287 868144396 /nfs/dbraw/zinc/14/43/96/868144396.db2.gz DDORBLIIXACVRT-MRXNPFEDSA-N 1 0 422.957 4.163 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443946469 868482559 /nfs/dbraw/zinc/48/25/59/868482559.db2.gz MKPCUJWFXNVZKE-LJQANCHMSA-N 1 0 411.506 4.125 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000443961508 868495159 /nfs/dbraw/zinc/49/51/59/868495159.db2.gz PWTXYUNEIGCWNZ-KXBFYZLASA-N 1 0 402.520 4.478 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)o1 ZINC000444000406 868520017 /nfs/dbraw/zinc/52/00/17/868520017.db2.gz DHWMCJNVMCYENT-CQSZACIVSA-N 1 0 420.387 4.213 20 5 HIBDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)n(C)n1 ZINC000444000988 868522996 /nfs/dbraw/zinc/52/29/96/868522996.db2.gz AVTATHXWHIJLLU-INIZCTEOSA-N 1 0 411.531 4.124 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444171108 868647505 /nfs/dbraw/zinc/64/75/05/868647505.db2.gz OZOCCIKTBBWBLX-UHFFFAOYSA-N 1 0 405.542 4.169 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000444673663 868950576 /nfs/dbraw/zinc/95/05/76/868950576.db2.gz IPMFKYOVNXTSTN-LBPRGKRZSA-N 1 0 403.389 4.019 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000444803071 869017433 /nfs/dbraw/zinc/01/74/33/869017433.db2.gz NCVADBZIVTYYBG-DLBZAZTESA-N 1 0 416.522 4.141 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000444856690 869058074 /nfs/dbraw/zinc/05/80/74/869058074.db2.gz ZOHNBGRMQVJVGZ-QZTJIDSGSA-N 1 0 405.542 4.169 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000444911449 869099050 /nfs/dbraw/zinc/09/90/50/869099050.db2.gz ZPGFCVKFIGYUNC-INIZCTEOSA-N 1 0 404.511 4.112 20 5 HIBDRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446837036 870755146 /nfs/dbraw/zinc/75/51/46/870755146.db2.gz UTTLGNBPLUNLGB-JTQLQIEISA-N 1 0 407.243 4.094 20 5 HIBDRO O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000447378054 871285144 /nfs/dbraw/zinc/28/51/44/871285144.db2.gz ZKRRTEHQAUHMFA-LBPRGKRZSA-N 1 0 422.304 4.044 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1OC1CCCC1 ZINC000447527124 871391267 /nfs/dbraw/zinc/39/12/67/871391267.db2.gz DIFQIQQWVNKUBD-MOPGFXCFSA-N 1 0 414.506 4.395 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)c1ccncc1 ZINC000447527454 871394065 /nfs/dbraw/zinc/39/40/65/871394065.db2.gz GAYNGTHMCQZBJJ-JOCHJYFZSA-N 1 0 402.454 4.409 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1)C1CCCC1 ZINC000447532490 871397716 /nfs/dbraw/zinc/39/77/16/871397716.db2.gz WKOOBFOSEHHVHR-UXHICEINSA-N 1 0 411.506 4.194 20 5 HIBDRO COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543788 871411395 /nfs/dbraw/zinc/41/13/95/871411395.db2.gz MIXTXBKCYNROQW-VQTJNVASSA-N 1 0 423.473 4.261 20 5 HIBDRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447546460 871417736 /nfs/dbraw/zinc/41/77/36/871417736.db2.gz WBIMKJSZBMMZFH-JOCHJYFZSA-N 1 0 405.454 4.285 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000447556623 871444186 /nfs/dbraw/zinc/44/41/86/871444186.db2.gz IOAUVMSKIUMEQJ-GFCCVEGCSA-N 1 0 416.421 4.176 20 5 HIBDRO COc1cccc(Oc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cn2)c1 ZINC000447560382 871451351 /nfs/dbraw/zinc/45/13/51/871451351.db2.gz CPXMOXKFDUVKRN-UXHICEINSA-N 1 0 423.473 4.261 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC1CCCC1 ZINC000447561233 871454146 /nfs/dbraw/zinc/45/41/46/871454146.db2.gz GZGUPLVXHKDDRD-OALUTQOASA-N 1 0 414.506 4.395 20 5 HIBDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000447581414 871484941 /nfs/dbraw/zinc/48/49/41/871484941.db2.gz UJVLNOVDFMZMMQ-WAIKUNEKSA-N 1 0 411.502 4.106 20 5 HIBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(OCC(F)(F)F)c1 ZINC000447584779 871488622 /nfs/dbraw/zinc/48/86/22/871488622.db2.gz HHDKCMUTWGTUER-HZPDHXFCSA-N 1 0 412.412 4.314 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447674019 871605719 /nfs/dbraw/zinc/60/57/19/871605719.db2.gz YIOUMKKKOVTHFM-UPJWGTAASA-N 1 0 422.398 4.486 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000447688369 871621536 /nfs/dbraw/zinc/62/15/36/871621536.db2.gz XOTUIMAXBFPOIJ-UHFFFAOYSA-N 1 0 422.398 4.346 20 5 HIBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cccc21 ZINC000447722898 871665959 /nfs/dbraw/zinc/66/59/59/871665959.db2.gz LWAZJYQLVQLKBX-QFIPXVFZSA-N 1 0 413.477 4.319 20 5 HIBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448362029 872311201 /nfs/dbraw/zinc/31/12/01/872311201.db2.gz ZDBNQPSUNPFFIA-LAUBAEHRSA-N 1 0 414.502 4.308 20 5 HIBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000461712273 874860445 /nfs/dbraw/zinc/86/04/45/874860445.db2.gz NABGSSWYPAXFDJ-HNNXBMFYSA-N 1 0 415.490 4.102 20 5 HIBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cccc21 ZINC000468875753 882908664 /nfs/dbraw/zinc/90/86/64/882908664.db2.gz FOQJLQBVNBUGDC-GOSISDBHSA-N 1 0 424.482 4.356 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462614411 875726609 /nfs/dbraw/zinc/72/66/09/875726609.db2.gz MCCJQOCRAMPOKF-QIJUGHKUSA-N 1 0 409.530 4.190 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000462778767 875834803 /nfs/dbraw/zinc/83/48/03/875834803.db2.gz RZDFZJFVCXZUQX-NRFANRHFSA-N 1 0 409.530 4.287 20 5 HIBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885775 875913501 /nfs/dbraw/zinc/91/35/01/875913501.db2.gz UGCPYMKMWWTVBR-UWJYYQICSA-N 1 0 423.542 4.339 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000462926877 875955694 /nfs/dbraw/zinc/95/56/94/875955694.db2.gz LNOJEGFTKCAGIV-SFTDATJTSA-N 1 0 401.551 4.134 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000462929568 875958151 /nfs/dbraw/zinc/95/81/51/875958151.db2.gz RRQLXIHZDVMQDH-QFIPXVFZSA-N 1 0 409.530 4.192 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000462934797 875961366 /nfs/dbraw/zinc/96/13/66/875961366.db2.gz DOFFVTQDLHHXRY-FQEVSTJZSA-N 1 0 409.530 4.253 20 5 HIBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC000462945374 875966587 /nfs/dbraw/zinc/96/65/87/875966587.db2.gz OTAIJYVHJUCSLI-GOSISDBHSA-N 1 0 410.518 4.324 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463155873 876209940 /nfs/dbraw/zinc/20/99/40/876209940.db2.gz KQYHZJSTNHIEHO-CHWSQXEVSA-N 1 0 401.429 4.100 20 5 HIBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000463197909 876258724 /nfs/dbraw/zinc/25/87/24/876258724.db2.gz KIGDQUICCLSKAO-RCOXNQKVSA-N 1 0 413.518 4.444 20 5 HIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO ZINC000463362193 876416419 /nfs/dbraw/zinc/41/64/19/876416419.db2.gz SDHQEVDEDTUSJJ-CQSZACIVSA-N 1 0 423.307 4.012 20 5 HIBDRO O=C(C[NH2+][C@@H]1CCCCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000463442526 876501324 /nfs/dbraw/zinc/50/13/24/876501324.db2.gz UWAPFUBALRTKFY-MRXNPFEDSA-N 1 0 410.312 4.388 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)o2)c1 ZINC000463448954 876507948 /nfs/dbraw/zinc/50/79/48/876507948.db2.gz INIWTKFXELLFLJ-XMMPIXPASA-N 1 0 421.497 4.110 20 5 HIBDRO COc1ccc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000464593511 877819930 /nfs/dbraw/zinc/81/99/30/877819930.db2.gz CLJBUWVZUMZXQS-UHFFFAOYSA-N 1 0 400.475 4.054 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464833964 878093719 /nfs/dbraw/zinc/09/37/19/878093719.db2.gz OSGQSIUOLUYONV-RDTXWAMCSA-N 1 0 401.463 4.307 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464952417 878289956 /nfs/dbraw/zinc/28/99/56/878289956.db2.gz NKKVHUCKMDDWAM-KRWDZBQOSA-N 1 0 401.894 4.232 20 5 HIBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000465977716 879648728 /nfs/dbraw/zinc/64/87/28/879648728.db2.gz HUKZDDDWPKIVGP-QFIPXVFZSA-N 1 0 424.545 4.081 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000466812799 880587672 /nfs/dbraw/zinc/58/76/72/880587672.db2.gz LZCUJUBEGMCZPV-ZDUSSCGKSA-N 1 0 405.907 4.081 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000467450306 881253925 /nfs/dbraw/zinc/25/39/25/881253925.db2.gz UTZYZIDNSFGQAN-WMLDXEAASA-N 1 0 409.408 4.432 20 5 HIBDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000469274379 883373187 /nfs/dbraw/zinc/37/31/87/883373187.db2.gz WELZTDJOTXMEFY-PMACEKPBSA-N 1 0 403.429 4.105 20 5 HIBDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000469274401 883373316 /nfs/dbraw/zinc/37/33/16/883373316.db2.gz WELZTDJOTXMEFY-WOJBJXKFSA-N 1 0 403.429 4.105 20 5 HIBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000469771924 883946432 /nfs/dbraw/zinc/94/64/32/883946432.db2.gz HMOLHAFEPFFNQN-GUYCJALGSA-N 1 0 404.479 4.401 20 5 HIBDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470171140 884449752 /nfs/dbraw/zinc/44/97/52/884449752.db2.gz GBJOFKIDVYMCNF-MJSCBBHESA-N 1 0 413.440 4.121 20 5 HIBDRO COc1cc(C[NH2+]CC[C@@H]2CCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503914953 912863092 /nfs/dbraw/zinc/86/30/92/912863092.db2.gz UFBFJZFIJNLTCW-FQEVSTJZSA-N 1 0 400.475 4.231 20 5 HIBDRO COc1ccc(C[NH2+]CC[C@H]2CCCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503933027 912870548 /nfs/dbraw/zinc/87/05/48/912870548.db2.gz VRNAGFADQQHKEI-HXUWFJFHSA-N 1 0 400.475 4.231 20 5 HIBDRO CCc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000471931763 886725164 /nfs/dbraw/zinc/72/51/64/886725164.db2.gz UZFYSDMDKBTTAU-UHFFFAOYSA-N 1 0 424.501 4.224 20 5 HIBDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000471988155 886815059 /nfs/dbraw/zinc/81/50/59/886815059.db2.gz HIGFNPTUFQAJAJ-KNQAVFIVSA-N 1 0 424.501 4.320 20 5 HIBDRO COc1cc(C[NH2+][C@H](CO)c2ccsc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472036463 886855848 /nfs/dbraw/zinc/85/58/48/886855848.db2.gz DYKUEJAWMSGWNZ-LJQANCHMSA-N 1 0 414.483 4.067 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(CO)CCCC2)cc1 ZINC000472141672 886936828 /nfs/dbraw/zinc/93/68/28/886936828.db2.gz GGICPNHMWTXZLH-UHFFFAOYSA-N 1 0 406.486 4.090 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473178861 887958250 /nfs/dbraw/zinc/95/82/50/887958250.db2.gz SBXAPPJOOWRRPA-UHFFFAOYSA-N 1 0 401.413 4.299 20 5 HIBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000473285205 888041010 /nfs/dbraw/zinc/04/10/10/888041010.db2.gz XNJRIJYOZCNHOW-UHFFFAOYSA-N 1 0 421.501 4.106 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473437525 888159158 /nfs/dbraw/zinc/15/91/58/888159158.db2.gz YIEDVNFTERVQHA-QHCPKHFHSA-N 1 0 424.501 4.123 20 5 HIBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473524841 888262452 /nfs/dbraw/zinc/26/24/52/888262452.db2.gz IQSWJXOWDYPJJT-UHFFFAOYSA-N 1 0 417.553 4.068 20 5 HIBDRO 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 888825826 /nfs/dbraw/zinc/82/58/26/888825826.db2.gz SVZSMPKXNXYSLU-RQXXJAGISA-N 1 0 410.518 4.112 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474346524 889221903 /nfs/dbraw/zinc/22/19/03/889221903.db2.gz ISBWFQUBKQOGAF-HXUWFJFHSA-N 1 0 404.438 4.163 20 5 HIBDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccncc1 ZINC000475084357 889930937 /nfs/dbraw/zinc/93/09/37/889930937.db2.gz CUNNZYVIDYIMFR-OAQYLSRUSA-N 1 0 411.483 4.286 20 5 HIBDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccncc1 ZINC000475084355 889931110 /nfs/dbraw/zinc/93/11/10/889931110.db2.gz CUNNZYVIDYIMFR-NRFANRHFSA-N 1 0 411.483 4.286 20 5 HIBDRO CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475170952 890038481 /nfs/dbraw/zinc/03/84/81/890038481.db2.gz BLSQQRLFQXDVPJ-WIYYLYMNSA-N 1 0 410.518 4.270 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000475212495 890081692 /nfs/dbraw/zinc/08/16/92/890081692.db2.gz VEQDPLFUBLNHEF-UHFFFAOYSA-N 1 0 400.401 4.096 20 5 HIBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475212729 890081821 /nfs/dbraw/zinc/08/18/21/890081821.db2.gz NHGOAQFNLQXVKN-UHFFFAOYSA-N 1 0 402.539 4.014 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475276208 890171990 /nfs/dbraw/zinc/17/19/90/890171990.db2.gz OLSKEXBYIJABOF-NRFANRHFSA-N 1 0 424.476 4.316 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475292591 890197134 /nfs/dbraw/zinc/19/71/34/890197134.db2.gz TXZPBUJWCPMHEF-JOCHJYFZSA-N 1 0 400.475 4.183 20 5 HIBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475636718 890577250 /nfs/dbraw/zinc/57/72/50/890577250.db2.gz IQNLYJBSAUECJB-UHFFFAOYSA-N 1 0 404.433 4.340 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000475644231 890587079 /nfs/dbraw/zinc/58/70/79/890587079.db2.gz YZIDLRYVCFJKNR-BEFAXECRSA-N 1 0 402.520 4.478 20 5 HIBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476160152 891086818 /nfs/dbraw/zinc/08/68/18/891086818.db2.gz PPAXAQJSJQZUQU-KKSFZXQISA-N 1 0 410.474 4.478 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000504894382 913625463 /nfs/dbraw/zinc/62/54/63/913625463.db2.gz LCJDBLOYEVLBOF-ZWKOTPCHSA-N 1 0 405.564 4.236 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000504894853 913625534 /nfs/dbraw/zinc/62/55/34/913625534.db2.gz PIEPOCWROMYVCH-SFHVURJKSA-N 1 0 413.543 4.360 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000504900567 913632236 /nfs/dbraw/zinc/63/22/36/913632236.db2.gz ZQRYSJPINXEKSM-GOSISDBHSA-N 1 0 400.548 4.115 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000504911874 913644888 /nfs/dbraw/zinc/64/48/88/913644888.db2.gz NCOAAKIOUMTSEI-HNNXBMFYSA-N 1 0 415.465 4.088 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000477378596 892339083 /nfs/dbraw/zinc/33/90/83/892339083.db2.gz OCPSNPWRWNTVGX-KRWDZBQOSA-N 1 0 401.894 4.151 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000504920041 913656309 /nfs/dbraw/zinc/65/63/09/913656309.db2.gz MLNMTAULUSHTIP-VQIMIIECSA-N 1 0 400.475 4.320 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000477545425 892586504 /nfs/dbraw/zinc/58/65/04/892586504.db2.gz ZKEWWKMZLOQENY-UHFFFAOYSA-N 1 0 423.391 4.230 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000478300822 893517782 /nfs/dbraw/zinc/51/77/82/893517782.db2.gz UXCXZHQTNACJFN-AWEZNQCLSA-N 1 0 418.444 4.298 20 5 HIBDRO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000478563252 893850747 /nfs/dbraw/zinc/85/07/47/893850747.db2.gz QNRSGNAJBQLEGB-IRLDBZIGSA-N 1 0 421.541 4.386 20 5 HIBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000478671244 893921056 /nfs/dbraw/zinc/92/10/56/893921056.db2.gz TZXDWIYOKZYVBE-QZTJIDSGSA-N 1 0 410.518 4.200 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000478938123 894218566 /nfs/dbraw/zinc/21/85/66/894218566.db2.gz JJVOVXZAMNOJIN-MRXNPFEDSA-N 1 0 405.545 4.335 20 5 HIBDRO CSc1cccc(N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C2CC[NH+](C)CC2)c1 ZINC000479004041 894273029 /nfs/dbraw/zinc/27/30/29/894273029.db2.gz VJLGNJDBUQTWAC-UHFFFAOYSA-N 1 0 417.506 4.126 20 5 HIBDRO CC1(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 ZINC000479413229 894721307 /nfs/dbraw/zinc/72/13/07/894721307.db2.gz AGZLGHWVOOEDDA-QGZVFWFLSA-N 1 0 418.291 4.427 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cccc(OCC(F)(F)F)c2)n1 ZINC000479514068 894827212 /nfs/dbraw/zinc/82/72/12/894827212.db2.gz GLEZJKJFSCOHGB-IAGOWNOFSA-N 1 0 412.412 4.048 20 5 HIBDRO CCC[C@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000480081497 895437850 /nfs/dbraw/zinc/43/78/50/895437850.db2.gz FYPFQTKXOMLKRH-XZOQPEGZSA-N 1 0 413.518 4.108 20 5 HIBDRO CC(C)[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000480446324 895835406 /nfs/dbraw/zinc/83/54/06/895835406.db2.gz QCBLKRZKTGTELY-QFIPXVFZSA-N 1 0 408.502 4.333 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)Cc3ccc(F)c(F)c3)o2)cc1 ZINC000480455346 895842337 /nfs/dbraw/zinc/84/23/37/895842337.db2.gz TXOWJNGUIWFLLA-OAHLLOKOSA-N 1 0 402.397 4.074 20 5 HIBDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000480459194 895844710 /nfs/dbraw/zinc/84/47/10/895844710.db2.gz HFHSMTUFQWDLAJ-OPAMFIHVSA-N 1 0 411.527 4.438 20 5 HIBDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480769493 896131666 /nfs/dbraw/zinc/13/16/66/896131666.db2.gz PKZDOCWAXHURBS-INIZCTEOSA-N 1 0 424.526 4.406 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481361815 896741746 /nfs/dbraw/zinc/74/17/46/896741746.db2.gz SISVJDLQCBGKEQ-VOJFVSQTSA-N 1 0 412.273 4.206 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000481442739 896841899 /nfs/dbraw/zinc/84/18/99/896841899.db2.gz NLNHOLPNFGYXHL-VLIAUNLRSA-N 1 0 405.882 4.251 20 5 HIBDRO O=C(C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000481720403 897114139 /nfs/dbraw/zinc/11/41/39/897114139.db2.gz FXBOOXHOSCVLBP-GOSISDBHSA-N 1 0 422.254 4.176 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481872886 897244143 /nfs/dbraw/zinc/24/41/43/897244143.db2.gz JFTBAAAYFVJLLT-GHTZIAJQSA-N 1 0 419.481 4.468 20 5 HIBDRO CCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481875676 897247378 /nfs/dbraw/zinc/24/73/78/897247378.db2.gz QGJPRVHTKZIRAT-FCHUYYIVSA-N 1 0 407.514 4.284 20 5 HIBDRO CCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481874353 897247967 /nfs/dbraw/zinc/24/79/67/897247967.db2.gz LTBCTRLHGNNWAQ-NHCUHLMSSA-N 1 0 423.513 4.120 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000481965451 897355354 /nfs/dbraw/zinc/35/53/54/897355354.db2.gz HGQXLKGNOYHPPI-GOSISDBHSA-N 1 0 417.531 4.138 20 5 HIBDRO Cc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482024148 897430686 /nfs/dbraw/zinc/43/06/86/897430686.db2.gz DDMKMUHWIYTSKI-UHFFFAOYSA-N 1 0 421.501 4.167 20 5 HIBDRO O=C(Nc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)c1ccncc1 ZINC000482114275 897565027 /nfs/dbraw/zinc/56/50/27/897565027.db2.gz MVBSECRPWAUVKP-QFIPXVFZSA-N 1 0 416.481 4.353 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482146731 897609020 /nfs/dbraw/zinc/60/90/20/897609020.db2.gz BGLCZFCCXOBNTJ-AYBZRNKSSA-N 1 0 401.511 4.196 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000505496371 914181942 /nfs/dbraw/zinc/18/19/42/914181942.db2.gz RTENQLBYVRCSPZ-GOSISDBHSA-N 1 0 405.495 4.269 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000482471358 898046087 /nfs/dbraw/zinc/04/60/87/898046087.db2.gz TXVBYIWZOJKFQB-LJQANCHMSA-N 1 0 421.419 4.254 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000482661628 898265560 /nfs/dbraw/zinc/26/55/60/898265560.db2.gz IXWDANRZSATRRZ-ZDUSSCGKSA-N 1 0 406.483 4.220 20 5 HIBDRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482793293 898400913 /nfs/dbraw/zinc/40/09/13/898400913.db2.gz RIDUBTYREWYOIY-TZIWHRDSSA-N 1 0 408.502 4.422 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482803012 898412675 /nfs/dbraw/zinc/41/26/75/898412675.db2.gz XBVSLLDGSWILFY-UGKGYDQZSA-N 1 0 408.502 4.422 20 5 HIBDRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000482860923 898472190 /nfs/dbraw/zinc/47/21/90/898472190.db2.gz BPEFXTFJGKSPJJ-MRXNPFEDSA-N 1 0 402.564 4.485 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cccc1[N+](=O)[O-] ZINC000482947498 898573169 /nfs/dbraw/zinc/57/31/69/898573169.db2.gz KLWQNIAUYKUVQR-QGZVFWFLSA-N 1 0 419.485 4.471 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)nc2c1 ZINC000483471113 899114513 /nfs/dbraw/zinc/11/45/13/899114513.db2.gz QDOQHTAWLOIYGI-NQIIRXRSSA-N 1 0 406.486 4.223 20 5 HIBDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC[C@@H]2CCOC2)c1 ZINC000484633197 900083205 /nfs/dbraw/zinc/08/32/05/900083205.db2.gz OSXAEZPCEJNYNY-GCJKJVERSA-N 1 0 410.514 4.429 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccsc1 ZINC000484722207 900152121 /nfs/dbraw/zinc/15/21/21/900152121.db2.gz WQDHSKLOXGATEU-MRXNPFEDSA-N 1 0 423.560 4.200 20 5 HIBDRO Cc1sc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000505738747 914416402 /nfs/dbraw/zinc/41/64/02/914416402.db2.gz XTDQDXIDCLODAX-UHFFFAOYSA-N 1 0 416.503 4.032 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000484902405 900281695 /nfs/dbraw/zinc/28/16/95/900281695.db2.gz XUOWBUYIJXIFIR-LJQANCHMSA-N 1 0 411.502 4.026 20 5 HIBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000484916435 900293688 /nfs/dbraw/zinc/29/36/88/900293688.db2.gz DRMSXPODTPMHHO-GOSISDBHSA-N 1 0 415.921 4.209 20 5 HIBDRO CC(C)(C)Oc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000485118853 900423947 /nfs/dbraw/zinc/42/39/47/900423947.db2.gz FSQQYQWTQXSMLZ-UHFFFAOYSA-N 1 0 413.518 4.341 20 5 HIBDRO CSc1cccc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000485503089 900792147 /nfs/dbraw/zinc/79/21/47/900792147.db2.gz IPBVGFIMTXQUQM-UHFFFAOYSA-N 1 0 415.515 4.434 20 5 HIBDRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485745278 901000124 /nfs/dbraw/zinc/00/01/24/901000124.db2.gz PLHICWDYGCDLAY-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO CSc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000486213634 901397164 /nfs/dbraw/zinc/39/71/64/901397164.db2.gz KKYLFEVNJWXSLA-AYHJJNSGSA-N 1 0 411.527 4.242 20 5 HIBDRO CSc1cccc(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000486559761 901705809 /nfs/dbraw/zinc/70/58/09/901705809.db2.gz UIGVEJMFIQKFJM-GOSISDBHSA-N 1 0 401.532 4.203 20 5 HIBDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486694958 901798268 /nfs/dbraw/zinc/79/82/68/901798268.db2.gz PFKFUEFDJAPCBL-UHFFFAOYSA-N 1 0 421.375 4.351 20 5 HIBDRO CSc1cccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000486703925 901803922 /nfs/dbraw/zinc/80/39/22/901803922.db2.gz SQRJDKFPKZAJEY-HNNXBMFYSA-N 1 0 415.515 4.290 20 5 HIBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000487468568 902220628 /nfs/dbraw/zinc/22/06/28/902220628.db2.gz QRZZXVGLIOUCKF-UHFFFAOYSA-N 1 0 418.497 4.073 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487516293 902231438 /nfs/dbraw/zinc/23/14/38/902231438.db2.gz HTXZIRGUGZEBRG-KSSFIOAISA-N 1 0 402.882 4.280 20 5 HIBDRO CC(C)(NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000487523290 902232749 /nfs/dbraw/zinc/23/27/49/902232749.db2.gz FQUJWQQOVOIKDM-QGZVFWFLSA-N 1 0 402.520 4.028 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000488083668 902591089 /nfs/dbraw/zinc/59/10/89/902591089.db2.gz PPQMIPFFOXMWID-GOSISDBHSA-N 1 0 411.527 4.446 20 5 HIBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000488142720 902637517 /nfs/dbraw/zinc/63/75/17/902637517.db2.gz CSZMIMWTHIYNCA-UHFFFAOYSA-N 1 0 408.483 4.455 20 5 HIBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@@H]21 ZINC000488467210 902839628 /nfs/dbraw/zinc/83/96/28/902839628.db2.gz WWQUQOPGZOORRB-UWJYYQICSA-N 1 0 411.527 4.302 20 5 HIBDRO CC(C)(NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000488510237 902863164 /nfs/dbraw/zinc/86/31/64/902863164.db2.gz WQWHEWMPEAIQNL-INIZCTEOSA-N 1 0 416.547 4.103 20 5 HIBDRO C[C@@H]([NH2+][C@@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489039797 903145231 /nfs/dbraw/zinc/14/52/31/903145231.db2.gz SZTIOLFQGAIENA-KUHUBIRLSA-N 1 0 403.454 4.144 20 5 HIBDRO C[C@@H]([NH2+][C@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489039795 903145943 /nfs/dbraw/zinc/14/59/43/903145943.db2.gz SZTIOLFQGAIENA-AUUYWEPGSA-N 1 0 403.454 4.144 20 5 HIBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000489084474 903186279 /nfs/dbraw/zinc/18/62/79/903186279.db2.gz UESWUPNMWBUDKS-SBUREZEXSA-N 1 0 408.502 4.334 20 5 HIBDRO CC[C@@H](NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000489143205 903228694 /nfs/dbraw/zinc/22/86/94/903228694.db2.gz UNJKXMOYYHYHEU-RTBURBONSA-N 1 0 400.479 4.084 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000489319518 903329365 /nfs/dbraw/zinc/32/93/65/903329365.db2.gz GZFOQGHJUSYSFE-BEFAXECRSA-N 1 0 416.547 4.274 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000489319521 903329831 /nfs/dbraw/zinc/32/98/31/903329831.db2.gz GZFOQGHJUSYSFE-KXBFYZLASA-N 1 0 416.547 4.274 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000489673753 903536362 /nfs/dbraw/zinc/53/63/62/903536362.db2.gz BIUILYQWLCTUPH-IBGZPJMESA-N 1 0 424.545 4.074 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489812688 903609059 /nfs/dbraw/zinc/60/90/59/903609059.db2.gz TXQGMDWTFWWKRE-UHFFFAOYSA-N 1 0 422.529 4.455 20 5 HIBDRO CSCC[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000489884982 903651600 /nfs/dbraw/zinc/65/16/00/903651600.db2.gz OKAVSVCQFNJHDT-HIFRSBDPSA-N 1 0 407.561 4.184 20 5 HIBDRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000489967691 903702685 /nfs/dbraw/zinc/70/26/85/903702685.db2.gz VAIHXMWARJUTFW-UHFFFAOYSA-N 1 0 421.856 4.247 20 5 HIBDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490014872 903724795 /nfs/dbraw/zinc/72/47/95/903724795.db2.gz RFARZFZFUUPOGM-GJZGRUSLSA-N 1 0 401.429 4.087 20 5 HIBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490093385 903767179 /nfs/dbraw/zinc/76/71/79/903767179.db2.gz TWUGJKZPVNIJJZ-LJQANCHMSA-N 1 0 405.882 4.205 20 5 HIBDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490188000 903816071 /nfs/dbraw/zinc/81/60/71/903816071.db2.gz PFEFJIASJHFADY-NRFANRHFSA-N 1 0 421.501 4.439 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506099426 914803107 /nfs/dbraw/zinc/80/31/07/914803107.db2.gz QIAXEKQQHDEGLH-FQEVSTJZSA-N 1 0 420.469 4.104 20 5 HIBDRO Cc1ccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491016365 904369714 /nfs/dbraw/zinc/36/97/14/904369714.db2.gz CABBJRBBJVFWFV-QHCPKHFHSA-N 1 0 424.522 4.228 20 5 HIBDRO COc1cc(C[NH2+]CCc2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491020251 904373768 /nfs/dbraw/zinc/37/37/68/904373768.db2.gz MFWNGEIOWJMTCV-UHFFFAOYSA-N 1 0 400.809 4.233 20 5 HIBDRO COc1cc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491132528 904446088 /nfs/dbraw/zinc/44/60/88/904446088.db2.gz IURQEIIMCHAVOX-CYBMUJFWSA-N 1 0 410.417 4.016 20 5 HIBDRO Cn1c(=O)c(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc2ccccc21 ZINC000491469744 904612181 /nfs/dbraw/zinc/61/21/81/904612181.db2.gz DIZYGFKBSNRHGA-UHFFFAOYSA-N 1 0 405.479 4.465 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000493257043 905072042 /nfs/dbraw/zinc/07/20/42/905072042.db2.gz NZAQHEYQBABNGO-SFHVURJKSA-N 1 0 410.518 4.270 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000493307833 905081146 /nfs/dbraw/zinc/08/11/46/905081146.db2.gz BESBVFSBQVSTKU-MOPGFXCFSA-N 1 0 410.518 4.270 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493312354 905085919 /nfs/dbraw/zinc/08/59/19/905085919.db2.gz XMVXBKOGRPLMST-FQEVSTJZSA-N 1 0 424.545 4.314 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345118 905092162 /nfs/dbraw/zinc/09/21/62/905092162.db2.gz VVWXZARUMMHFDQ-OXJNMPFZSA-N 1 0 411.527 4.221 20 5 HIBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506269135 914873825 /nfs/dbraw/zinc/87/38/25/914873825.db2.gz HWMMTTQPMANTMT-UHFFFAOYSA-N 1 0 416.566 4.215 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c([N+](=O)[O-])c2)cc1 ZINC000493637053 905176863 /nfs/dbraw/zinc/17/68/63/905176863.db2.gz URSBYVKULOKETB-UYAOXDASSA-N 1 0 408.502 4.076 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2SCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000493669666 905187584 /nfs/dbraw/zinc/18/75/84/905187584.db2.gz OUGBQLLOPDWIIL-IBGZPJMESA-N 1 0 424.469 4.368 20 5 HIBDRO COc1cc(C[NH2+]C2CCC3(CCOCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493760010 905212490 /nfs/dbraw/zinc/21/24/90/905212490.db2.gz BPQCIQSSOYHZNV-UHFFFAOYSA-N 1 0 414.449 4.076 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000493800305 905221622 /nfs/dbraw/zinc/22/16/22/905221622.db2.gz ZXBDETRTRODXHP-WIYYLYMNSA-N 1 0 415.396 4.190 20 5 HIBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512408117 921140701 /nfs/dbraw/zinc/14/07/01/921140701.db2.gz ASWPSZQLYBTBDG-FQEVSTJZSA-N 1 0 424.545 4.491 20 5 HIBDRO O=C(C1CCC1)N(CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494030461 905372461 /nfs/dbraw/zinc/37/24/61/905372461.db2.gz WIPHUSIBLYMPQM-QHCPKHFHSA-N 1 0 407.514 4.455 20 5 HIBDRO O=C(NCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000494064174 905401650 /nfs/dbraw/zinc/40/16/50/905401650.db2.gz FQQBCTNCCHPECH-QFIPXVFZSA-N 1 0 407.445 4.233 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494717568 905920035 /nfs/dbraw/zinc/92/00/35/905920035.db2.gz DZZHJSPGMXFBAB-AWEZNQCLSA-N 1 0 416.444 4.067 20 5 HIBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000495039081 906194495 /nfs/dbraw/zinc/19/44/95/906194495.db2.gz HNKIWDZRORHGJV-HNNXBMFYSA-N 1 0 416.909 4.027 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000495178182 906288855 /nfs/dbraw/zinc/28/88/55/906288855.db2.gz POZDVHXBVHEHRX-GOSISDBHSA-N 1 0 424.423 4.024 20 5 HIBDRO COc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495178816 906289089 /nfs/dbraw/zinc/28/90/89/906289089.db2.gz VHUDBEXDIPWZEV-LJQANCHMSA-N 1 0 400.475 4.230 20 5 HIBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000512556349 921234103 /nfs/dbraw/zinc/23/41/03/921234103.db2.gz XGXKDBVZPMIQHW-HDICACEKSA-N 1 0 424.545 4.069 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nnn1-c1ccc(F)cc1 ZINC000495433474 906448121 /nfs/dbraw/zinc/44/81/21/906448121.db2.gz ODQBMRNCUDLCGZ-GFCCVEGCSA-N 1 0 403.845 4.170 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000496519633 906700815 /nfs/dbraw/zinc/70/08/15/906700815.db2.gz KZAXOCRCMODKOE-UHFFFAOYSA-N 1 0 421.419 4.270 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498507085 907980334 /nfs/dbraw/zinc/98/03/34/907980334.db2.gz BTIYPLCCJSKDFA-ZWKOTPCHSA-N 1 0 405.564 4.046 20 5 HIBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000498643898 908084106 /nfs/dbraw/zinc/08/41/06/908084106.db2.gz DDJQSIPBVOUHOP-ZDUSSCGKSA-N 1 0 407.923 4.469 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000499184738 908539983 /nfs/dbraw/zinc/53/99/83/908539983.db2.gz UMTCQXSANAACBM-AWEZNQCLSA-N 1 0 420.560 4.115 20 5 HIBDRO CSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000500239875 909729065 /nfs/dbraw/zinc/72/90/65/909729065.db2.gz XKPUZTNCHOTVSW-NSHDSACASA-N 1 0 424.320 4.369 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000500369018 909818768 /nfs/dbraw/zinc/81/87/68/909818768.db2.gz XVBACHSREOIZGE-NSHDSACASA-N 1 0 412.355 4.460 20 5 HIBDRO C[C@H](c1ccccc1Br)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501040456 910254386 /nfs/dbraw/zinc/25/43/86/910254386.db2.gz ZYKADJOVJHMFPT-CYBMUJFWSA-N 1 0 406.280 4.379 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513123081 921566966 /nfs/dbraw/zinc/56/69/66/921566966.db2.gz RMGONDXDPIKGSF-FQEVSTJZSA-N 1 0 420.469 4.104 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513174853 921600538 /nfs/dbraw/zinc/60/05/38/921600538.db2.gz ZZSKBWVMNQVIFA-LJQANCHMSA-N 1 0 410.392 4.114 20 5 HIBDRO CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502918547 911904252 /nfs/dbraw/zinc/90/42/52/911904252.db2.gz JNOSOEWVTMSOIZ-MRXNPFEDSA-N 1 0 423.473 4.274 20 5 HIBDRO CCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502929264 911915212 /nfs/dbraw/zinc/91/52/12/911915212.db2.gz AZOGRLQEYLMWHN-INIZCTEOSA-N 1 0 423.473 4.274 20 5 HIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502970098 911951652 /nfs/dbraw/zinc/95/16/52/911951652.db2.gz HKHCCJVKYQZNAQ-INIZCTEOSA-N 1 0 413.474 4.091 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000502998249 911974428 /nfs/dbraw/zinc/97/44/28/911974428.db2.gz KHANVVLFDOGJIQ-BGYRXZFFSA-N 1 0 416.569 4.019 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506294828 914889507 /nfs/dbraw/zinc/88/95/07/914889507.db2.gz LHRWXYSQLIRCEY-HIFRSBDPSA-N 1 0 420.416 4.153 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1)c1ccccc1 ZINC000506294982 914890292 /nfs/dbraw/zinc/89/02/92/914890292.db2.gz MQCHRWMAGVLSIR-UHFFFAOYSA-N 1 0 405.454 4.249 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(c4nnc5ccccn54)CC3)o2)cc1 ZINC000506733776 915418796 /nfs/dbraw/zinc/41/87/96/915418796.db2.gz GQNYOFFTZDRVJP-UHFFFAOYSA-N 1 0 403.442 4.277 20 5 HIBDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507462627 916230782 /nfs/dbraw/zinc/23/07/82/916230782.db2.gz FIVSGJNDEBXGOG-CABCVRRESA-N 1 0 403.504 4.011 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000507902921 916769568 /nfs/dbraw/zinc/76/95/68/916769568.db2.gz LHJQSGJLYCIOJS-UHFFFAOYSA-N 1 0 408.433 4.230 20 5 HIBDRO CNC(=O)c1cccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000507931113 916805205 /nfs/dbraw/zinc/80/52/05/916805205.db2.gz QHZWZJQDRXMTRC-UHFFFAOYSA-N 1 0 404.470 4.012 20 5 HIBDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)nc1 ZINC000507983822 916828288 /nfs/dbraw/zinc/82/82/88/916828288.db2.gz CUDYOIHPPSOWIA-UHFFFAOYSA-N 1 0 420.469 4.409 20 5 HIBDRO CC[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000509296942 917976726 /nfs/dbraw/zinc/97/67/26/917976726.db2.gz RINGTHIWEIQPTC-QFIPXVFZSA-N 1 0 424.545 4.352 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000509310751 917987523 /nfs/dbraw/zinc/98/75/23/917987523.db2.gz QLMQSFPQJQRKBQ-UHFFFAOYSA-N 1 0 424.545 4.222 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000509368882 918033959 /nfs/dbraw/zinc/03/39/59/918033959.db2.gz AVAIRDNIXPGBET-JOCHJYFZSA-N 1 0 410.518 4.352 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCOC(F)F)cc1 ZINC000509426973 918086463 /nfs/dbraw/zinc/08/64/63/918086463.db2.gz WFQYSGHWUVIUCO-UHFFFAOYSA-N 1 0 402.401 4.166 20 5 HIBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3ccccc3Br)cc2)c1 ZINC000509481242 918126309 /nfs/dbraw/zinc/12/63/09/918126309.db2.gz VUBQIERDPDXQCW-UHFFFAOYSA-N 1 0 401.264 4.011 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000509531305 918179489 /nfs/dbraw/zinc/17/94/89/918179489.db2.gz CKFOBBXLOUTAJN-NRFANRHFSA-N 1 0 408.502 4.192 20 5 HIBDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C1 ZINC000509531594 918179682 /nfs/dbraw/zinc/17/96/82/918179682.db2.gz FGJODDROYIYEEN-QGZVFWFLSA-N 1 0 411.502 4.325 20 5 HIBDRO COc1cc(C[NH2+]CC2(c3cccc(Br)c3)CCC2)c([N+](=O)[O-])cc1O ZINC000509579341 918228769 /nfs/dbraw/zinc/22/87/69/918228769.db2.gz PHUFUMNDMXDLGQ-UHFFFAOYSA-N 1 0 421.291 4.283 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000510819264 919296627 /nfs/dbraw/zinc/29/66/27/919296627.db2.gz BQPZDYHYGMOSRX-UHFFFAOYSA-N 1 0 422.432 4.360 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000510844284 919328786 /nfs/dbraw/zinc/32/87/86/919328786.db2.gz PYCFMQVURVREKI-UHFFFAOYSA-N 1 0 422.432 4.360 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510869534 919361392 /nfs/dbraw/zinc/36/13/92/919361392.db2.gz PORXHKNZKKZWDA-UHFFFAOYSA-N 1 0 422.432 4.358 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000510985577 919538944 /nfs/dbraw/zinc/53/89/44/919538944.db2.gz MSTNMSJPXISNLB-AEFFLSMTSA-N 1 0 414.531 4.362 20 5 HIBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000511445581 920054693 /nfs/dbraw/zinc/05/46/93/920054693.db2.gz OJAXWGXCMWJVOK-UHFFFAOYSA-N 1 0 424.545 4.355 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511550761 920182427 /nfs/dbraw/zinc/18/24/27/920182427.db2.gz AZSBAFLJVWHEFK-IBGZPJMESA-N 1 0 423.391 4.481 20 5 HIBDRO CCc1cc(N2CC[NH+](CCc3cccs3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511734694 920402136 /nfs/dbraw/zinc/40/21/36/920402136.db2.gz OPAZUPWLTIPVGP-UHFFFAOYSA-N 1 0 423.542 4.040 20 5 HIBDRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000511740582 920416531 /nfs/dbraw/zinc/41/65/31/920416531.db2.gz GAYCKVSZMFSHHQ-RBUKOAKNSA-N 1 0 407.495 4.054 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511860064 920584856 /nfs/dbraw/zinc/58/48/56/920584856.db2.gz OXRRRKLWOYGMMT-SQNIBIBYSA-N 1 0 424.419 4.279 20 5 HIBDRO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1nc(-c2ccccc2)no1 ZINC000512202412 920947201 /nfs/dbraw/zinc/94/72/01/920947201.db2.gz KBQNEFLICRNRAH-UHFFFAOYSA-N 1 0 419.441 4.017 20 5 HIBDRO CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000512278182 921032511 /nfs/dbraw/zinc/03/25/11/921032511.db2.gz CSHGKRDIWGSLPA-UHFFFAOYSA-N 1 0 401.486 4.022 20 5 HIBDRO COc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512355161 921099804 /nfs/dbraw/zinc/09/98/04/921099804.db2.gz RWIPODUUEKIAQD-UHFFFAOYSA-N 1 0 422.485 4.285 20 5 HIBDRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513483465 921838502 /nfs/dbraw/zinc/83/85/02/921838502.db2.gz DFSVOMLAAOOBIZ-SFHVURJKSA-N 1 0 423.307 4.008 20 5 HIBDRO CC[NH+](CC)[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513763515 922083144 /nfs/dbraw/zinc/08/31/44/922083144.db2.gz YTJQDMBIKHDSJQ-FCHUYYIVSA-N 1 0 407.518 4.090 20 5 HIBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000514075271 922398269 /nfs/dbraw/zinc/39/82/69/922398269.db2.gz CJVKIBDQQYYMMQ-CALCHBBNSA-N 1 0 410.518 4.391 20 5 HIBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514811757 922810431 /nfs/dbraw/zinc/81/04/31/922810431.db2.gz BGHWOYWXDAHHOL-AZUAARDMSA-N 1 0 414.502 4.071 20 5 HIBDRO COc1ccccc1[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCCC1 ZINC000515502887 923137186 /nfs/dbraw/zinc/13/71/86/923137186.db2.gz QSPOSGIYFKTUPG-OAQYLSRUSA-N 1 0 424.501 4.127 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccc(CNc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@H](C)O1 ZINC000515546474 923168280 /nfs/dbraw/zinc/16/82/80/923168280.db2.gz WQKRYYVNRVBREJ-IRXDYDNUSA-N 1 0 406.486 4.364 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000515747741 923321129 /nfs/dbraw/zinc/32/11/29/923321129.db2.gz KUYWKIWMSAQSEN-QZTJIDSGSA-N 1 0 410.518 4.072 20 5 HIBDRO CC(C)c1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)cc1[N+](=O)[O-] ZINC000517187655 924043846 /nfs/dbraw/zinc/04/38/46/924043846.db2.gz SUPAWLFVGUVYTH-NRFANRHFSA-N 1 0 424.545 4.497 20 5 HIBDRO C[N@H+](Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000518328954 927193080 /nfs/dbraw/zinc/19/30/80/927193080.db2.gz NCNOZZLTQJJGMX-UHFFFAOYSA-N 1 0 414.481 4.011 20 5 HIBDRO 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 929020979 /nfs/dbraw/zinc/02/09/79/929020979.db2.gz QIYDWLOKIIZIAY-ROUUACIJSA-N 1 0 416.566 4.024 20 5 HIBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000521179591 929046681 /nfs/dbraw/zinc/04/66/81/929046681.db2.gz XCQRTWZDEZZZIY-UHFFFAOYSA-N 1 0 420.469 4.477 20 5 HIBDRO C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562395382 945069542 /nfs/dbraw/zinc/06/95/42/945069542.db2.gz YVNCEBBDPGZQAD-YWZLYKJASA-N 1 0 401.894 4.305 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H](C)N1CCOCC1 ZINC000521827505 929482119 /nfs/dbraw/zinc/48/21/19/929482119.db2.gz MQOIQPOGGSHJDL-CVEARBPZSA-N 1 0 419.909 4.239 20 5 HIBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000524829636 929848623 /nfs/dbraw/zinc/84/86/23/929848623.db2.gz VCHVOTKXOPLXAX-UHFFFAOYSA-N 1 0 424.545 4.403 20 5 HIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000524892775 929875980 /nfs/dbraw/zinc/87/59/80/929875980.db2.gz MQYAEHCNPGRRFD-WOJBJXKFSA-N 1 0 404.507 4.411 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000524946891 929908147 /nfs/dbraw/zinc/90/81/47/929908147.db2.gz HKGOOBPWEIXNEN-MHECFPHRSA-N 1 0 421.497 4.234 20 5 HIBDRO C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@@H+]1C ZINC000525195139 930082639 /nfs/dbraw/zinc/08/26/39/930082639.db2.gz XSHOQUNHGZOBKB-OLZOCXBDSA-N 1 0 408.296 4.190 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525271934 930122821 /nfs/dbraw/zinc/12/28/21/930122821.db2.gz VPQIXCVZLCZLPU-MRXNPFEDSA-N 1 0 422.428 4.244 20 5 HIBDRO COc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] ZINC000525405321 930222402 /nfs/dbraw/zinc/22/24/02/930222402.db2.gz CKBBVSKBXDSVQM-UHFFFAOYSA-N 1 0 414.893 4.408 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000525555009 930323367 /nfs/dbraw/zinc/32/33/67/930323367.db2.gz ZXLARKHYQSMNCV-YZVOILCLSA-N 1 0 419.572 4.336 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000525760798 930434286 /nfs/dbraw/zinc/43/42/86/930434286.db2.gz LMKAHFKBRHCUGF-CVEARBPZSA-N 1 0 405.520 4.037 20 5 HIBDRO COc1cc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000530926962 930860550 /nfs/dbraw/zinc/86/05/50/930860550.db2.gz SMIMXTKOQGDBIR-QGZVFWFLSA-N 1 0 422.428 4.077 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000530994148 930879334 /nfs/dbraw/zinc/87/93/34/930879334.db2.gz VPFNTIKZCOZGDK-AUUYWEPGSA-N 1 0 404.898 4.220 20 5 HIBDRO COc1ccccc1C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000531129693 930934308 /nfs/dbraw/zinc/93/43/08/930934308.db2.gz QRAROFCLZJYKAZ-KUHUBIRLSA-N 1 0 419.909 4.441 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000531443259 931058260 /nfs/dbraw/zinc/05/82/60/931058260.db2.gz DCKIZDWUKRXIQE-QWHCGFSZSA-N 1 0 406.280 4.344 20 5 HIBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000531630560 931132721 /nfs/dbraw/zinc/13/27/21/931132721.db2.gz GBAVPXNRPTWVEB-OAHLLOKOSA-N 1 0 403.866 4.141 20 5 HIBDRO CCC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000531703357 931164904 /nfs/dbraw/zinc/16/49/04/931164904.db2.gz ZTAFNUYPVUBBTJ-NRFANRHFSA-N 1 0 419.547 4.054 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000531931432 931250983 /nfs/dbraw/zinc/25/09/83/931250983.db2.gz BWNAFBXDAYYFTC-CVEARBPZSA-N 1 0 405.520 4.037 20 5 HIBDRO C[NH+](C)CCn1ccc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000532172773 931336780 /nfs/dbraw/zinc/33/67/80/931336780.db2.gz NYWDRTOTNWDAHS-UHFFFAOYSA-N 1 0 415.881 4.411 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000532570905 931532543 /nfs/dbraw/zinc/53/25/43/931532543.db2.gz DQENNVNSUJMLLU-WMZHIEFXSA-N 1 0 422.529 4.001 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000532570903 931533770 /nfs/dbraw/zinc/53/37/70/931533770.db2.gz DQENNVNSUJMLLU-CVDCTZTESA-N 1 0 422.529 4.001 20 5 HIBDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893995 931682831 /nfs/dbraw/zinc/68/28/31/931682831.db2.gz ULXJSQPGAUUHIK-KBXCAEBGSA-N 1 0 411.458 4.274 20 5 HIBDRO C[N@H+](CCOc1cccc(Cl)c1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532896959 931683775 /nfs/dbraw/zinc/68/37/75/931683775.db2.gz QPSRGTUUHAHECQ-UHFFFAOYSA-N 1 0 401.850 4.457 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000533027302 931744150 /nfs/dbraw/zinc/74/41/50/931744150.db2.gz HAMQTNZDXWPOMF-UHFFFAOYSA-N 1 0 401.438 4.126 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000533496407 931884447 /nfs/dbraw/zinc/88/44/47/931884447.db2.gz JOJNZZLOKLMTNS-UHFFFAOYSA-N 1 0 419.407 4.405 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513693 931890683 /nfs/dbraw/zinc/89/06/83/931890683.db2.gz OQQJCZHVGFVURT-XCLFUZPHSA-N 1 0 401.438 4.201 20 5 HIBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534242206 932361166 /nfs/dbraw/zinc/36/11/66/932361166.db2.gz IILAWEZDOIDQRY-ACJLOTCBSA-N 1 0 406.845 4.202 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCO1 ZINC000534467862 932488084 /nfs/dbraw/zinc/48/80/84/932488084.db2.gz QGUFUCACQFHXIO-VQTJNVASSA-N 1 0 400.475 4.230 20 5 HIBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534568836 932570942 /nfs/dbraw/zinc/57/09/42/932570942.db2.gz FXUSZYJMOXDHIV-UHFFFAOYSA-N 1 0 424.501 4.050 20 5 HIBDRO Cc1c(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962367 932862402 /nfs/dbraw/zinc/86/24/02/932862402.db2.gz CTYJOCOAZCGKKT-HRAATJIYSA-N 1 0 419.884 4.047 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@@H+]1Cc1ccccc1 ZINC000534995799 932880965 /nfs/dbraw/zinc/88/09/65/932880965.db2.gz DGQOJPKQCKSIJD-FUHWJXTLSA-N 1 0 406.486 4.107 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](Cc2ccnc(OC(C)C)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000535293708 933055803 /nfs/dbraw/zinc/05/58/03/933055803.db2.gz LCDJYFIFFSQWIR-UHFFFAOYSA-N 1 0 412.490 4.079 20 5 HIBDRO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000535367932 933096577 /nfs/dbraw/zinc/09/65/77/933096577.db2.gz GEFXRQPUGMQNHB-UWJYYQICSA-N 1 0 420.513 4.303 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1Cc1ccccc1 ZINC000535397832 933114629 /nfs/dbraw/zinc/11/46/29/933114629.db2.gz PEHXEVHVZMVUOE-XLIONFOSSA-N 1 0 420.513 4.130 20 5 HIBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537375467 933743539 /nfs/dbraw/zinc/74/35/39/933743539.db2.gz SKYQHBUPEMJGMK-ROUUACIJSA-N 1 0 421.419 4.481 20 5 HIBDRO CCOc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537620724 938336306 /nfs/dbraw/zinc/33/63/06/938336306.db2.gz WTSSMAFRZJUNSS-SJORKVTESA-N 1 0 416.522 4.198 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537648641 938345768 /nfs/dbraw/zinc/34/57/68/938345768.db2.gz WXWZCKJSXIHTBF-VQTJNVASSA-N 1 0 412.486 4.041 20 5 HIBDRO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@@H]1O ZINC000537689051 938355257 /nfs/dbraw/zinc/35/52/57/938355257.db2.gz YRTXISKCRATGEC-GCJKJVERSA-N 1 0 406.486 4.040 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537867756 938394638 /nfs/dbraw/zinc/39/46/38/938394638.db2.gz FKTBTCDTSYAZEG-KNQAVFIVSA-N 1 0 414.502 4.476 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000537968266 938438600 /nfs/dbraw/zinc/43/86/00/938438600.db2.gz YKZIZBFDCXFSHD-CZUORRHYSA-N 1 0 403.866 4.103 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000537968267 938438952 /nfs/dbraw/zinc/43/89/52/938438952.db2.gz YKZIZBFDCXFSHD-XJKSGUPXSA-N 1 0 403.866 4.103 20 5 HIBDRO O=C1CCCN1C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000538121691 938509515 /nfs/dbraw/zinc/50/95/15/938509515.db2.gz FPAOPKSBRGBCKR-LJQANCHMSA-N 1 0 421.419 4.109 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000538234501 938567955 /nfs/dbraw/zinc/56/79/55/938567955.db2.gz RCNQRKVKBBEBTF-PBHICJAKSA-N 1 0 422.428 4.462 20 5 HIBDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000538258234 938576551 /nfs/dbraw/zinc/57/65/51/938576551.db2.gz WTVQLUIQIYOREW-OAHLLOKOSA-N 1 0 405.454 4.220 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)COc3ccccc3)o2)c(Cl)c1 ZINC000538311810 938590123 /nfs/dbraw/zinc/59/01/23/938590123.db2.gz OOHHMWKKVHHXDN-HNNXBMFYSA-N 1 0 402.834 4.038 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000538330077 938594520 /nfs/dbraw/zinc/59/45/20/938594520.db2.gz VDFZBFPHUYNRBM-HYXAFXHYSA-N 1 0 406.408 4.280 20 5 HIBDRO CO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000538412865 938614686 /nfs/dbraw/zinc/61/46/86/938614686.db2.gz RAUDYHIZHSURKL-LJQANCHMSA-N 1 0 400.866 4.126 20 5 HIBDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000538425888 938617295 /nfs/dbraw/zinc/61/72/95/938617295.db2.gz IRUMCABTPRRUMV-FNORWQNLSA-N 1 0 403.866 4.197 20 5 HIBDRO COc1cc(CNc2cc(C[NH+](C)C)ccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538608385 938660345 /nfs/dbraw/zinc/66/03/45/938660345.db2.gz PKBSYYLDALCSIJ-UHFFFAOYSA-N 1 0 422.485 4.251 20 5 HIBDRO COc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716847 938689235 /nfs/dbraw/zinc/68/92/35/938689235.db2.gz GENYNJFXKYEMJO-DYESRHJHSA-N 1 0 413.518 4.097 20 5 HIBDRO COc1cc(C[N@H+](C)CCc2nccs2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538724850 938692528 /nfs/dbraw/zinc/69/25/28/938692528.db2.gz FRLMHKSBDWPJQO-UHFFFAOYSA-N 1 0 413.499 4.313 20 5 HIBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538726470 938693514 /nfs/dbraw/zinc/69/35/14/938693514.db2.gz UDJOTCIMDSLKQF-VGOFRKELSA-N 1 0 406.486 4.183 20 5 HIBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538726469 938693600 /nfs/dbraw/zinc/69/36/00/938693600.db2.gz UDJOTCIMDSLKQF-JTSKRJEESA-N 1 0 406.486 4.183 20 5 HIBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000538762644 938704263 /nfs/dbraw/zinc/70/42/63/938704263.db2.gz AHSDNWVFEIVPOV-LJQANCHMSA-N 1 0 400.475 4.041 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000538877182 938729742 /nfs/dbraw/zinc/72/97/42/938729742.db2.gz NXRXZLPRKVUBHV-DYESRHJHSA-N 1 0 418.877 4.468 20 5 HIBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OC(F)F ZINC000539256052 938827706 /nfs/dbraw/zinc/82/77/06/938827706.db2.gz VDLOCEGEORQFDK-SJORKVTESA-N 1 0 405.401 4.042 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000539264910 938829890 /nfs/dbraw/zinc/82/98/90/938829890.db2.gz MJQMYSWODQKAHH-CYBMUJFWSA-N 1 0 411.380 4.134 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2F)C2CCCC2)c([N+](=O)[O-])c1 ZINC000539324601 938841359 /nfs/dbraw/zinc/84/13/59/938841359.db2.gz ANUNYLRAPNAPJI-NRFANRHFSA-N 1 0 401.438 4.202 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000539345906 938845868 /nfs/dbraw/zinc/84/58/68/938845868.db2.gz VXMSMCHUWMNSTD-LBPRGKRZSA-N 1 0 411.380 4.302 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000539829654 938950033 /nfs/dbraw/zinc/95/00/33/938950033.db2.gz SUYGJIHXOLXMQU-IBGZPJMESA-N 1 0 405.502 4.161 20 5 HIBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000539893898 938969679 /nfs/dbraw/zinc/96/96/79/938969679.db2.gz BQWBKJDTWRJWGB-KRWDZBQOSA-N 1 0 417.893 4.341 20 5 HIBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000539893899 938969951 /nfs/dbraw/zinc/96/99/51/938969951.db2.gz BQWBKJDTWRJWGB-QGZVFWFLSA-N 1 0 417.893 4.341 20 5 HIBDRO C[C@H]1C[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000539977567 939028391 /nfs/dbraw/zinc/02/83/91/939028391.db2.gz JFPAKINWJPPMAG-ZWKOTPCHSA-N 1 0 406.486 4.352 20 5 HIBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000539989568 939030909 /nfs/dbraw/zinc/03/09/09/939030909.db2.gz RRLOFGGFXVDXCQ-UHFFFAOYSA-N 1 0 402.882 4.022 20 5 HIBDRO O=C(CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000540173801 939103252 /nfs/dbraw/zinc/10/32/52/939103252.db2.gz HGXIWLCCMCJTTQ-GCJKJVERSA-N 1 0 407.514 4.218 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000540176384 939105567 /nfs/dbraw/zinc/10/55/67/939105567.db2.gz DRHYUBIJUKORCH-INIZCTEOSA-N 1 0 418.538 4.151 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)C1CC1 ZINC000540181440 939108320 /nfs/dbraw/zinc/10/83/20/939108320.db2.gz HNHIRUXUYFLYQS-KRWDZBQOSA-N 1 0 400.429 4.493 20 5 HIBDRO C[C@@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540377745 939218109 /nfs/dbraw/zinc/21/81/09/939218109.db2.gz UMTNUXGQGIWPIG-WZONZLPQSA-N 1 0 406.482 4.413 20 5 HIBDRO C[C@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540377744 939218743 /nfs/dbraw/zinc/21/87/43/939218743.db2.gz UMTNUXGQGIWPIG-MBSDFSHPSA-N 1 0 406.482 4.413 20 5 HIBDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000540405055 939236591 /nfs/dbraw/zinc/23/65/91/939236591.db2.gz UIGVYPFWSNYZGD-CYBMUJFWSA-N 1 0 423.922 4.276 20 5 HIBDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000540459589 939260270 /nfs/dbraw/zinc/26/02/70/939260270.db2.gz NPNCQXAZKKIBIT-UWJYYQICSA-N 1 0 422.481 4.361 20 5 HIBDRO COc1ccc2cc(CN(C)C(=O)C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2c1 ZINC000540479351 939268871 /nfs/dbraw/zinc/26/88/71/939268871.db2.gz BYHCEAUIWMGTPB-KRWDZBQOSA-N 1 0 421.497 4.374 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522133 939286860 /nfs/dbraw/zinc/28/68/60/939286860.db2.gz XCVOLCVDMGMMDI-RBZFPXEDSA-N 1 0 401.438 4.119 20 5 HIBDRO Cc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000540649345 939330567 /nfs/dbraw/zinc/33/05/67/939330567.db2.gz YASVTVFPNUVEQU-UHFFFAOYSA-N 1 0 406.486 4.089 20 5 HIBDRO Cc1ccc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000540734766 939353285 /nfs/dbraw/zinc/35/32/85/939353285.db2.gz UUNWEFFJLDQTLN-SFHVURJKSA-N 1 0 421.419 4.203 20 5 HIBDRO Cc1cc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541172931 939484239 /nfs/dbraw/zinc/48/42/39/939484239.db2.gz KIRGXPLURNEBLA-UHFFFAOYSA-N 1 0 408.433 4.446 20 5 HIBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000541625713 939573801 /nfs/dbraw/zinc/57/38/01/939573801.db2.gz JCUWTADKZKCNKY-RXVVDRJESA-N 1 0 406.482 4.145 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000541718733 939613881 /nfs/dbraw/zinc/61/38/81/939613881.db2.gz NZMNEFDFJAUPLD-PGRDOPGGSA-N 1 0 423.513 4.474 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000541774874 939627495 /nfs/dbraw/zinc/62/74/95/939627495.db2.gz OQVJAEQQBZZNMQ-UHFFFAOYSA-N 1 0 418.335 4.420 20 5 HIBDRO Cc1cc(N2CCN(C(=O)CCCc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542101553 939713445 /nfs/dbraw/zinc/71/34/45/939713445.db2.gz AFNGRPKZCKISTE-UHFFFAOYSA-N 1 0 418.497 4.123 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c(Cl)c1 ZINC000542468783 939828291 /nfs/dbraw/zinc/82/82/91/939828291.db2.gz BHAPQBFYITWHLR-LJQANCHMSA-N 1 0 410.301 4.065 20 5 HIBDRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542560991 939843985 /nfs/dbraw/zinc/84/39/85/939843985.db2.gz ZODSKZFKIOMIRQ-KRWDZBQOSA-N 1 0 413.493 4.386 20 5 HIBDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000542570519 939844958 /nfs/dbraw/zinc/84/49/58/939844958.db2.gz ZNVRBCRPPQAOLT-AWEZNQCLSA-N 1 0 419.884 4.272 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542591351 939847110 /nfs/dbraw/zinc/84/71/10/939847110.db2.gz ZPZWSGMQKCHLRN-PBHICJAKSA-N 1 0 413.499 4.117 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000542594153 939847195 /nfs/dbraw/zinc/84/71/95/939847195.db2.gz KJIUIJRFVXLZAT-GOSISDBHSA-N 1 0 403.548 4.187 20 5 HIBDRO C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542613329 939848575 /nfs/dbraw/zinc/84/85/75/939848575.db2.gz SVGQJGPUHYSRGX-SJORKVTESA-N 1 0 413.493 4.386 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000542843836 939862417 /nfs/dbraw/zinc/86/24/17/939862417.db2.gz IJKXPBLUUNXUBX-SFHVURJKSA-N 1 0 419.428 4.072 20 5 HIBDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000543049236 939909531 /nfs/dbraw/zinc/90/95/31/939909531.db2.gz TXVBNFDUVKULGY-AWEZNQCLSA-N 1 0 424.423 4.079 20 5 HIBDRO CC(C)([C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543411866 940057187 /nfs/dbraw/zinc/05/71/87/940057187.db2.gz PHMTUOBSALENPR-NRFANRHFSA-N 1 0 417.456 4.147 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543642623 940147189 /nfs/dbraw/zinc/14/71/89/940147189.db2.gz XHMXQMVMKMGLPB-KRWDZBQOSA-N 1 0 400.454 4.110 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2)c1 ZINC000543777449 940183325 /nfs/dbraw/zinc/18/33/25/940183325.db2.gz WHAZSGJUWVFDLA-DQEYMECFSA-N 1 0 417.509 4.041 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000563834236 945308224 /nfs/dbraw/zinc/30/82/24/945308224.db2.gz FWQGRAWOFFHREH-KNQAVFIVSA-N 1 0 412.873 4.367 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000543991178 940286085 /nfs/dbraw/zinc/28/60/85/940286085.db2.gz MDDVARQGHPMBLU-MRXNPFEDSA-N 1 0 410.478 4.095 20 5 HIBDRO CC(C)([C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000544355257 940398617 /nfs/dbraw/zinc/39/86/17/940398617.db2.gz BOMRXQDCBHBQND-OAQYLSRUSA-N 1 0 417.456 4.147 20 5 HIBDRO CCc1ccc([C@H](NC2CC[NH+](Cc3ccccn3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544364774 940402596 /nfs/dbraw/zinc/40/25/96/940402596.db2.gz XWWHBFKEKOIOFZ-XMMPIXPASA-N 1 0 420.513 4.489 20 5 HIBDRO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000544417099 940417925 /nfs/dbraw/zinc/41/79/25/940417925.db2.gz OLYUONIAQIABCG-IIBYNOLFSA-N 1 0 410.449 4.208 20 5 HIBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000544621765 940492381 /nfs/dbraw/zinc/49/23/81/940492381.db2.gz KCHITRZOPUIORJ-MAUKXSAKSA-N 1 0 400.454 4.423 20 5 HIBDRO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000545148832 940551246 /nfs/dbraw/zinc/55/12/46/940551246.db2.gz VENFFSDDVIYOBL-QGZVFWFLSA-N 1 0 413.493 4.135 20 5 HIBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)n1 ZINC000546359670 940801489 /nfs/dbraw/zinc/80/14/89/940801489.db2.gz YCFAJLVLSDHGGT-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000546534545 940846539 /nfs/dbraw/zinc/84/65/39/940846539.db2.gz VTBCNTYQUFLBLU-WMZOPIPTSA-N 1 0 413.493 4.181 20 5 HIBDRO CC(C)([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000546578117 940856822 /nfs/dbraw/zinc/85/68/22/940856822.db2.gz GFFIXBJEDRIBJX-UHFFFAOYSA-N 1 0 407.264 4.153 20 5 HIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000546760714 940878145 /nfs/dbraw/zinc/87/81/45/940878145.db2.gz GRYKOEOUYRXPNJ-BDTNDASRSA-N 1 0 416.449 4.342 20 5 HIBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000546932602 940917756 /nfs/dbraw/zinc/91/77/56/940917756.db2.gz TVIPVYOJGMIDQU-CYBMUJFWSA-N 1 0 406.280 4.263 20 5 HIBDRO COc1cc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)ccc1OCC[NH+](C)C ZINC000546983764 940938313 /nfs/dbraw/zinc/93/83/13/940938313.db2.gz WMLLCFSDOGEPAV-UHFFFAOYSA-N 1 0 424.413 4.007 20 5 HIBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)n2)cc1 ZINC000547065259 940981355 /nfs/dbraw/zinc/98/13/55/940981355.db2.gz IXWBLGLIMCMYKZ-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000547099173 940994855 /nfs/dbraw/zinc/99/48/55/940994855.db2.gz VVEZTAAXBAQLNU-CQSZACIVSA-N 1 0 414.487 4.439 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000547106005 940998701 /nfs/dbraw/zinc/99/87/01/940998701.db2.gz OENFEAXDEDMHBN-HOTGVXAUSA-N 1 0 408.458 4.229 20 5 HIBDRO C[NH+](C)Cc1cc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)ccc1F ZINC000547160675 941016050 /nfs/dbraw/zinc/01/60/50/941016050.db2.gz NYLKAHHNVDQAOX-UHFFFAOYSA-N 1 0 408.336 4.114 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547245187 941042155 /nfs/dbraw/zinc/04/21/55/941042155.db2.gz GTYGYDDCYQMRPB-KKSFZXQISA-N 1 0 413.493 4.038 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1)CC1CC1 ZINC000547256174 941045240 /nfs/dbraw/zinc/04/52/40/941045240.db2.gz KDEDYDJZJXMQNC-UHFFFAOYSA-N 1 0 419.541 4.372 20 5 HIBDRO O=C(CC[NH2+]Cc1ccccc1OCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548825353 941125504 /nfs/dbraw/zinc/12/55/04/941125504.db2.gz UFHMIYMUGGGIRS-UHFFFAOYSA-N 1 0 405.454 4.292 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000549298939 941178032 /nfs/dbraw/zinc/17/80/32/941178032.db2.gz DLROCKNTEKQFQS-PKOBYXMFSA-N 1 0 411.502 4.119 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Cc1ccccc1 ZINC000549317391 941179516 /nfs/dbraw/zinc/17/95/16/941179516.db2.gz LLJIVOZOEBUJBD-KRWDZBQOSA-N 1 0 423.435 4.297 20 5 HIBDRO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000549723272 941205690 /nfs/dbraw/zinc/20/56/90/941205690.db2.gz VCWZUHXHQXXZJF-MRXNPFEDSA-N 1 0 421.419 4.180 20 5 HIBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000550698748 941355672 /nfs/dbraw/zinc/35/56/72/941355672.db2.gz BLLBYUGFWSJZJX-UHFFFAOYSA-N 1 0 406.280 4.288 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000551777352 941543766 /nfs/dbraw/zinc/54/37/66/941543766.db2.gz JFBUWAKILIRDAW-GFCCVEGCSA-N 1 0 416.421 4.176 20 5 HIBDRO Cc1c([C@H](C)[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000551777416 941543780 /nfs/dbraw/zinc/54/37/80/941543780.db2.gz JFBUWAKILIRDAW-LBPRGKRZSA-N 1 0 416.421 4.176 20 5 HIBDRO Cc1ccc([C@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000552044448 941572706 /nfs/dbraw/zinc/57/27/06/941572706.db2.gz CCAVTTRSIFQHJA-XZOQPEGZSA-N 1 0 419.529 4.153 20 5 HIBDRO Cc1ccc([C@@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000552044445 941572835 /nfs/dbraw/zinc/57/28/35/941572835.db2.gz CCAVTTRSIFQHJA-DHIUTWEWSA-N 1 0 419.529 4.153 20 5 HIBDRO C[N@H+](CCN1CCCC1=O)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000552242507 941611621 /nfs/dbraw/zinc/61/16/21/941611621.db2.gz RASMDJQCSHUKGG-UHFFFAOYSA-N 1 0 403.866 4.095 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)o2)cc1 ZINC000552258550 941615770 /nfs/dbraw/zinc/61/57/70/941615770.db2.gz OJIZYGSSJWPBOJ-ZWKOTPCHSA-N 1 0 416.384 4.013 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000552319839 941630624 /nfs/dbraw/zinc/63/06/24/941630624.db2.gz QMJQYGZDXFQFBQ-QGZVFWFLSA-N 1 0 420.469 4.076 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)o2)c(Cl)c1 ZINC000553539437 941905139 /nfs/dbraw/zinc/90/51/39/941905139.db2.gz PKOAMRKOMAWUCM-AWEZNQCLSA-N 1 0 406.866 4.326 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000553595638 941917162 /nfs/dbraw/zinc/91/71/62/941917162.db2.gz CHPVTTHYHDAMLX-HNNXBMFYSA-N 1 0 410.499 4.413 20 5 HIBDRO CC[C@H](c1ccccc1OC)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000553991133 942014805 /nfs/dbraw/zinc/01/48/05/942014805.db2.gz MRVRKSCYQXWCJP-GOSISDBHSA-N 1 0 401.463 4.024 20 5 HIBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000554633962 942181000 /nfs/dbraw/zinc/18/10/00/942181000.db2.gz IFOWTKFANQKZEU-QVKFZJNVSA-N 1 0 403.482 4.134 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000555363707 942496164 /nfs/dbraw/zinc/49/61/64/942496164.db2.gz NWSHPRPYVGSDKS-UHFFFAOYSA-N 1 0 409.408 4.385 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000555368109 942498324 /nfs/dbraw/zinc/49/83/24/942498324.db2.gz SAIWUQPYVQOJLO-IBGZPJMESA-N 1 0 414.412 4.261 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)c2ccccc2)c1 ZINC000556218117 942820121 /nfs/dbraw/zinc/82/01/21/942820121.db2.gz QVIBEMKXZMTVCP-XMMPIXPASA-N 1 0 403.482 4.311 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000556850633 942939590 /nfs/dbraw/zinc/93/95/90/942939590.db2.gz QNCDXWZZCVGFSL-HOCLYGCPSA-N 1 0 421.950 4.190 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556857138 942940695 /nfs/dbraw/zinc/94/06/95/942940695.db2.gz AGJVUEBXEFUHFI-QFIPXVFZSA-N 1 0 407.518 4.048 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000556870236 942945829 /nfs/dbraw/zinc/94/58/29/942945829.db2.gz FGEMCOIUPRCRSN-UTKZUKDTSA-N 1 0 407.518 4.137 20 5 HIBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000557039054 943001706 /nfs/dbraw/zinc/00/17/06/943001706.db2.gz UQASVWHTPXQKGL-ACJLOTCBSA-N 1 0 407.392 4.006 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000557263845 943063505 /nfs/dbraw/zinc/06/35/05/943063505.db2.gz ZXXFTUDUYVDYSH-KKSFZXQISA-N 1 0 403.910 4.281 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000557493896 943165746 /nfs/dbraw/zinc/16/57/46/943165746.db2.gz DYCJULIHVYKADZ-MRXNPFEDSA-N 1 0 415.490 4.378 20 5 HIBDRO C[NH+](C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000557654102 943249405 /nfs/dbraw/zinc/24/94/05/943249405.db2.gz VGYOTDOMHXYQLE-CYBMUJFWSA-N 1 0 411.409 4.333 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC4(CCO4)CC3)o2)c(Br)c1 ZINC000558636438 943622263 /nfs/dbraw/zinc/62/22/63/943622263.db2.gz RPYSKJZLIZBLJI-UHFFFAOYSA-N 1 0 407.264 4.372 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000558871605 943711834 /nfs/dbraw/zinc/71/18/34/943711834.db2.gz SKHMHTYVDKDJSW-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559157384 943854920 /nfs/dbraw/zinc/85/49/20/943854920.db2.gz GAKJMDMMVAYUER-CHWSQXEVSA-N 1 0 401.429 4.100 20 5 HIBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000560392695 944229154 /nfs/dbraw/zinc/22/91/54/944229154.db2.gz MBYRUXZTFRBTTH-CMPLNLGQSA-N 1 0 403.237 4.131 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000560921108 944370178 /nfs/dbraw/zinc/37/01/78/944370178.db2.gz WUUBSQVKXYGRRL-AWEZNQCLSA-N 1 0 420.307 4.045 20 5 HIBDRO O=[N+]([O-])c1ccc(Oc2ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc2F)c(Cl)c1 ZINC000561412937 944587300 /nfs/dbraw/zinc/58/73/00/944587300.db2.gz UIIRQZUQUOUGQM-HNNXBMFYSA-N 1 0 408.735 4.192 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000561433024 944595964 /nfs/dbraw/zinc/59/59/64/944595964.db2.gz QSXJIDPMMAFOCD-PXNSSMCTSA-N 1 0 408.502 4.219 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000561447724 944606181 /nfs/dbraw/zinc/60/61/81/944606181.db2.gz JKQJCYVMWXQUTL-UHFFFAOYSA-N 1 0 424.545 4.211 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000562079268 944926791 /nfs/dbraw/zinc/92/67/91/944926791.db2.gz JLUQZEMXNMPKBQ-JOCHJYFZSA-N 1 0 406.486 4.088 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCCSC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564248165 945465622 /nfs/dbraw/zinc/46/56/22/945465622.db2.gz VKNGUQLCPWNRPQ-GOSISDBHSA-N 1 0 402.516 4.415 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000567756714 946401384 /nfs/dbraw/zinc/40/13/84/946401384.db2.gz KBOXEJDSUVUKAD-UHFFFAOYSA-N 1 0 411.502 4.300 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000567762599 946403727 /nfs/dbraw/zinc/40/37/27/946403727.db2.gz SKQBCPDSCJHANQ-MRXNPFEDSA-N 1 0 413.440 4.388 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000567936491 946427871 /nfs/dbraw/zinc/42/78/71/946427871.db2.gz ZUYPBJWWCYJFIE-IBGZPJMESA-N 1 0 424.545 4.353 20 5 HIBDRO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000568684022 946654664 /nfs/dbraw/zinc/65/46/64/946654664.db2.gz GWQIOUJVDDDVNB-IBGZPJMESA-N 1 0 410.518 4.101 20 5 HIBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000568816934 946714398 /nfs/dbraw/zinc/71/43/98/946714398.db2.gz VXDRMQWDDZPJSA-UHFFFAOYSA-N 1 0 410.202 4.209 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000570719223 947333777 /nfs/dbraw/zinc/33/37/77/947333777.db2.gz OGSPOKXIGYDBFB-INIZCTEOSA-N 1 0 422.403 4.143 20 5 HIBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000571063910 947457411 /nfs/dbraw/zinc/45/74/11/947457411.db2.gz VAAKRZJGKJBDKG-QGZVFWFLSA-N 1 0 417.456 4.214 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000571583917 947711949 /nfs/dbraw/zinc/71/19/49/947711949.db2.gz FDJAVBHGQQWICZ-RXVVDRJESA-N 1 0 405.445 4.195 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571587626 947718058 /nfs/dbraw/zinc/71/80/58/947718058.db2.gz WEWVPVOHHUOBBM-SFTDATJTSA-N 1 0 412.486 4.326 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)c2c1 ZINC000572322688 947884404 /nfs/dbraw/zinc/88/44/04/947884404.db2.gz CHTOCPXYLSDUTQ-UHFFFAOYSA-N 1 0 403.442 4.313 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)c2c(c1)COCO2 ZINC000572629035 947962425 /nfs/dbraw/zinc/96/24/25/947962425.db2.gz BRPJWGUGIQHHNT-UHFFFAOYSA-N 1 0 411.433 4.461 20 5 HIBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000573289185 948146425 /nfs/dbraw/zinc/14/64/25/948146425.db2.gz TYHBXJRPVRKHNA-UHFFFAOYSA-N 1 0 411.380 4.196 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000573943212 948329490 /nfs/dbraw/zinc/32/94/90/948329490.db2.gz WRCDUQGSVQBIKG-KRWDZBQOSA-N 1 0 420.469 4.076 20 5 HIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000573983625 948341186 /nfs/dbraw/zinc/34/11/86/948341186.db2.gz ORMILCOMJOWIJR-VWLOTQADSA-N 1 0 401.315 4.184 20 5 HIBDRO CC(C)c1ccc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574046474 948353335 /nfs/dbraw/zinc/35/33/35/948353335.db2.gz KUPRIEBQFJIOCE-DEOSSOPVSA-N 1 0 407.514 4.456 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000575840407 948737848 /nfs/dbraw/zinc/73/78/48/948737848.db2.gz RIAADLYGSRZABZ-RYUDHWBXSA-N 1 0 411.380 4.300 20 5 HIBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164622867 719071265 /nfs/dbraw/zinc/07/12/65/719071265.db2.gz JDTQNUOPAJUXBS-MAUKXSAKSA-N 1 0 422.863 4.289 20 5 HIBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164622869 719071347 /nfs/dbraw/zinc/07/13/47/719071347.db2.gz JDTQNUOPAJUXBS-QAPCUYQASA-N 1 0 422.863 4.289 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1 ZINC001164629060 719096131 /nfs/dbraw/zinc/09/61/31/719096131.db2.gz QPUUKHWHGQFKBL-REWPJTCUSA-N 1 0 415.497 4.153 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435934252 861194734 /nfs/dbraw/zinc/19/47/34/861194734.db2.gz GPQCZOQDWQWMJG-UHFFFAOYSA-N 1 0 413.521 4.453 20 5 HIBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436146265 861444238 /nfs/dbraw/zinc/44/42/38/861444238.db2.gz CCSHSRJPAYSUEL-UHFFFAOYSA-N 1 0 417.484 4.024 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007828891 845423121 /nfs/dbraw/zinc/42/31/21/845423121.db2.gz XFKOOKFXKPLJHI-MRXNPFEDSA-N 1 0 401.532 4.234 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cc(C(F)(F)F)ncc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000436312585 861618302 /nfs/dbraw/zinc/61/83/02/861618302.db2.gz NNSMKEDGOLGCLB-OKILXGFUSA-N 1 0 424.423 4.230 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000025329016 846959742 /nfs/dbraw/zinc/95/97/42/846959742.db2.gz BEBQVCWSNGMNQG-OAQYLSRUSA-N 1 0 424.526 4.301 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000025419573 846975075 /nfs/dbraw/zinc/97/50/75/846975075.db2.gz RPQSJSYOGIJUMO-HSZRJFAPSA-N 1 0 418.497 4.240 20 5 HIBDRO CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000025536035 846995045 /nfs/dbraw/zinc/99/50/45/846995045.db2.gz SZCOIJUGTFLJAX-FQEVSTJZSA-N 1 0 401.894 4.061 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(Br)s1 ZINC000026250988 847112414 /nfs/dbraw/zinc/11/24/14/847112414.db2.gz WHAWDASLHVBGBL-UHFFFAOYSA-N 1 0 412.309 4.188 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000029568075 847580890 /nfs/dbraw/zinc/58/08/90/847580890.db2.gz DMIFRTMSOISSKR-QWHCGFSZSA-N 1 0 406.280 4.344 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029828886 847627111 /nfs/dbraw/zinc/62/71/11/847627111.db2.gz QQNFSJCRSJEBPT-INIZCTEOSA-N 1 0 408.458 4.253 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000041894743 848262524 /nfs/dbraw/zinc/26/25/24/848262524.db2.gz VNCMHKZVIFLCGM-HXUWFJFHSA-N 1 0 403.866 4.326 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000042145872 848293022 /nfs/dbraw/zinc/29/30/22/848293022.db2.gz TWKYONDORCUVJG-RDTXWAMCSA-N 1 0 413.474 4.313 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000042635920 848335873 /nfs/dbraw/zinc/33/58/73/848335873.db2.gz BJYDMGKTEAEHHZ-CVEARBPZSA-N 1 0 415.490 4.378 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000043301760 848406682 /nfs/dbraw/zinc/40/66/82/848406682.db2.gz ZABTUUIMARDGDA-GJZGRUSLSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000043343033 848412214 /nfs/dbraw/zinc/41/22/14/848412214.db2.gz DISTXVPXTQXZEL-SFHVURJKSA-N 1 0 418.881 4.215 20 5 HIBDRO Cc1c(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000043347691 848412555 /nfs/dbraw/zinc/41/25/55/848412555.db2.gz IFSIQNBPBQCJJG-UHFFFAOYSA-N 1 0 402.882 4.343 20 5 HIBDRO Cc1sc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000045941209 848755609 /nfs/dbraw/zinc/75/56/09/848755609.db2.gz CZTJQTCNHUJYPD-UHFFFAOYSA-N 1 0 416.503 4.032 20 5 HIBDRO COc1ccc(C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C2CC2)cc1 ZINC000052867109 849636318 /nfs/dbraw/zinc/63/63/18/849636318.db2.gz JLMVANCUJMJFKS-OAHLLOKOSA-N 1 0 408.458 4.454 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000053157998 849673986 /nfs/dbraw/zinc/67/39/86/849673986.db2.gz UYTSCYZDBGGDCD-GOSISDBHSA-N 1 0 403.866 4.423 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000056157025 850261331 /nfs/dbraw/zinc/26/13/31/850261331.db2.gz OJVOBGQOHNUDLD-LSDHHAIUSA-N 1 0 401.463 4.068 20 5 HIBDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C2CC2)cc1 ZINC000057601190 850677630 /nfs/dbraw/zinc/67/76/30/850677630.db2.gz OFHBUFKSTUFTOG-CQSZACIVSA-N 1 0 417.893 4.496 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000059387278 851003813 /nfs/dbraw/zinc/00/38/13/851003813.db2.gz LBBOIXPMQYDDCO-KRWDZBQOSA-N 1 0 410.392 4.018 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)C1 ZINC000060414219 851092022 /nfs/dbraw/zinc/09/20/22/851092022.db2.gz TWRLYIPAUAXULL-OAHLLOKOSA-N 1 0 401.894 4.410 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437023941 862206453 /nfs/dbraw/zinc/20/64/53/862206453.db2.gz PLXSNZIQKFVCKL-AUUYWEPGSA-N 1 0 421.419 4.254 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437023951 862206801 /nfs/dbraw/zinc/20/68/01/862206801.db2.gz PLXSNZIQKFVCKL-KUHUBIRLSA-N 1 0 421.419 4.254 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437023953 862206923 /nfs/dbraw/zinc/20/69/23/862206923.db2.gz PLXSNZIQKFVCKL-LIRRHRJNSA-N 1 0 421.419 4.254 20 5 HIBDRO Cc1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858593 851232659 /nfs/dbraw/zinc/23/26/59/851232659.db2.gz GCKAXMFBVCBGNA-UHFFFAOYSA-N 1 0 421.476 4.212 20 5 HIBDRO CCC[NH+]1CCC(NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000061016537 851274626 /nfs/dbraw/zinc/27/46/26/851274626.db2.gz IPYUZEYKYSCAPQ-UHFFFAOYSA-N 1 0 413.518 4.146 20 5 HIBDRO CCC[NH+]1CCC(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 ZINC000061031582 851277882 /nfs/dbraw/zinc/27/78/82/851277882.db2.gz UHGJAXLBBHMSFI-UHFFFAOYSA-N 1 0 420.560 4.115 20 5 HIBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503404 851391133 /nfs/dbraw/zinc/39/11/33/851391133.db2.gz AQKQXGXPDALTCU-UHFFFAOYSA-N 1 0 420.513 4.242 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000063522059 851707597 /nfs/dbraw/zinc/70/75/97/851707597.db2.gz KVEKBFXMPGBYDC-UHFFFAOYSA-N 1 0 406.280 4.129 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000063742409 851753247 /nfs/dbraw/zinc/75/32/47/851753247.db2.gz KCVQBKQQCKCYGB-UHFFFAOYSA-N 1 0 424.270 4.265 20 5 HIBDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000064724074 851968895 /nfs/dbraw/zinc/96/88/95/851968895.db2.gz OHCKRDPTJSRZHH-AWEZNQCLSA-N 1 0 405.882 4.496 20 5 HIBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000064738676 851972953 /nfs/dbraw/zinc/97/29/53/851972953.db2.gz OMWWPXNXZIADLN-UHFFFAOYSA-N 1 0 416.566 4.024 20 5 HIBDRO C[NH+](C)CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000064947334 852027568 /nfs/dbraw/zinc/02/75/68/852027568.db2.gz IPEQAZVEVWHRQG-UHFFFAOYSA-N 1 0 402.520 4.055 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000069250491 852388437 /nfs/dbraw/zinc/38/84/37/852388437.db2.gz PJPFTHXJHKIBFB-JOCHJYFZSA-N 1 0 410.518 4.008 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000096956043 852563578 /nfs/dbraw/zinc/56/35/78/852563578.db2.gz WNXLLSHCDGMHNL-VXGBXAGGSA-N 1 0 422.279 4.044 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000097548947 852627431 /nfs/dbraw/zinc/62/74/31/852627431.db2.gz OWQFLVHLMWAYLZ-UHFFFAOYSA-N 1 0 417.531 4.049 20 5 HIBDRO COC(=O)/C=C/c1ccc(Nc2cccc(C[NH+]3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000097551094 852629390 /nfs/dbraw/zinc/62/93/90/852629390.db2.gz BVZXJAVVGGBHJG-SOFGYWHQSA-N 1 0 413.499 4.073 20 5 HIBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000109870971 853025979 /nfs/dbraw/zinc/02/59/79/853025979.db2.gz ZDKHTQWSYGROQC-UHFFFAOYSA-N 1 0 414.465 4.187 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000109890965 853030061 /nfs/dbraw/zinc/03/00/61/853030061.db2.gz AGRTWOVRBCYGPY-UHFFFAOYSA-N 1 0 410.499 4.186 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Br)c(Br)c2)cc1 ZINC000124528396 853371349 /nfs/dbraw/zinc/37/13/49/853371349.db2.gz VXCJDONUIFESMQ-UHFFFAOYSA-N 1 0 400.070 4.410 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CNCCC[NH+]3CCCC3)o2)c(Br)c1 ZINC000236568143 853898854 /nfs/dbraw/zinc/89/88/54/853898854.db2.gz WNESBGXQIYYORY-UHFFFAOYSA-N 1 0 408.296 4.193 20 5 HIBDRO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236653703 853908256 /nfs/dbraw/zinc/90/82/56/853908256.db2.gz KHVSGQOHIVLQOK-UHFFFAOYSA-N 1 0 421.501 4.270 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000236778071 853921157 /nfs/dbraw/zinc/92/11/57/853921157.db2.gz FJKSZDFHLJZNJQ-UHFFFAOYSA-N 1 0 405.292 4.195 20 5 HIBDRO CC(C)C(=O)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236782172 853922404 /nfs/dbraw/zinc/92/24/04/853922404.db2.gz ZIDFGPJFVLFDSN-UHFFFAOYSA-N 1 0 405.882 4.245 20 5 HIBDRO CCN(CC)[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000236902185 853934975 /nfs/dbraw/zinc/93/49/75/853934975.db2.gz IEGGKILYQGTXGH-GOSISDBHSA-N 1 0 400.504 4.484 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237000297 853949144 /nfs/dbraw/zinc/94/91/44/853949144.db2.gz HQDLAIHZDWWFLE-QFBILLFUSA-N 1 0 416.522 4.246 20 5 HIBDRO C[NH+](C)CCn1cc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 ZINC000237007022 853950552 /nfs/dbraw/zinc/95/05/52/853950552.db2.gz FBPSOQXIKRFIQO-UHFFFAOYSA-N 1 0 415.881 4.411 20 5 HIBDRO CCc1cccc2c(CC[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000237010651 853951529 /nfs/dbraw/zinc/95/15/29/853951529.db2.gz WVEOXDSNKOADGM-UHFFFAOYSA-N 1 0 403.486 4.371 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3(N(C)C)CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000237085759 853961968 /nfs/dbraw/zinc/96/19/68/853961968.db2.gz RPIBUSMRHOUAQM-UHFFFAOYSA-N 1 0 415.559 4.255 20 5 HIBDRO COc1cc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000237392090 854021340 /nfs/dbraw/zinc/02/13/40/854021340.db2.gz BMWFFJLGQRIGKR-HXUWFJFHSA-N 1 0 400.475 4.186 20 5 HIBDRO COc1cc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000237392197 854021364 /nfs/dbraw/zinc/02/13/64/854021364.db2.gz BMWFFJLGQRIGKR-FQEVSTJZSA-N 1 0 400.475 4.186 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCCc3nc4ccccc4n3C)o2)c([N+](=O)[O-])c1 ZINC000237415767 854027836 /nfs/dbraw/zinc/02/78/36/854027836.db2.gz AWNOQKLEVWCBPK-UHFFFAOYSA-N 1 0 420.469 4.473 20 5 HIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000237435243 854032749 /nfs/dbraw/zinc/03/27/49/854032749.db2.gz ZPPNLSYXFPSKIF-AWEZNQCLSA-N 1 0 413.499 4.456 20 5 HIBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237478385 854042228 /nfs/dbraw/zinc/04/22/28/854042228.db2.gz GEBUQGGHMRGHAH-MSOLQXFVSA-N 1 0 409.280 4.258 20 5 HIBDRO COc1ccc(C(C)(C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000237480240 854042501 /nfs/dbraw/zinc/04/25/01/854042501.db2.gz ZCUCNGYQECKFQD-UHFFFAOYSA-N 1 0 424.501 4.080 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cs1 ZINC000237707621 854079937 /nfs/dbraw/zinc/07/99/37/854079937.db2.gz BZZJDFJZHQFIRK-LLVKDONJSA-N 1 0 406.817 4.092 20 5 HIBDRO Cc1ccc(-c2nc(CC[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000237748142 854088865 /nfs/dbraw/zinc/08/88/65/854088865.db2.gz SITXGZVGUMXBBT-UHFFFAOYSA-N 1 0 417.469 4.291 20 5 HIBDRO Cc1ccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000237775312 854094838 /nfs/dbraw/zinc/09/48/38/854094838.db2.gz VULHHWXDVQJGGM-FQEVSTJZSA-N 1 0 423.435 4.085 20 5 HIBDRO Cc1ccc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000237777346 854095900 /nfs/dbraw/zinc/09/59/00/854095900.db2.gz ALNXCOUGARSBHG-MRXNPFEDSA-N 1 0 404.308 4.282 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437279820 862530348 /nfs/dbraw/zinc/53/03/48/862530348.db2.gz FOWXSMTUBZGDLL-HUUCEWRRSA-N 1 0 413.440 4.340 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237932721 854121763 /nfs/dbraw/zinc/12/17/63/854121763.db2.gz NAFDQHXMQHHGBA-UHFFFAOYSA-N 1 0 408.355 4.443 20 5 HIBDRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000237960934 854126815 /nfs/dbraw/zinc/12/68/15/854126815.db2.gz QAWDELMHACIFSH-UHFFFAOYSA-N 1 0 415.449 4.355 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCC[N@@H+]3Cc3ccccc3)cs2)c1 ZINC000238007793 854132917 /nfs/dbraw/zinc/13/29/17/854132917.db2.gz LBVDHDRGRXDEOA-OAQYLSRUSA-N 1 0 408.527 4.473 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)C1 ZINC000301113010 854300070 /nfs/dbraw/zinc/30/00/70/854300070.db2.gz SRFGHCISXZQYCK-HZPDHXFCSA-N 1 0 421.501 4.334 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000301389094 854379729 /nfs/dbraw/zinc/37/97/29/854379729.db2.gz ZCADISCKBXRKGJ-QGZVFWFLSA-N 1 0 424.501 4.395 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301679945 854443690 /nfs/dbraw/zinc/44/36/90/854443690.db2.gz SHTIZIVVBXDLIU-AWEZNQCLSA-N 1 0 411.344 4.233 20 5 HIBDRO O=[N+]([O-])c1cc(Br)cnc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000301702357 854447886 /nfs/dbraw/zinc/44/78/86/854447886.db2.gz UEZAKZXLMXSIGI-UHFFFAOYSA-N 1 0 411.325 4.138 20 5 HIBDRO O=C(c1ccccc1)c1ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000301712334 854450729 /nfs/dbraw/zinc/45/07/29/854450729.db2.gz VNDGUQBOBIZPKF-GMAHTHKFSA-N 1 0 423.513 4.006 20 5 HIBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301790961 854465805 /nfs/dbraw/zinc/46/58/05/854465805.db2.gz NWWCKAPVNXGRFZ-ZDUSSCGKSA-N 1 0 405.296 4.390 20 5 HIBDRO Cc1cc(NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302128404 854533873 /nfs/dbraw/zinc/53/38/73/854533873.db2.gz BHQVDXAINDSOEH-SFHVURJKSA-N 1 0 415.833 4.022 20 5 HIBDRO Cc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302134731 854534953 /nfs/dbraw/zinc/53/49/53/854534953.db2.gz HOLCJHDYVAOORX-UHFFFAOYSA-N 1 0 413.481 4.453 20 5 HIBDRO Cc1cc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302195447 854547745 /nfs/dbraw/zinc/54/77/45/854547745.db2.gz SJKDNDUUAQDEID-UHFFFAOYSA-N 1 0 422.460 4.123 20 5 HIBDRO Cc1cc2c(ncnc2N2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000302498735 854576987 /nfs/dbraw/zinc/57/69/87/854576987.db2.gz CDBMLWCSFPUOQN-UHFFFAOYSA-N 1 0 420.498 4.091 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000302615610 854592317 /nfs/dbraw/zinc/59/23/17/854592317.db2.gz YFPINQVQTLKPLY-OAQYLSRUSA-N 1 0 408.454 4.006 20 5 HIBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000302955796 854695684 /nfs/dbraw/zinc/69/56/84/854695684.db2.gz CZOLYYRBFDKVSW-IRXDYDNUSA-N 1 0 411.502 4.011 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303333532 854877884 /nfs/dbraw/zinc/87/78/84/854877884.db2.gz DDHHAJALKLQVOZ-AWEZNQCLSA-N 1 0 418.457 4.462 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3ccccc3)CC3CCOCC3)n2)cc1 ZINC000303432757 854933539 /nfs/dbraw/zinc/93/35/39/854933539.db2.gz CQEBWAIEMIWKEK-UHFFFAOYSA-N 1 0 408.458 4.074 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000303745835 855168337 /nfs/dbraw/zinc/16/83/37/855168337.db2.gz JWMZBERHVRXDDS-UWJYYQICSA-N 1 0 422.529 4.294 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000303747777 855169928 /nfs/dbraw/zinc/16/99/28/855169928.db2.gz KOCBSNDTVZFVPN-XLIONFOSSA-N 1 0 421.501 4.130 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303809746 855213548 /nfs/dbraw/zinc/21/35/48/855213548.db2.gz YQDTWBFSXKQEMJ-NVXWUHKLSA-N 1 0 401.894 4.373 20 5 HIBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311045074 855369159 /nfs/dbraw/zinc/36/91/59/855369159.db2.gz FSKSSNVCJRDVCD-DZGCQCFKSA-N 1 0 405.296 4.075 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394540493 855471040 /nfs/dbraw/zinc/47/10/40/855471040.db2.gz VZEUGWJZHWMLED-UHFFFAOYSA-N 1 0 400.070 4.410 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)Nc1ccccc1[N+](=O)[O-] ZINC000410026820 855785683 /nfs/dbraw/zinc/78/56/83/855785683.db2.gz QQDFEJVVASZZBA-HNNXBMFYSA-N 1 0 414.531 4.138 20 5 HIBDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425955760 856017127 /nfs/dbraw/zinc/01/71/27/856017127.db2.gz AQHOJTMVYGVMHC-UHFFFAOYSA-N 1 0 414.897 4.084 20 5 HIBDRO CCCCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCC ZINC000425965867 856020858 /nfs/dbraw/zinc/02/08/58/856020858.db2.gz JXJBVGUYTNAXCO-UHFFFAOYSA-N 1 0 402.495 4.206 20 5 HIBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426224793 856187809 /nfs/dbraw/zinc/18/78/09/856187809.db2.gz HNTKOMUYOJHFSZ-FQEVSTJZSA-N 1 0 412.490 4.089 20 5 HIBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000426573694 856355548 /nfs/dbraw/zinc/35/55/48/856355548.db2.gz OYKSHEHLCHHVGS-LJQANCHMSA-N 1 0 424.545 4.048 20 5 HIBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426777526 856473457 /nfs/dbraw/zinc/47/34/57/856473457.db2.gz OBCPEXCTLFFQTB-LJQANCHMSA-N 1 0 411.502 4.120 20 5 HIBDRO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437496951 862853242 /nfs/dbraw/zinc/85/32/42/862853242.db2.gz YXFYMEAGBVAICE-IBGZPJMESA-N 1 0 411.477 4.137 20 5 HIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ncc(Br)cc1F ZINC000427894384 856997338 /nfs/dbraw/zinc/99/73/38/856997338.db2.gz QNGIVDVZLNXIHX-SECBINFHSA-N 1 0 402.651 4.438 20 5 HIBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000428074781 857064335 /nfs/dbraw/zinc/06/43/35/857064335.db2.gz IOJKUBMUELKEGY-KRWDZBQOSA-N 1 0 409.280 4.353 20 5 HIBDRO C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1OCCc2sccc21 ZINC000429158645 857534821 /nfs/dbraw/zinc/53/48/21/857534821.db2.gz CRYWEJZCMNHECX-PEBVRCNWSA-N 1 0 400.460 4.059 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000429215593 857558459 /nfs/dbraw/zinc/55/84/59/857558459.db2.gz PZQRHOICADLERY-UHFFFAOYSA-N 1 0 410.301 4.470 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000429437782 857668912 /nfs/dbraw/zinc/66/89/12/857668912.db2.gz OXTRQNUPBNHZRO-DOTOQJQBSA-N 1 0 421.335 4.119 20 5 HIBDRO CCCOc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OCCC ZINC000429488580 857693542 /nfs/dbraw/zinc/69/35/42/857693542.db2.gz JORFGZOMDUSBSI-INIZCTEOSA-N 1 0 422.526 4.120 20 5 HIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429964627 857972426 /nfs/dbraw/zinc/97/24/26/857972426.db2.gz MZVBTUTXAWGBFW-UHFFFAOYSA-N 1 0 406.280 4.451 20 5 HIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000430192373 858075490 /nfs/dbraw/zinc/07/54/90/858075490.db2.gz BRMDOBBCQMWEPO-UHFFFAOYSA-N 1 0 411.502 4.120 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000430204122 858081683 /nfs/dbraw/zinc/08/16/83/858081683.db2.gz GRKZCQXMPQFSOH-UHFFFAOYSA-N 1 0 421.856 4.247 20 5 HIBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC000430883586 858353720 /nfs/dbraw/zinc/35/37/20/858353720.db2.gz RALRUNYDLIVGKJ-QGZVFWFLSA-N 1 0 405.454 4.340 20 5 HIBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)c1ccccc1 ZINC000430882973 858353844 /nfs/dbraw/zinc/35/38/44/858353844.db2.gz NXYWWVIWFTYSCX-SFHVURJKSA-N 1 0 405.454 4.340 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431071759 858434483 /nfs/dbraw/zinc/43/44/83/858434483.db2.gz BUXRNXOULCYAIF-GOEBONIOSA-N 1 0 402.882 4.423 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000431172195 858486403 /nfs/dbraw/zinc/48/64/03/858486403.db2.gz VNYGVAUFIBHWAA-UHFFFAOYSA-N 1 0 420.307 4.129 20 5 HIBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437694292 863031669 /nfs/dbraw/zinc/03/16/69/863031669.db2.gz ANAHYPWWVKOUNL-LJQANCHMSA-N 1 0 414.531 4.167 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2ccnc3c2cccc3[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000432338381 859109205 /nfs/dbraw/zinc/10/92/05/859109205.db2.gz VFWXSDKNZZVHLN-QGZVFWFLSA-N 1 0 406.486 4.455 20 5 HIBDRO C[C@H]1C[N@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000432361997 859121775 /nfs/dbraw/zinc/12/17/75/859121775.db2.gz GPOHXLPYSZJSRK-HNNXBMFYSA-N 1 0 407.898 4.099 20 5 HIBDRO Cc1c(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000432733573 859325189 /nfs/dbraw/zinc/32/51/89/859325189.db2.gz HASLKLUVTNZKOX-UHFFFAOYSA-N 1 0 408.502 4.423 20 5 HIBDRO COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000433023923 859484407 /nfs/dbraw/zinc/48/44/07/859484407.db2.gz UMQNPTDWGJAOLN-UHFFFAOYSA-N 1 0 408.458 4.341 20 5 HIBDRO O=[N+]([O-])c1cc(F)c(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(F)c1 ZINC000433114872 859526540 /nfs/dbraw/zinc/52/65/40/859526540.db2.gz OOMMXCYCNTYOJT-UHFFFAOYSA-N 1 0 401.457 4.361 20 5 HIBDRO COc1cc([C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000433151319 859542871 /nfs/dbraw/zinc/54/28/71/859542871.db2.gz YUDVHQDCRXSVAB-KUHUBIRLSA-N 1 0 400.475 4.048 20 5 HIBDRO CC1(C)C[C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153739 859542921 /nfs/dbraw/zinc/54/29/21/859542921.db2.gz QQDHXLBSFAXJSU-OALUTQOASA-N 1 0 401.532 4.042 20 5 HIBDRO Cc1nc(CN2CCC(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CC2)oc1C ZINC000433176384 859555853 /nfs/dbraw/zinc/55/58/53/859555853.db2.gz OQOTXWSMAWWFAR-OAQYLSRUSA-N 1 0 412.534 4.424 20 5 HIBDRO Cn1cc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433177985 859557061 /nfs/dbraw/zinc/55/70/61/859557061.db2.gz BICJGSDMAZKPHH-SFHVURJKSA-N 1 0 405.502 4.002 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000467700761 881495392 /nfs/dbraw/zinc/49/53/92/881495392.db2.gz NOODGPZGMGPWSC-XJKSGUPXSA-N 1 0 407.392 4.006 20 5 HIBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000434332184 860294115 /nfs/dbraw/zinc/29/41/15/860294115.db2.gz HDZWITHAISHAQZ-FQEVSTJZSA-N 1 0 419.485 4.107 20 5 HIBDRO CC[C@@H]1C[C@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000435777478 861052902 /nfs/dbraw/zinc/05/29/02/861052902.db2.gz CVHLWQNJWXIHKG-NXOUGTEYSA-N 1 0 418.291 4.425 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437913706 863291053 /nfs/dbraw/zinc/29/10/53/863291053.db2.gz HVRNQOWOHZUWQV-QZTJIDSGSA-N 1 0 402.539 4.027 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000437979984 863346604 /nfs/dbraw/zinc/34/66/04/863346604.db2.gz ZNHOEEHGQHGKJY-NQIIRXRSSA-N 1 0 422.529 4.322 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998591 863361206 /nfs/dbraw/zinc/36/12/06/863361206.db2.gz JBSKRVGPGWMUQX-XLIONFOSSA-N 1 0 408.502 4.104 20 5 HIBDRO CC1(C)C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000438338947 863812055 /nfs/dbraw/zinc/81/20/55/863812055.db2.gz BTLMTLNWJFQXLC-OAQYLSRUSA-N 1 0 406.486 4.040 20 5 HIBDRO CC1(C)C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000438338946 863812256 /nfs/dbraw/zinc/81/22/56/863812256.db2.gz BTLMTLNWJFQXLC-NRFANRHFSA-N 1 0 406.486 4.040 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000438554619 863986674 /nfs/dbraw/zinc/98/66/74/863986674.db2.gz AZYSLVDHZURNHL-HDYDNRTBSA-N 1 0 416.566 4.063 20 5 HIBDRO COc1cc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)cc([N+](=O)[O-])c1OC ZINC000438759869 864253700 /nfs/dbraw/zinc/25/37/00/864253700.db2.gz VKDCYONVOSEBQU-UHFFFAOYSA-N 1 0 424.457 4.315 20 5 HIBDRO Cc1ccc(-c2ccc(C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C(C)C)s2)cc1 ZINC000438831102 864326273 /nfs/dbraw/zinc/32/62/73/864326273.db2.gz IVMLGCKKQXDXJO-LJQANCHMSA-N 1 0 414.531 4.100 20 5 HIBDRO CC[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000439137226 864569673 /nfs/dbraw/zinc/56/96/73/864569673.db2.gz RVPNDTYOOVBTPB-GOSISDBHSA-N 1 0 401.894 4.123 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000439299168 864724971 /nfs/dbraw/zinc/72/49/71/864724971.db2.gz PBAHWDDHCMZBLG-UZLBHIALSA-N 1 0 406.523 4.419 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000439898993 865210493 /nfs/dbraw/zinc/21/04/93/865210493.db2.gz JCGFEVGYQBDKGD-QFBILLFUSA-N 1 0 412.490 4.026 20 5 HIBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441062677 866144330 /nfs/dbraw/zinc/14/43/30/866144330.db2.gz NMVJGDFNOPFYNB-SJLPKXTDSA-N 1 0 411.527 4.302 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441065029 866149769 /nfs/dbraw/zinc/14/97/69/866149769.db2.gz NYIVXUDHMQXHLV-GFCCVEGCSA-N 1 0 401.410 4.329 20 5 HIBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000441234099 866310281 /nfs/dbraw/zinc/31/02/81/866310281.db2.gz PWSIGIMMVGPVIG-UFYCRDLUSA-N 1 0 417.893 4.475 20 5 HIBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442761703 867667300 /nfs/dbraw/zinc/66/73/00/867667300.db2.gz COLCXGLEKZXPOP-UHFFFAOYSA-N 1 0 421.419 4.114 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000442964832 867767875 /nfs/dbraw/zinc/76/78/75/867767875.db2.gz JCSMEGHVSAGNGA-UHFFFAOYSA-N 1 0 405.401 4.061 20 5 HIBDRO C[N@H+](CC1(O)CCCC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443867880 868398383 /nfs/dbraw/zinc/39/83/83/868398383.db2.gz KVKDMLCWMZYIKZ-IBGZPJMESA-N 1 0 417.893 4.165 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)Cc3cc(F)c(F)c(F)c3)o2)cc1 ZINC000444002109 868521879 /nfs/dbraw/zinc/52/18/79/868521879.db2.gz JBSRXAAVAIZYRR-AWEZNQCLSA-N 1 0 420.387 4.213 20 5 HIBDRO CC(C)[NH+](CCN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C(C)C ZINC000444301793 868733043 /nfs/dbraw/zinc/73/30/43/868733043.db2.gz GTPJRAMURGXIKQ-UHFFFAOYSA-N 1 0 415.484 4.150 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177245 869260576 /nfs/dbraw/zinc/26/05/76/869260576.db2.gz GNWYDPPYKXSMDX-HKUYNNGSSA-N 1 0 411.505 4.247 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000445645268 869715751 /nfs/dbraw/zinc/71/57/51/869715751.db2.gz OBMDXXZLDJZVAF-IBGZPJMESA-N 1 0 401.532 4.178 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000446483584 870396035 /nfs/dbraw/zinc/39/60/35/870396035.db2.gz DBPBBKIULUDTRH-QGZVFWFLSA-N 1 0 410.396 4.346 20 5 HIBDRO C[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000447031816 870906842 /nfs/dbraw/zinc/90/68/42/870906842.db2.gz UAGQJJYISMMJGQ-ZDUSSCGKSA-N 1 0 401.264 4.394 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1OC(F)F ZINC000447525649 871390277 /nfs/dbraw/zinc/39/02/77/871390277.db2.gz APGQVVRSQSRJNK-HUUCEWRRSA-N 1 0 410.421 4.065 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(c3ccc4c(c3)OCO4)CCOCC1)CCC2 ZINC000447526150 871391015 /nfs/dbraw/zinc/39/10/15/871391015.db2.gz AUDXZQRTHQUELB-FQEVSTJZSA-N 1 0 410.470 4.039 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1OC(F)F ZINC000447525648 871391068 /nfs/dbraw/zinc/39/10/68/871391068.db2.gz APGQVVRSQSRJNK-GJZGRUSLSA-N 1 0 410.421 4.065 20 5 HIBDRO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1OC1CCCC1 ZINC000447531646 871396573 /nfs/dbraw/zinc/39/65/73/871396573.db2.gz SBIUZFCZDHUWNU-OALUTQOASA-N 1 0 414.506 4.395 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)c3c(c1)OCCO3)CCC2 ZINC000447532443 871398097 /nfs/dbraw/zinc/39/80/97/871398097.db2.gz WCFCZJGNBJVKIR-QGZVFWFLSA-N 1 0 419.275 4.296 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)n1 ZINC000447542835 871407308 /nfs/dbraw/zinc/40/73/08/871407308.db2.gz QIKCCWWFIHOVBN-MOPGFXCFSA-N 1 0 411.437 4.391 20 5 HIBDRO C[C@H]([NH2+]C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1)c1ccccc1 ZINC000447545205 871413311 /nfs/dbraw/zinc/41/33/11/871413311.db2.gz WOZFVVXQCHYNSB-MBSDFSHPSA-N 1 0 409.530 4.462 20 5 HIBDRO COc1cccc(Oc2ccc(C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cn2)c1 ZINC000447560385 871451030 /nfs/dbraw/zinc/45/10/30/871451030.db2.gz CPXMOXKFDUVKRN-VQTJNVASSA-N 1 0 423.473 4.261 20 5 HIBDRO COc1cccc(Oc2ccc(C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cn2)c1 ZINC000447560381 871451561 /nfs/dbraw/zinc/45/15/61/871451561.db2.gz CPXMOXKFDUVKRN-PMACEKPBSA-N 1 0 423.473 4.261 20 5 HIBDRO COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447585505 871494585 /nfs/dbraw/zinc/49/45/85/871494585.db2.gz JKVPKFJWJIYBKH-BRWVUGGUSA-N 1 0 404.536 4.302 20 5 HIBDRO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447886228 871800529 /nfs/dbraw/zinc/80/05/29/871800529.db2.gz OTIOKJLAYFPDIZ-BXTJHSDWSA-N 1 0 417.893 4.333 20 5 HIBDRO C[C@@H]1CCCN(c2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc2[N+](=O)[O-])C1 ZINC000447962065 871825613 /nfs/dbraw/zinc/82/56/13/871825613.db2.gz JLQYECPQVDMJGZ-CQSZACIVSA-N 1 0 404.430 4.196 20 5 HIBDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000468594526 882686096 /nfs/dbraw/zinc/68/60/96/882686096.db2.gz GSOBOPFKDCWHED-UHFFFAOYSA-N 1 0 417.512 4.289 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000468636548 882770620 /nfs/dbraw/zinc/77/06/20/882770620.db2.gz CSBCXKOLEXPGLU-DVNIYVAHSA-N 1 0 410.392 4.046 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000468642899 882776886 /nfs/dbraw/zinc/77/68/86/882776886.db2.gz VMVLAYVGINQODY-MDWZMJQESA-N 1 0 418.291 4.297 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000468642898 882777845 /nfs/dbraw/zinc/77/78/45/882777845.db2.gz VMVLAYVGINQODY-JYRVWZFOSA-N 1 0 418.291 4.297 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](CCO)C3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000461409660 874426015 /nfs/dbraw/zinc/42/60/15/874426015.db2.gz DULAMYXRNLQMRV-HXUWFJFHSA-N 1 0 416.543 4.322 20 5 HIBDRO CC(C)c1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461433609 874482750 /nfs/dbraw/zinc/48/27/50/874482750.db2.gz WUXUEEVLAGTEAK-NHCUHLMSSA-N 1 0 407.514 4.312 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462619827 875731654 /nfs/dbraw/zinc/73/16/54/875731654.db2.gz NZEZLNIFTSHMAD-LVCYWYKZSA-N 1 0 415.559 4.424 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000463010902 876026294 /nfs/dbraw/zinc/02/62/94/876026294.db2.gz NHEQFLVDPGVSMQ-JOCHJYFZSA-N 1 0 414.469 4.091 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161220 876215899 /nfs/dbraw/zinc/21/58/99/876215899.db2.gz MXFZTKUMMICTHI-XJKSGUPXSA-N 1 0 407.392 4.179 20 5 HIBDRO CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000463423904 876479245 /nfs/dbraw/zinc/47/92/45/876479245.db2.gz MHGLWHDDAYTGOR-UHFFFAOYSA-N 1 0 421.419 4.180 20 5 HIBDRO COc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[NH+]2CCCC2)cc1 ZINC000463958533 877081390 /nfs/dbraw/zinc/08/13/90/877081390.db2.gz PHDYWHHNJBOEOZ-NRFANRHFSA-N 1 0 412.490 4.179 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[NH+]2CCCC2)cc1 ZINC000463958534 877081486 /nfs/dbraw/zinc/08/14/86/877081486.db2.gz PHDYWHHNJBOEOZ-OAQYLSRUSA-N 1 0 412.490 4.179 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000463964505 877089882 /nfs/dbraw/zinc/08/98/82/877089882.db2.gz OHBJAGPRFLWKPO-BEFAXECRSA-N 1 0 402.520 4.478 20 5 HIBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464609177 877836538 /nfs/dbraw/zinc/83/65/38/877836538.db2.gz OZPPGEDEGCNKLT-DGCLKSJQSA-N 1 0 407.902 4.186 20 5 HIBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Cl)c1 ZINC000464777497 878021412 /nfs/dbraw/zinc/02/14/12/878021412.db2.gz QFPPSTYWYGRSOB-UHFFFAOYSA-N 1 0 403.866 4.120 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000464952096 878290265 /nfs/dbraw/zinc/29/02/65/878290265.db2.gz NDUKMKPYZLQBCM-GOSISDBHSA-N 1 0 406.486 4.060 20 5 HIBDRO CO[C@@H](C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(C)C ZINC000465406921 878841762 /nfs/dbraw/zinc/84/17/62/878841762.db2.gz OJJIORYHFIPJRN-OALUTQOASA-N 1 0 405.882 4.189 20 5 HIBDRO C[C@H]1C[C@@]1([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000503409676 912390421 /nfs/dbraw/zinc/39/04/21/912390421.db2.gz VGTMNJBUKYNOSB-RBZFPXEDSA-N 1 0 401.850 4.071 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1F ZINC000466206661 879896625 /nfs/dbraw/zinc/89/66/25/879896625.db2.gz WUXIRRGZIPNCAX-GFCCVEGCSA-N 1 0 403.385 4.402 20 5 HIBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466627630 880399973 /nfs/dbraw/zinc/39/99/73/880399973.db2.gz MMDRDFNVBUCMFE-AWEZNQCLSA-N 1 0 417.918 4.366 20 5 HIBDRO C[N@H+](C[C@@H]1CCCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140688 880883723 /nfs/dbraw/zinc/88/37/23/880883723.db2.gz ZBEYYJYRWZCJLN-MGPUTAFESA-N 1 0 417.893 4.286 20 5 HIBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000467223851 880952625 /nfs/dbraw/zinc/95/26/25/880952625.db2.gz RQEHPOIIIJJOPN-UHFFFAOYSA-N 1 0 408.930 4.046 20 5 HIBDRO COc1ccc(C[N@H+](C)CC[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467367274 881137739 /nfs/dbraw/zinc/13/77/39/881137739.db2.gz CGIFDWMVNCDBBJ-HXUWFJFHSA-N 1 0 400.475 4.183 20 5 HIBDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000469753060 883915141 /nfs/dbraw/zinc/91/51/41/883915141.db2.gz PEMQQQNBFCRKHW-GFCCVEGCSA-N 1 0 422.279 4.045 20 5 HIBDRO COc1ccc(CNC(=O)C2CC[NH+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000470177720 884459092 /nfs/dbraw/zinc/45/90/92/884459092.db2.gz FALURNPDKBIYDZ-NBVRZTHBSA-N 1 0 423.513 4.035 20 5 HIBDRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000503933607 912870403 /nfs/dbraw/zinc/87/04/03/912870403.db2.gz XFHWGUYKPRIGKG-HKUYNNGSSA-N 1 0 406.486 4.352 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000470603184 885031390 /nfs/dbraw/zinc/03/13/90/885031390.db2.gz WINBVYWYDWPTOH-MRXNPFEDSA-N 1 0 415.799 4.300 20 5 HIBDRO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000470610683 885036419 /nfs/dbraw/zinc/03/64/19/885036419.db2.gz FILCPJXYLHFKAD-WIYYLYMNSA-N 1 0 410.518 4.004 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471291402 885877270 /nfs/dbraw/zinc/87/72/70/885877270.db2.gz HSNKHPAVFNJUSL-GOSISDBHSA-N 1 0 413.543 4.347 20 5 HIBDRO C[C@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000471467815 886156181 /nfs/dbraw/zinc/15/61/81/886156181.db2.gz PHFTVPKFKWUHFV-CQSZACIVSA-N 1 0 409.408 4.254 20 5 HIBDRO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000471547777 886255731 /nfs/dbraw/zinc/25/57/31/886255731.db2.gz OEANJURMXMKRSO-ORAYPTAESA-N 1 0 407.923 4.148 20 5 HIBDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000471946977 886749460 /nfs/dbraw/zinc/74/94/60/886749460.db2.gz PUMYLOTZXURMAV-NVXWUHKLSA-N 1 0 408.380 4.181 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000472516190 887386187 /nfs/dbraw/zinc/38/61/87/887386187.db2.gz LALGLGRLIUIIOA-HOTGVXAUSA-N 1 0 413.543 4.203 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000473281627 888037168 /nfs/dbraw/zinc/03/71/68/888037168.db2.gz HEEQURPLUQKHRT-QVDMIQRCSA-N 1 0 401.894 4.135 20 5 HIBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC000473525581 888261887 /nfs/dbraw/zinc/26/18/87/888261887.db2.gz QNGXZJIGIKLFEP-UHFFFAOYSA-N 1 0 408.458 4.007 20 5 HIBDRO CC(C)c1ccc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473921908 888802300 /nfs/dbraw/zinc/80/23/00/888802300.db2.gz KNFDNYKEAKBNPO-HDICACEKSA-N 1 0 417.550 4.070 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+]C2CCC(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000474025663 888876217 /nfs/dbraw/zinc/87/62/17/888876217.db2.gz ZPUBZRSNXDQKKR-UHFFFAOYSA-N 1 0 416.449 4.102 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000474366183 889244613 /nfs/dbraw/zinc/24/46/13/889244613.db2.gz AJJUUPYQUYTHMR-LBPRGKRZSA-N 1 0 412.364 4.016 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cs2)c1 ZINC000475291196 890195307 /nfs/dbraw/zinc/19/53/07/890195307.db2.gz MCQSOTFINUXVTH-SFHVURJKSA-N 1 0 408.527 4.330 20 5 HIBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000475429686 890350045 /nfs/dbraw/zinc/35/00/45/890350045.db2.gz ODOAAXJOIODKFT-IBGZPJMESA-N 1 0 413.543 4.403 20 5 HIBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000475628184 890566912 /nfs/dbraw/zinc/56/69/12/890566912.db2.gz ZUHWENRATKTREY-YWZLYKJASA-N 1 0 406.866 4.278 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000475701952 890640281 /nfs/dbraw/zinc/64/02/81/890640281.db2.gz NDFOEISROJESPL-LBPRGKRZSA-N 1 0 401.394 4.168 20 5 HIBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476160146 891084869 /nfs/dbraw/zinc/08/48/69/891084869.db2.gz PPAXAQJSJQZUQU-IERDGZPVSA-N 1 0 410.474 4.478 20 5 HIBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476160144 891085315 /nfs/dbraw/zinc/08/53/15/891085315.db2.gz PPAXAQJSJQZUQU-HRAATJIYSA-N 1 0 410.474 4.478 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000477015824 891943731 /nfs/dbraw/zinc/94/37/31/891943731.db2.gz YPCNYNJVMUBHLT-UONOGXRCSA-N 1 0 405.882 4.319 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000504894379 913624762 /nfs/dbraw/zinc/62/47/62/913624762.db2.gz LCJDBLOYEVLBOF-MSOLQXFVSA-N 1 0 405.564 4.236 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000504894420 913625025 /nfs/dbraw/zinc/62/50/25/913625025.db2.gz LPBBPYIDQONBNP-HNNXBMFYSA-N 1 0 400.479 4.374 20 5 HIBDRO CC1(C)COCCN1CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000477234879 892176556 /nfs/dbraw/zinc/17/65/56/892176556.db2.gz OYCYGCLXYBFKQX-UHFFFAOYSA-N 1 0 419.909 4.241 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000477288037 892244648 /nfs/dbraw/zinc/24/46/48/892244648.db2.gz YXWWUOKBXWCHLO-UHFFFAOYSA-N 1 0 401.894 4.473 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000504911653 913645474 /nfs/dbraw/zinc/64/54/74/913645474.db2.gz JMMDWRMQFANABI-ZWKOTPCHSA-N 1 0 401.532 4.275 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000504922121 913658700 /nfs/dbraw/zinc/65/87/00/913658700.db2.gz XUWRFURNUYTRQF-MJGOQNOKSA-N 1 0 419.547 4.030 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000477615078 892708887 /nfs/dbraw/zinc/70/88/87/892708887.db2.gz ZFGHPSFAIYWQRG-UHFFFAOYSA-N 1 0 401.894 4.123 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000477623436 892736242 /nfs/dbraw/zinc/73/62/42/892736242.db2.gz WPEAKQKPXASNLE-AWEZNQCLSA-N 1 0 407.923 4.260 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000477923259 893009593 /nfs/dbraw/zinc/00/95/93/893009593.db2.gz OFUVAIVSMWLBMN-GAJHUEQPSA-N 1 0 412.436 4.403 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000477931592 893021155 /nfs/dbraw/zinc/02/11/55/893021155.db2.gz ZOFBXBPRBNKDSI-XGHQBKJUSA-N 1 0 404.457 4.025 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[NH+](C)C ZINC000504984606 913730550 /nfs/dbraw/zinc/73/05/50/913730550.db2.gz HBVPHICJEMBWLG-SCLBCKFNSA-N 1 0 409.408 4.343 20 5 HIBDRO C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000478616772 893878115 /nfs/dbraw/zinc/87/81/15/893878115.db2.gz BTFLDEPGCJQRSL-QWHCGFSZSA-N 1 0 419.469 4.085 20 5 HIBDRO Cc1c(CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000478787652 894064350 /nfs/dbraw/zinc/06/43/50/894064350.db2.gz ITKTXHUAYMKQGU-UHFFFAOYSA-N 1 0 410.518 4.135 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CCCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000479461587 894783773 /nfs/dbraw/zinc/78/37/73/894783773.db2.gz CSVQNVMOPLRZFF-ZDUSSCGKSA-N 1 0 411.300 4.084 20 5 HIBDRO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000479629946 894896936 /nfs/dbraw/zinc/89/69/36/894896936.db2.gz VYOLIXHNJOCPAS-PXNSSMCTSA-N 1 0 411.502 4.209 20 5 HIBDRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc([N+](=O)[O-])c1C ZINC000479945706 895299513 /nfs/dbraw/zinc/29/95/13/895299513.db2.gz HMGHHSQUGVCMEG-UHFFFAOYSA-N 1 0 415.515 4.021 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480125156 895500255 /nfs/dbraw/zinc/50/02/55/895500255.db2.gz NNOSAXJXHWYUFH-SUMWQHHRSA-N 1 0 420.428 4.228 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](CO)Cc3ccc(F)c(F)c3)o2)c1 ZINC000480439114 895829287 /nfs/dbraw/zinc/82/92/87/895829287.db2.gz CELOMZASGDMVLP-OAHLLOKOSA-N 1 0 402.397 4.074 20 5 HIBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC(F)F ZINC000480547556 895907265 /nfs/dbraw/zinc/90/72/65/895907265.db2.gz DKOHOJLQKWQRFF-UHFFFAOYSA-N 1 0 409.355 4.413 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000480696973 896058522 /nfs/dbraw/zinc/05/85/22/896058522.db2.gz JWQDAEXUIPAZHG-SJORKVTESA-N 1 0 422.572 4.226 20 5 HIBDRO CCOc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481874354 897248214 /nfs/dbraw/zinc/24/82/14/897248214.db2.gz LTBCTRLHGNNWAQ-RTWAWAEBSA-N 1 0 423.513 4.120 20 5 HIBDRO CCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCc2sccc2C1 ZINC000482246820 897728132 /nfs/dbraw/zinc/72/81/32/897728132.db2.gz LFPUXBZVEOOISR-CRAIPNDOSA-N 1 0 401.532 4.369 20 5 HIBDRO CSc1cccc(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000482291036 897786149 /nfs/dbraw/zinc/78/61/49/897786149.db2.gz NWBROOAIMVJNCW-UHFFFAOYSA-N 1 0 413.543 4.479 20 5 HIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000482534670 898120541 /nfs/dbraw/zinc/12/05/41/898120541.db2.gz JUFCDYBTENLLPE-DLBZAZTESA-N 1 0 400.498 4.206 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2ccccc2[N+](=O)[O-])c1 ZINC000482667664 898269660 /nfs/dbraw/zinc/26/96/60/898269660.db2.gz WOVYDNLUXTUQNZ-OAHLLOKOSA-N 1 0 400.454 4.159 20 5 HIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 ZINC000482691018 898290313 /nfs/dbraw/zinc/29/03/13/898290313.db2.gz KGXZSKAMJYVIFK-UHFFFAOYSA-N 1 0 403.504 4.419 20 5 HIBDRO Cc1c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482770132 898377128 /nfs/dbraw/zinc/37/71/28/898377128.db2.gz MTLBVJFTQOIOOH-UGKGYDQZSA-N 1 0 408.502 4.422 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482803009 898413326 /nfs/dbraw/zinc/41/33/26/898413326.db2.gz XBVSLLDGSWILFY-DENIHFKCSA-N 1 0 408.502 4.422 20 5 HIBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)C1 ZINC000505573788 914281223 /nfs/dbraw/zinc/28/12/23/914281223.db2.gz DSUNMYPQGQDJOV-QFIPXVFZSA-N 1 0 411.527 4.304 20 5 HIBDRO COc1c(C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000483510912 899173228 /nfs/dbraw/zinc/17/32/28/899173228.db2.gz BCRFZJDZLHQBRZ-UHFFFAOYSA-N 1 0 415.515 4.066 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483586353 899237866 /nfs/dbraw/zinc/23/78/66/899237866.db2.gz WDQVXCCALVLSQG-UTKZUKDTSA-N 1 0 413.905 4.375 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1SC ZINC000484421412 899936988 /nfs/dbraw/zinc/93/69/88/899936988.db2.gz IYOVEKKCZFKKEC-UHFFFAOYSA-N 1 0 409.552 4.100 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000484858290 900250284 /nfs/dbraw/zinc/25/02/84/900250284.db2.gz DIQCBAKPWQHZLG-ZDUSSCGKSA-N 1 0 411.380 4.481 20 5 HIBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000485125994 900430234 /nfs/dbraw/zinc/43/02/34/900430234.db2.gz ZGOUUVXYOXDVLR-UHFFFAOYSA-N 1 0 408.458 4.007 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485404607 900704275 /nfs/dbraw/zinc/70/42/75/900704275.db2.gz FXASMALNWMRERI-UHFFFAOYSA-N 1 0 422.529 4.181 20 5 HIBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(C)(C)C ZINC000485499693 900789669 /nfs/dbraw/zinc/78/96/69/900789669.db2.gz IWZZPEGPJGGONH-OAQYLSRUSA-N 1 0 413.518 4.270 20 5 HIBDRO Cn1cc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485729325 900982294 /nfs/dbraw/zinc/98/22/94/900982294.db2.gz OXOGXYNEBAOSNV-GOSISDBHSA-N 1 0 404.392 4.431 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1cccc(OC)c1 ZINC000485757353 901014169 /nfs/dbraw/zinc/01/41/69/901014169.db2.gz MOWHWRNBLPDTIO-SFHVURJKSA-N 1 0 417.531 4.138 20 5 HIBDRO CSc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000486234780 901417412 /nfs/dbraw/zinc/41/74/12/901417412.db2.gz WGIFMDVPUXAHJL-UHFFFAOYSA-N 1 0 409.895 4.163 20 5 HIBDRO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000486361100 901530334 /nfs/dbraw/zinc/53/03/34/901530334.db2.gz PJHZUVMMPPSKGO-MSOLQXFVSA-N 1 0 411.502 4.167 20 5 HIBDRO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487185569 902091517 /nfs/dbraw/zinc/09/15/17/902091517.db2.gz MGFGXHMEEWMVJP-UGKGYDQZSA-N 1 0 424.545 4.127 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[NH+](C)C ZINC000487426434 902204784 /nfs/dbraw/zinc/20/47/84/902204784.db2.gz HGBAFSVILWDBDB-JTSKRJEESA-N 1 0 418.497 4.386 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487741080 902334289 /nfs/dbraw/zinc/33/42/89/902334289.db2.gz HDINSUWFDDBZJF-UHFFFAOYSA-N 1 0 405.401 4.087 20 5 HIBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000489307405 903322403 /nfs/dbraw/zinc/32/24/03/903322403.db2.gz UHAVTBNOYLKJEN-UHFFFAOYSA-N 1 0 403.866 4.365 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000489599308 903488003 /nfs/dbraw/zinc/48/80/03/903488003.db2.gz UAKIJUMBZZKFNG-UHFFFAOYSA-N 1 0 405.564 4.433 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)c2ccccc2)c1 ZINC000490164524 903805419 /nfs/dbraw/zinc/80/54/19/903805419.db2.gz OGQKSJXEFJMMKK-QHCPKHFHSA-N 1 0 424.522 4.279 20 5 HIBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000491091402 904422914 /nfs/dbraw/zinc/42/29/14/904422914.db2.gz JFZHCIBXQKQSGX-LJQANCHMSA-N 1 0 410.518 4.011 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491360569 904558758 /nfs/dbraw/zinc/55/87/58/904558758.db2.gz XUNXVFMTRKZWDG-UHFFFAOYSA-N 1 0 400.523 4.066 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)ccc1[N+](=O)[O-] ZINC000492913662 904951433 /nfs/dbraw/zinc/95/14/33/904951433.db2.gz UYUIARNGEMVCKX-LBPRGKRZSA-N 1 0 401.410 4.458 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938068 904956380 /nfs/dbraw/zinc/95/63/80/904956380.db2.gz SSXOTELQVFNWLN-NQIIRXRSSA-N 1 0 410.518 4.270 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2SCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000493669668 905187264 /nfs/dbraw/zinc/18/72/64/905187264.db2.gz OUGBQLLOPDWIIL-LJQANCHMSA-N 1 0 424.469 4.368 20 5 HIBDRO Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494469813 905750709 /nfs/dbraw/zinc/75/07/09/905750709.db2.gz UWLQZLDWNGHHKO-LJQANCHMSA-N 1 0 419.407 4.435 20 5 HIBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000494552579 905831286 /nfs/dbraw/zinc/83/12/86/905831286.db2.gz JTJDKQMJVKRODU-KRWDZBQOSA-N 1 0 416.909 4.027 20 5 HIBDRO CC[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CCC(F)(F)F ZINC000494621091 905867562 /nfs/dbraw/zinc/86/75/62/905867562.db2.gz PYJNQUBGFWJNET-UHFFFAOYSA-N 1 0 416.322 4.009 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccccc2Cl)c([N+](=O)[O-])cc1OCC(F)F ZINC000494714779 905916473 /nfs/dbraw/zinc/91/64/73/905916473.db2.gz KKWMESSIAPVHPD-UHFFFAOYSA-N 1 0 400.809 4.233 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494717570 905920600 /nfs/dbraw/zinc/92/06/00/905920600.db2.gz DZZHJSPGMXFBAB-CQSZACIVSA-N 1 0 416.444 4.067 20 5 HIBDRO C[NH+](C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000494997969 906159099 /nfs/dbraw/zinc/15/90/99/906159099.db2.gz URNGRZBHXQOTRI-UHFFFAOYSA-N 1 0 410.518 4.011 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000495023404 906183444 /nfs/dbraw/zinc/18/34/44/906183444.db2.gz GVAVBYZQMFIUKD-NQIIRXRSSA-N 1 0 422.529 4.322 20 5 HIBDRO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000495063041 906215503 /nfs/dbraw/zinc/21/55/03/906215503.db2.gz WFPQRTDUFNEIHE-GOSISDBHSA-N 1 0 411.502 4.026 20 5 HIBDRO C[NH+](C)CC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000495916948 906577103 /nfs/dbraw/zinc/57/71/03/906577103.db2.gz CCKBIGHMBXGWJT-UHFFFAOYSA-N 1 0 410.518 4.057 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000496228169 906634402 /nfs/dbraw/zinc/63/44/02/906634402.db2.gz XINDGWYIMAUMNL-HXUWFJFHSA-N 1 0 424.545 4.414 20 5 HIBDRO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000512646552 921273422 /nfs/dbraw/zinc/27/34/22/921273422.db2.gz BCGRYLYQIQLNBQ-YSFPZDHXSA-N 1 0 410.518 4.011 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000512700267 921292243 /nfs/dbraw/zinc/29/22/43/921292243.db2.gz YLBNFPIEQUCGGU-HXUWFJFHSA-N 1 0 403.454 4.448 20 5 HIBDRO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000497957461 907427435 /nfs/dbraw/zinc/42/74/35/907427435.db2.gz JKXGTPDVKXRPBO-FXAWDEMLSA-N 1 0 413.543 4.371 20 5 HIBDRO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149010 907672689 /nfs/dbraw/zinc/67/26/89/907672689.db2.gz AXPZDNAKTZFXGH-OAQYLSRUSA-N 1 0 406.467 4.043 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498176042 907707347 /nfs/dbraw/zinc/70/73/47/907707347.db2.gz IVZDPCFWRSPEAH-UHFFFAOYSA-N 1 0 422.510 4.253 20 5 HIBDRO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498689342 908116854 /nfs/dbraw/zinc/11/68/54/908116854.db2.gz LLYHSNBYKUXYHZ-GHTZIAJQSA-N 1 0 422.529 4.179 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498690024 908119376 /nfs/dbraw/zinc/11/93/76/908119376.db2.gz PQLFVEAPHCGJOS-SIKLNZKXSA-N 1 0 424.545 4.425 20 5 HIBDRO CC[N@H+](C)CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000498755997 908178786 /nfs/dbraw/zinc/17/87/86/908178786.db2.gz UEOOWVYCUFXGDV-UHFFFAOYSA-N 1 0 416.528 4.037 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513061113 921516868 /nfs/dbraw/zinc/51/68/68/921516868.db2.gz HGLCEIPZYRAUCT-QWHCGFSZSA-N 1 0 406.280 4.425 20 5 HIBDRO COCCn1cc(C[NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cn1 ZINC000500376484 909824027 /nfs/dbraw/zinc/82/40/27/909824027.db2.gz KXSIDBRSCJKGCI-UHFFFAOYSA-N 1 0 412.515 4.187 20 5 HIBDRO COc1ccc(C[NH+]2CCC(C)(OC)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000500709810 910034955 /nfs/dbraw/zinc/03/49/55/910034955.db2.gz KRVWIVNDJJAHQH-UHFFFAOYSA-N 1 0 400.475 4.183 20 5 HIBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000501234698 910392790 /nfs/dbraw/zinc/39/27/90/910392790.db2.gz BTYHWQBCZZHDLH-UHFFFAOYSA-N 1 0 416.547 4.302 20 5 HIBDRO COc1cc(C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccc1[N+](=O)[O-] ZINC000513173193 921599175 /nfs/dbraw/zinc/59/91/75/921599175.db2.gz JGADXSWLDDLFEV-LJQANCHMSA-N 1 0 410.392 4.114 20 5 HIBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000501614373 910715828 /nfs/dbraw/zinc/71/58/28/910715828.db2.gz IVBPDJGRSGEWCM-UHFFFAOYSA-N 1 0 419.547 4.020 20 5 HIBDRO COC1(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 ZINC000502597151 911600981 /nfs/dbraw/zinc/60/09/81/911600981.db2.gz RBSRYAJIIDLLJL-GOSISDBHSA-N 1 0 403.866 4.087 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)c1ccc(F)cc1 ZINC000506483476 915087667 /nfs/dbraw/zinc/08/76/67/915087667.db2.gz WWRVDCDWUNYRFD-UHFFFAOYSA-N 1 0 423.444 4.388 20 5 HIBDRO COc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506562352 915210654 /nfs/dbraw/zinc/21/06/54/915210654.db2.gz PAKZSCUPNWTRJJ-LJQANCHMSA-N 1 0 412.486 4.183 20 5 HIBDRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506706608 915382520 /nfs/dbraw/zinc/38/25/20/915382520.db2.gz LKXILWRWQFEOCH-UHFFFAOYSA-N 1 0 419.481 4.383 20 5 HIBDRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506744211 915434370 /nfs/dbraw/zinc/43/43/70/915434370.db2.gz PRXUCDQZIHUPJY-UHFFFAOYSA-N 1 0 419.481 4.383 20 5 HIBDRO CCOc1cc(C[N@H+](C)C2CC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507113114 915875613 /nfs/dbraw/zinc/87/56/13/915875613.db2.gz ZSTBBHZAILMYEB-UHFFFAOYSA-N 1 0 414.458 4.033 20 5 HIBDRO Cc1ccc(OC2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000508013218 916852021 /nfs/dbraw/zinc/85/20/21/916852021.db2.gz GZXPGWIUUVKFFI-UHFFFAOYSA-N 1 0 406.486 4.347 20 5 HIBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508582822 917353560 /nfs/dbraw/zinc/35/35/60/917353560.db2.gz NYXCZPRVBLKCRE-DZGCQCFKSA-N 1 0 403.866 4.126 20 5 HIBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000508648620 917414689 /nfs/dbraw/zinc/41/46/89/917414689.db2.gz DUHSOYDRRWTGNS-DZGCQCFKSA-N 1 0 403.866 4.126 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)s1 ZINC000508725481 917488441 /nfs/dbraw/zinc/48/84/41/917488441.db2.gz ZZIABYNRXRLBKT-UHFFFAOYSA-N 1 0 405.483 4.253 20 5 HIBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509182209 917891546 /nfs/dbraw/zinc/89/15/46/917891546.db2.gz ZAGZWBNBVBSCSA-HXUWFJFHSA-N 1 0 411.502 4.120 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000509598580 918248059 /nfs/dbraw/zinc/24/80/59/918248059.db2.gz GKEAPYPMOAGJOI-UHFFFAOYSA-N 1 0 420.391 4.488 20 5 HIBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000509598761 918248750 /nfs/dbraw/zinc/24/87/50/918248750.db2.gz GOLHYZAWCHBLDG-CQSZACIVSA-N 1 0 403.866 4.141 20 5 HIBDRO COc1cc(C[NH2+]CCN2CCCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509617697 918266572 /nfs/dbraw/zinc/26/65/72/918266572.db2.gz KCDLGMGNBHNXCI-GOSISDBHSA-N 1 0 413.518 4.146 20 5 HIBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000510003586 918586239 /nfs/dbraw/zinc/58/62/39/918586239.db2.gz CXGAVCMKQDLAHP-GOSISDBHSA-N 1 0 406.442 4.251 20 5 HIBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000510027359 918603415 /nfs/dbraw/zinc/60/34/15/918603415.db2.gz FCLQZDFANWYHEK-UHFFFAOYSA-N 1 0 410.474 4.479 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000510543400 918988195 /nfs/dbraw/zinc/98/81/95/918988195.db2.gz AUGJADCNOKGMQC-ACJLOTCBSA-N 1 0 409.408 4.343 20 5 HIBDRO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000510554086 918997999 /nfs/dbraw/zinc/99/79/99/918997999.db2.gz PPWIHLFKAYQJKT-IBGZPJMESA-N 1 0 424.545 4.048 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+](C)C ZINC000510556073 919000546 /nfs/dbraw/zinc/00/05/46/919000546.db2.gz XFNMAERMIDIRKL-MZNJEOGPSA-N 1 0 413.521 4.411 20 5 HIBDRO C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510923342 919440076 /nfs/dbraw/zinc/44/00/76/919440076.db2.gz RRVRFQXHGLEOQD-HOCLYGCPSA-N 1 0 414.531 4.101 20 5 HIBDRO Cc1c(Br)cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000510927843 919447564 /nfs/dbraw/zinc/44/75/64/919447564.db2.gz ILQHWECZKNGYRR-KGLIPLIRSA-N 1 0 424.339 4.049 20 5 HIBDRO COc1cc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000512184813 920928430 /nfs/dbraw/zinc/92/84/30/920928430.db2.gz NDJTUEUTFHCBHW-CALCHBBNSA-N 1 0 411.502 4.011 20 5 HIBDRO COCC1CC[NH+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000513446032 921812433 /nfs/dbraw/zinc/81/24/33/921812433.db2.gz BNXWDRJLTULBGJ-UHFFFAOYSA-N 1 0 400.475 4.041 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000513787049 922112847 /nfs/dbraw/zinc/11/28/47/922112847.db2.gz SGGGIJNUYNBSGI-BEFAXECRSA-N 1 0 422.934 4.023 20 5 HIBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000513794853 922122092 /nfs/dbraw/zinc/12/20/92/922122092.db2.gz XRVNJQYDZRISEC-UHFFFAOYSA-N 1 0 409.408 4.385 20 5 HIBDRO COc1cc(C[N@H+](CCc2nccs2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000513976770 922297570 /nfs/dbraw/zinc/29/75/70/922297570.db2.gz DESIHDYZWCNJKP-UHFFFAOYSA-N 1 0 401.435 4.114 20 5 HIBDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000514090255 922412552 /nfs/dbraw/zinc/41/25/52/922412552.db2.gz UDQGVYVROXSLRL-ZDUSSCGKSA-N 1 0 408.296 4.143 20 5 HIBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1 ZINC000514625430 922729878 /nfs/dbraw/zinc/72/98/78/922729878.db2.gz DUPOGBGCDPGUFX-LJQANCHMSA-N 1 0 405.882 4.068 20 5 HIBDRO O=C(c1cc(NCc2ccccc2C[NH+]2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000515607607 923212260 /nfs/dbraw/zinc/21/22/60/923212260.db2.gz ZOVGEUTVKVHVGG-UHFFFAOYSA-N 1 0 422.529 4.429 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000516795860 923889986 /nfs/dbraw/zinc/88/99/86/923889986.db2.gz MFJGFRIEQKZEAQ-JOCHJYFZSA-N 1 0 407.518 4.049 20 5 HIBDRO COc1ccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1OC ZINC000518502217 927313640 /nfs/dbraw/zinc/31/36/40/927313640.db2.gz XHMOLDTZOPPHMY-KRWDZBQOSA-N 1 0 404.894 4.419 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccnc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000518770916 927484551 /nfs/dbraw/zinc/48/45/51/927484551.db2.gz HAXPEIYQOGPRGB-UHFFFAOYSA-N 1 0 414.469 4.233 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518783634 927490259 /nfs/dbraw/zinc/49/02/59/927490259.db2.gz QGEVQVWDMGPPHX-OXJNMPFZSA-N 1 0 400.475 4.230 20 5 HIBDRO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000518961941 927659205 /nfs/dbraw/zinc/65/92/05/927659205.db2.gz OGZVNYDEQBSQKW-LJQANCHMSA-N 1 0 415.877 4.207 20 5 HIBDRO CCN1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000519753837 928066365 /nfs/dbraw/zinc/06/63/65/928066365.db2.gz JLHSEEJOVPROIX-CJNGLKHVSA-N 1 0 423.420 4.264 20 5 HIBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000519777092 928070978 /nfs/dbraw/zinc/07/09/78/928070978.db2.gz RHRCRGLTWGAQII-CYBMUJFWSA-N 1 0 401.429 4.244 20 5 HIBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C2CCCCC2)cc1 ZINC000519803565 928082364 /nfs/dbraw/zinc/08/23/64/928082364.db2.gz SGIBIXFFSJFUOB-VXKWHMMOSA-N 1 0 400.523 4.187 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000520221735 928397225 /nfs/dbraw/zinc/39/72/25/928397225.db2.gz UUSSDSMIARGJJK-MRXNPFEDSA-N 1 0 408.424 4.089 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520638200 928693306 /nfs/dbraw/zinc/69/33/06/928693306.db2.gz BVBKHWXUFOPIJT-UHFFFAOYSA-N 1 0 419.485 4.061 20 5 HIBDRO C[C@@H]1CN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000520955837 928888276 /nfs/dbraw/zinc/88/82/76/928888276.db2.gz YAUOYYHPDVQGCJ-IAGOWNOFSA-N 1 0 417.481 4.115 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000520963658 928891792 /nfs/dbraw/zinc/89/17/92/928891792.db2.gz WNTOQEXXENOTDI-HSZRJFAPSA-N 1 0 420.513 4.478 20 5 HIBDRO O=C(CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1Cc2ccccc2C1 ZINC000521172544 929043175 /nfs/dbraw/zinc/04/31/75/929043175.db2.gz WZTCUKXZHCCBTN-UHFFFAOYSA-N 1 0 405.454 4.267 20 5 HIBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521583459 929311855 /nfs/dbraw/zinc/31/18/55/929311855.db2.gz CWSXSDUWLWSEOU-UHFFFAOYSA-N 1 0 419.485 4.409 20 5 HIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000521686432 929367316 /nfs/dbraw/zinc/36/73/16/929367316.db2.gz XNGFXLQZFPLCQY-FQEVSTJZSA-N 1 0 407.474 4.254 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)CN2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521820363 929477639 /nfs/dbraw/zinc/47/76/39/929477639.db2.gz NNPCRCPAHPMTJW-SFHVURJKSA-N 1 0 413.518 4.146 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524653284 929765197 /nfs/dbraw/zinc/76/51/97/929765197.db2.gz SGBJYTIRPWHCDU-BBRMVZONSA-N 1 0 403.866 4.253 20 5 HIBDRO C[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@@H+]1C ZINC000525195138 930083074 /nfs/dbraw/zinc/08/30/74/930083074.db2.gz XSHOQUNHGZOBKB-CHWSQXEVSA-N 1 0 408.296 4.190 20 5 HIBDRO CNC(=O)c1cccc(CC[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000525400706 930219964 /nfs/dbraw/zinc/21/99/64/930219964.db2.gz SCHONGBHNXWVBR-UHFFFAOYSA-N 1 0 418.497 4.055 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000525555006 930322971 /nfs/dbraw/zinc/32/29/71/930322971.db2.gz ZXLARKHYQSMNCV-DOXZYTNZSA-N 1 0 419.572 4.336 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000525776968 930440492 /nfs/dbraw/zinc/44/04/92/930440492.db2.gz XXMMJKHEQRHAMP-SFHVURJKSA-N 1 0 406.486 4.060 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000530994151 930879382 /nfs/dbraw/zinc/87/93/82/930879382.db2.gz VPFNTIKZCOZGDK-LIRRHRJNSA-N 1 0 404.898 4.220 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1 ZINC000531348669 931026922 /nfs/dbraw/zinc/02/69/22/931026922.db2.gz XARDMBPHKUFYHA-UHFFFAOYSA-N 1 0 403.236 4.136 20 5 HIBDRO C[C@@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCOCC1 ZINC000531629665 931132616 /nfs/dbraw/zinc/13/26/16/931132616.db2.gz MHJQIMQBGPMBDD-VLIAUNLRSA-N 1 0 417.893 4.333 20 5 HIBDRO C[C@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCOCC1 ZINC000531629666 931132821 /nfs/dbraw/zinc/13/28/21/931132821.db2.gz MHJQIMQBGPMBDD-XOBRGWDASA-N 1 0 417.893 4.333 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531696749 931159697 /nfs/dbraw/zinc/15/96/97/931159697.db2.gz CLWVPCDSGLRTJB-LJQANCHMSA-N 1 0 408.458 4.073 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532627636 931560171 /nfs/dbraw/zinc/56/01/71/931560171.db2.gz GTBDJVDATHICAY-LJQANCHMSA-N 1 0 412.486 4.374 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532627849 931560257 /nfs/dbraw/zinc/56/02/57/931560257.db2.gz NSOWGFRNYUGQSG-LJQANCHMSA-N 1 0 412.486 4.374 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000532650974 931568015 /nfs/dbraw/zinc/56/80/15/931568015.db2.gz OKCDLMZCNNWGIY-FQEVSTJZSA-N 1 0 416.909 4.225 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000532651286 931568870 /nfs/dbraw/zinc/56/88/70/931568870.db2.gz QDFRNQQJIOYSNW-TZIWHRDSSA-N 1 0 424.545 4.217 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000532690813 931587864 /nfs/dbraw/zinc/58/78/64/931587864.db2.gz VMQVHUUTWVOTNB-UHFFFAOYSA-N 1 0 418.291 4.273 20 5 HIBDRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532713676 931604321 /nfs/dbraw/zinc/60/43/21/931604321.db2.gz CAXKQGRCRDFOBP-UHFFFAOYSA-N 1 0 424.284 4.136 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4cccc(Cl)c4)CC3)o2)c1 ZINC000532760239 931624244 /nfs/dbraw/zinc/62/42/44/931624244.db2.gz UKFSHRUYGCCKMN-UHFFFAOYSA-N 1 0 412.877 4.268 20 5 HIBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000532866619 931672792 /nfs/dbraw/zinc/67/27/92/931672792.db2.gz XQOBEGSAHNKUOJ-UHFFFAOYSA-N 1 0 422.876 4.087 20 5 HIBDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893997 931683141 /nfs/dbraw/zinc/68/31/41/931683141.db2.gz ULXJSQPGAUUHIK-KSSFIOAISA-N 1 0 411.458 4.274 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533059692 931757535 /nfs/dbraw/zinc/75/75/35/931757535.db2.gz ZJBLBJMWCVAFAX-CQSZACIVSA-N 1 0 418.457 4.462 20 5 HIBDRO CC(C)[C@@H](CO)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000533478639 931879260 /nfs/dbraw/zinc/87/92/60/931879260.db2.gz HTTLPSLYLYAHSQ-OAQYLSRUSA-N 1 0 409.486 4.311 20 5 HIBDRO Cc1c(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000533508440 931888558 /nfs/dbraw/zinc/88/85/58/931888558.db2.gz PXIVNFWNUHBFCZ-MRXNPFEDSA-N 1 0 400.454 4.076 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534242208 932360969 /nfs/dbraw/zinc/36/09/69/932360969.db2.gz IILAWEZDOIDQRY-SCLBCKFNSA-N 1 0 406.845 4.202 20 5 HIBDRO Cn1cc(-c2ccccc2C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000534646290 932618728 /nfs/dbraw/zinc/61/87/28/932618728.db2.gz QMLQTDBPFHDRCX-UHFFFAOYSA-N 1 0 405.483 4.409 20 5 HIBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534869016 932814764 /nfs/dbraw/zinc/81/47/64/932814764.db2.gz PLRUNCHLFNSVNO-MRXNPFEDSA-N 1 0 412.515 4.190 20 5 HIBDRO C[N@H+](C[C@@H]1CCC[C@H]1O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000535115178 932932499 /nfs/dbraw/zinc/93/24/99/932932499.db2.gz DLLQEDFSEOQJAE-BEVDRBHNSA-N 1 0 417.893 4.021 20 5 HIBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000535212933 933018607 /nfs/dbraw/zinc/01/86/07/933018607.db2.gz XJVOOEWNGAIPHH-SFHVURJKSA-N 1 0 421.501 4.055 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799062 933395128 /nfs/dbraw/zinc/39/51/28/933395128.db2.gz AKTCJCPOCCBKPP-UYAOXDASSA-N 1 0 412.486 4.183 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000535817129 933412266 /nfs/dbraw/zinc/41/22/66/933412266.db2.gz ZNAJPYWJSFCSCE-QHCPKHFHSA-N 1 0 417.513 4.118 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000536009711 933568223 /nfs/dbraw/zinc/56/82/23/933568223.db2.gz KRTKZXBWZGSJQM-GOSISDBHSA-N 1 0 422.529 4.095 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000537321405 933715761 /nfs/dbraw/zinc/71/57/61/933715761.db2.gz LIYCPAAQLYMPOI-UHFFFAOYSA-N 1 0 414.380 4.151 20 5 HIBDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000537329173 933717835 /nfs/dbraw/zinc/71/78/35/933717835.db2.gz IXCZJTJNHBDQJT-FQEVSTJZSA-N 1 0 413.909 4.041 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537346704 933728871 /nfs/dbraw/zinc/72/88/71/933728871.db2.gz BJQRRZUGIIXYBD-IFXJQAMLSA-N 1 0 421.419 4.455 20 5 HIBDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000562593620 945105398 /nfs/dbraw/zinc/10/53/98/945105398.db2.gz SJTDTWCDOZURBQ-NZSAHSFTSA-N 1 0 417.941 4.353 20 5 HIBDRO Cc1c(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000537536402 938318112 /nfs/dbraw/zinc/31/81/12/938318112.db2.gz JXCULOXKOCJGLK-UHFFFAOYSA-N 1 0 424.419 4.371 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537642706 938344307 /nfs/dbraw/zinc/34/43/07/938344307.db2.gz UHIVTLJXJDBJET-IBGZPJMESA-N 1 0 423.513 4.238 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)o2)c(Br)c1 ZINC000537647454 938345067 /nfs/dbraw/zinc/34/50/67/938345067.db2.gz QJCRFJCVTYNCQL-UONOGXRCSA-N 1 0 421.291 4.476 20 5 HIBDRO C[C@@H](Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000537652743 938347609 /nfs/dbraw/zinc/34/76/09/938347609.db2.gz OSEGQFFXPGJIEB-OAHLLOKOSA-N 1 0 416.909 4.326 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000537661694 938349212 /nfs/dbraw/zinc/34/92/12/938349212.db2.gz MUUSEFNFISHAHP-UZLBHIALSA-N 1 0 401.532 4.394 20 5 HIBDRO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000537689053 938355251 /nfs/dbraw/zinc/35/52/51/938355251.db2.gz YRTXISKCRATGEC-XMSQKQJNSA-N 1 0 406.486 4.040 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000537689132 938355262 /nfs/dbraw/zinc/35/52/62/938355262.db2.gz HBXCTDJFSQWEKJ-CVDCTZTESA-N 1 0 418.497 4.448 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 ZINC000537775186 938374359 /nfs/dbraw/zinc/37/43/59/938374359.db2.gz YOASKGJWWDFQRU-XMSQKQJNSA-N 1 0 414.527 4.482 20 5 HIBDRO CC(C)(CCCO)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537869340 938395011 /nfs/dbraw/zinc/39/50/11/938395011.db2.gz NGIZNKQVUIJQOS-UHFFFAOYSA-N 1 0 408.502 4.336 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000537969288 938439343 /nfs/dbraw/zinc/43/93/43/938439343.db2.gz SIJZTJKYKHWCAQ-GFCCVEGCSA-N 1 0 411.380 4.129 20 5 HIBDRO CC[N@H+](CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)CC(C)C ZINC000537998306 938456664 /nfs/dbraw/zinc/45/66/64/938456664.db2.gz OWYITODRRCARGV-UHFFFAOYSA-N 1 0 415.538 4.225 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000538126437 938512594 /nfs/dbraw/zinc/51/25/94/938512594.db2.gz VCQOITGSFXWEFE-GJZGRUSLSA-N 1 0 401.463 4.068 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000538174398 938536169 /nfs/dbraw/zinc/53/61/69/938536169.db2.gz HOHNSAYGZYTCQH-GOSISDBHSA-N 1 0 403.482 4.493 20 5 HIBDRO CCC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1F ZINC000538223487 938563335 /nfs/dbraw/zinc/56/33/35/938563335.db2.gz OTCGNQGKTCFZMB-KRWDZBQOSA-N 1 0 407.417 4.341 20 5 HIBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1F ZINC000538223489 938563373 /nfs/dbraw/zinc/56/33/73/938563373.db2.gz OTCGNQGKTCFZMB-QGZVFWFLSA-N 1 0 407.417 4.341 20 5 HIBDRO COc1cc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000538234502 938568083 /nfs/dbraw/zinc/56/80/83/938568083.db2.gz RCNQRKVKBBEBTF-RHSMWYFYSA-N 1 0 422.428 4.462 20 5 HIBDRO COc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716850 938689000 /nfs/dbraw/zinc/68/90/00/938689000.db2.gz GENYNJFXKYEMJO-UWJYYQICSA-N 1 0 413.518 4.097 20 5 HIBDRO COc1cc(C[N@H+](C)CC2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538732881 938695712 /nfs/dbraw/zinc/69/57/12/938695712.db2.gz ZESHQWLUVMNOFM-UHFFFAOYSA-N 1 0 400.475 4.041 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000539075477 938795402 /nfs/dbraw/zinc/79/54/02/938795402.db2.gz HDSUBVJQUOQRCE-GFCCVEGCSA-N 1 0 411.380 4.129 20 5 HIBDRO CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539074921 938795612 /nfs/dbraw/zinc/79/56/12/938795612.db2.gz KFMVHCZJKLJVOL-NRFANRHFSA-N 1 0 419.547 4.256 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000539094585 938801918 /nfs/dbraw/zinc/80/19/18/938801918.db2.gz WPOSXJMAOBJWMW-SZMVWBNQSA-N 1 0 407.470 4.243 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000539125993 938807168 /nfs/dbraw/zinc/80/71/68/938807168.db2.gz KZIHRWCVWLZQRQ-XIKOKIGWSA-N 1 0 409.280 4.232 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000539264912 938829754 /nfs/dbraw/zinc/82/97/54/938829754.db2.gz MJQMYSWODQKAHH-ZDUSSCGKSA-N 1 0 411.380 4.134 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000539264444 938829847 /nfs/dbraw/zinc/82/98/47/938829847.db2.gz DXPMUZPQROYMCP-OAHLLOKOSA-N 1 0 401.463 4.070 20 5 HIBDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C ZINC000539291246 938834807 /nfs/dbraw/zinc/83/48/07/938834807.db2.gz VUSNWXGKYWJVEU-CYBMUJFWSA-N 1 0 406.280 4.263 20 5 HIBDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)c1 ZINC000539305355 938837685 /nfs/dbraw/zinc/83/76/85/938837685.db2.gz PMDRUHBOMPDPAZ-QGZVFWFLSA-N 1 0 419.481 4.432 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000539338690 938844727 /nfs/dbraw/zinc/84/47/27/938844727.db2.gz HVBRBJWMEZRUTC-KSFYIVLOSA-N 1 0 402.454 4.113 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)c([N+](=O)[O-])c1 ZINC000539359728 938848096 /nfs/dbraw/zinc/84/80/96/938848096.db2.gz HBOLQHWIQVQHKP-UHFFFAOYSA-N 1 0 423.391 4.230 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000539674170 938898559 /nfs/dbraw/zinc/89/85/59/938898559.db2.gz WRWZOQCEJUPACU-UHFFFAOYSA-N 1 0 405.564 4.435 20 5 HIBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894191 938969809 /nfs/dbraw/zinc/96/98/09/938969809.db2.gz GFBLFYXSFPHPLA-XWRIVVANSA-N 1 0 419.909 4.192 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540066479 939056716 /nfs/dbraw/zinc/05/67/16/939056716.db2.gz JVZLJYQGWZPQJV-OAQYLSRUSA-N 1 0 416.481 4.224 20 5 HIBDRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540181305 939108858 /nfs/dbraw/zinc/10/88/58/939108858.db2.gz FGYVEQWNLLZKJH-WLYUNCDWSA-N 1 0 408.545 4.330 20 5 HIBDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(C)C ZINC000540350980 939202969 /nfs/dbraw/zinc/20/29/69/939202969.db2.gz FYEXREMOIWKBOW-INIZCTEOSA-N 1 0 415.490 4.378 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540361604 939210040 /nfs/dbraw/zinc/21/00/40/939210040.db2.gz KIAVGTCOXJNYPW-HNNXBMFYSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000540376075 939216442 /nfs/dbraw/zinc/21/64/42/939216442.db2.gz NXZLZQBPYZNLQW-CQSZACIVSA-N 1 0 421.419 4.455 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540378103 939218075 /nfs/dbraw/zinc/21/80/75/939218075.db2.gz BXRJYVCGZFMOMV-QGZVFWFLSA-N 1 0 405.454 4.463 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408011 939237474 /nfs/dbraw/zinc/23/74/74/939237474.db2.gz OCIPDGLNCBVBNA-IAGOWNOFSA-N 1 0 400.498 4.288 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC000540423772 939243693 /nfs/dbraw/zinc/24/36/93/939243693.db2.gz GEKODAHDDNHHFN-KGLIPLIRSA-N 1 0 401.438 4.201 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000540440465 939251263 /nfs/dbraw/zinc/25/12/63/939251263.db2.gz WKVVQYDOFGLSTE-HOTGVXAUSA-N 1 0 420.469 4.343 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] ZINC000540475746 939267195 /nfs/dbraw/zinc/26/71/95/939267195.db2.gz CIUSTYBGWFJRQJ-LBPRGKRZSA-N 1 0 402.501 4.378 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540594856 939314440 /nfs/dbraw/zinc/31/44/40/939314440.db2.gz GTKIEPVRDSMLFH-YPLUBFQTSA-N 1 0 408.502 4.215 20 5 HIBDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540753985 939359976 /nfs/dbraw/zinc/35/99/76/939359976.db2.gz UFAFUMOYTXGYFP-FDDCHVKYSA-N 1 0 403.482 4.173 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541576025 939559086 /nfs/dbraw/zinc/55/90/86/939559086.db2.gz QPFZJMPHAFNFPL-DJJJIMSYSA-N 1 0 415.856 4.435 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541606319 939567683 /nfs/dbraw/zinc/56/76/83/939567683.db2.gz ZLMKPHLNABPYHN-OAHLLOKOSA-N 1 0 417.506 4.333 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541786291 939629593 /nfs/dbraw/zinc/62/95/93/939629593.db2.gz KBSXRYCYQWZECZ-QVDMIQRCSA-N 1 0 400.454 4.012 20 5 HIBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890516 939649502 /nfs/dbraw/zinc/64/95/02/939649502.db2.gz NFJAWBBBHUQUMB-MJGOQNOKSA-N 1 0 406.486 4.040 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000542212920 939758862 /nfs/dbraw/zinc/75/88/62/939758862.db2.gz SDAQQADMJLRTOM-QFIPXVFZSA-N 1 0 419.481 4.061 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542359539 939807371 /nfs/dbraw/zinc/80/73/71/939807371.db2.gz VHOXGLFVGDCUTH-UHFFFAOYSA-N 1 0 421.950 4.451 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c(Cl)c1 ZINC000542471757 939828487 /nfs/dbraw/zinc/82/84/87/939828487.db2.gz NARNBDLDGVPGFY-IBGZPJMESA-N 1 0 410.301 4.065 20 5 HIBDRO Cc1c(Br)c(NCc2ccc(OCCC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000542507719 939834306 /nfs/dbraw/zinc/83/43/06/939834306.db2.gz MMICEVVQVIHOEF-UHFFFAOYSA-N 1 0 423.311 4.003 20 5 HIBDRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542510623 939834925 /nfs/dbraw/zinc/83/49/25/939834925.db2.gz MAALXQQSRGDWLZ-LNLFQRSKSA-N 1 0 413.493 4.349 20 5 HIBDRO Cc1c(Br)c(NC2CC[NH+](CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000542521623 939836828 /nfs/dbraw/zinc/83/68/28/939836828.db2.gz WIYGFEBKQABXMI-UHFFFAOYSA-N 1 0 419.323 4.180 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542591359 939847027 /nfs/dbraw/zinc/84/70/27/939847027.db2.gz ZPZWSGMQKCHLRN-YOEHRIQHSA-N 1 0 413.499 4.117 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC000542916954 939877501 /nfs/dbraw/zinc/87/75/01/939877501.db2.gz RDZGAPBESYXSDW-IAGOWNOFSA-N 1 0 416.522 4.141 20 5 HIBDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000543049239 939909663 /nfs/dbraw/zinc/90/96/63/939909663.db2.gz TXVBNFDUVKULGY-CQSZACIVSA-N 1 0 424.423 4.079 20 5 HIBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000543122776 939956897 /nfs/dbraw/zinc/95/68/97/939956897.db2.gz HMEOTYCCPSUKQW-UHFFFAOYSA-N 1 0 423.922 4.056 20 5 HIBDRO CCc1ccc([C@@H](NC2CC[NH+](Cc3ccncc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543411696 940057317 /nfs/dbraw/zinc/05/73/17/940057317.db2.gz ZZRZMPIIKKGKCQ-DEOSSOPVSA-N 1 0 420.513 4.489 20 5 HIBDRO Cc1c(Br)c(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000543437491 940063834 /nfs/dbraw/zinc/06/38/34/940063834.db2.gz VSODFEIZGLGYEA-ZDUSSCGKSA-N 1 0 420.311 4.093 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H](C)c1ccccc1 ZINC000543469039 940074275 /nfs/dbraw/zinc/07/42/75/940074275.db2.gz HBVVEEAUHQESAZ-HUUCEWRRSA-N 1 0 410.499 4.439 20 5 HIBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000543498311 940085622 /nfs/dbraw/zinc/08/56/22/940085622.db2.gz WJUDUTHQCMGFJC-JTQLQIEISA-N 1 0 402.398 4.140 20 5 HIBDRO C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000543561519 940109424 /nfs/dbraw/zinc/10/94/24/940109424.db2.gz RCCPSIHTHKFTSL-XOBRGWDASA-N 1 0 419.884 4.444 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)cc1 ZINC000543596317 940124966 /nfs/dbraw/zinc/12/49/66/940124966.db2.gz CNQUFYYLJBZADT-RBUKOAKNSA-N 1 0 402.516 4.075 20 5 HIBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000543623746 940138189 /nfs/dbraw/zinc/13/81/89/940138189.db2.gz JRIYACVINYEBAT-MRXNPFEDSA-N 1 0 411.437 4.332 20 5 HIBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000543810635 940194334 /nfs/dbraw/zinc/19/43/34/940194334.db2.gz YWUYCGPHFZMFAF-CYBMUJFWSA-N 1 0 413.865 4.032 20 5 HIBDRO CC(C)c1ccc(OC2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000544072515 940317828 /nfs/dbraw/zinc/31/78/28/940317828.db2.gz ZFEWEVFRNHENHG-IBGZPJMESA-N 1 0 414.502 4.001 20 5 HIBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000544471290 940446313 /nfs/dbraw/zinc/44/63/13/940446313.db2.gz NXUYDXFDZOQGNB-LLVKDONJSA-N 1 0 422.308 4.028 20 5 HIBDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000544600331 940488049 /nfs/dbraw/zinc/48/80/49/940488049.db2.gz NRFVLMKAKRXGQT-XQRVVYSFSA-N 1 0 418.291 4.297 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000544608186 940489681 /nfs/dbraw/zinc/48/96/81/940489681.db2.gz MCHAUUVCKKSAEE-OAHLLOKOSA-N 1 0 419.407 4.344 20 5 HIBDRO Cc1c(Cc2noc(-c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)n2)cccc1[N+](=O)[O-] ZINC000545781368 940589215 /nfs/dbraw/zinc/58/92/15/940589215.db2.gz QVKAIMNKIUAQAK-HOTGVXAUSA-N 1 0 422.485 4.153 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547233606 941039922 /nfs/dbraw/zinc/03/99/22/941039922.db2.gz GWPLOZJWPUUTGQ-QGZVFWFLSA-N 1 0 413.493 4.135 20 5 HIBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000548038800 941083780 /nfs/dbraw/zinc/08/37/80/941083780.db2.gz OMUZPBSTHFEECS-UHFFFAOYSA-N 1 0 411.505 4.424 20 5 HIBDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548761153 941123090 /nfs/dbraw/zinc/12/30/90/941123090.db2.gz KJXJGGUGJLPEFX-AWEZNQCLSA-N 1 0 420.307 4.297 20 5 HIBDRO COc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000548932232 941130636 /nfs/dbraw/zinc/13/06/36/941130636.db2.gz WQZWLHNVQCFKRG-OAQYLSRUSA-N 1 0 401.482 4.133 20 5 HIBDRO COc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000548932231 941130709 /nfs/dbraw/zinc/13/07/09/941130709.db2.gz WQZWLHNVQCFKRG-NRFANRHFSA-N 1 0 401.482 4.133 20 5 HIBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[NH+](C)C)cc1 ZINC000549088052 941155477 /nfs/dbraw/zinc/15/54/77/941155477.db2.gz RHTVFAYFDLSAHF-SFHVURJKSA-N 1 0 409.408 4.209 20 5 HIBDRO CC(=O)c1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000549232546 941172674 /nfs/dbraw/zinc/17/26/74/941172674.db2.gz IPMRNLSMVGNQEC-FQEVSTJZSA-N 1 0 423.513 4.138 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549424101 941188585 /nfs/dbraw/zinc/18/85/85/941188585.db2.gz KYVQSQHIPARZSF-SFHVURJKSA-N 1 0 407.392 4.181 20 5 HIBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549741549 941206167 /nfs/dbraw/zinc/20/61/67/941206167.db2.gz OKHMFONZYRWANW-UHFFFAOYSA-N 1 0 421.419 4.051 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000549859619 941218174 /nfs/dbraw/zinc/21/81/74/941218174.db2.gz VQTQDYLNOLJBIO-OAHLLOKOSA-N 1 0 409.442 4.134 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000550312532 941312980 /nfs/dbraw/zinc/31/29/80/941312980.db2.gz NZLIGCWHXACMBC-UHFFFAOYSA-N 1 0 412.328 4.052 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000551211964 941428294 /nfs/dbraw/zinc/42/82/94/941428294.db2.gz OLMJRIACWRFATE-HEHGZKQESA-N 1 0 405.296 4.209 20 5 HIBDRO CC(C)(C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1[N+](=O)[O-] ZINC000551362566 941461619 /nfs/dbraw/zinc/46/16/19/941461619.db2.gz FJUREIQGKYGGLF-VWLOTQADSA-N 1 0 421.541 4.387 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000552058125 941575699 /nfs/dbraw/zinc/57/56/99/941575699.db2.gz WOHKCALJMFRVID-XFQXTVEOSA-N 1 0 417.893 4.128 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000552209436 941603743 /nfs/dbraw/zinc/60/37/43/941603743.db2.gz CLKICHOQJKYYNK-CQSZACIVSA-N 1 0 407.923 4.045 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](O)C34CCCC4)o2)c(Br)c1 ZINC000552316936 941630050 /nfs/dbraw/zinc/63/00/50/941630050.db2.gz UQACSULXSMBLHG-SFHVURJKSA-N 1 0 421.291 4.497 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000552351553 941641787 /nfs/dbraw/zinc/64/17/87/941641787.db2.gz XYZDADCKIJXKCV-QFIPXVFZSA-N 1 0 411.527 4.055 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000552680034 941735847 /nfs/dbraw/zinc/73/58/47/941735847.db2.gz CCUQNXJAZNOSEC-QHCPKHFHSA-N 1 0 405.454 4.079 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552911760 941801946 /nfs/dbraw/zinc/80/19/46/941801946.db2.gz OOHVFNGPGOSCCT-WCQYABFASA-N 1 0 413.421 4.137 20 5 HIBDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000554185702 942060899 /nfs/dbraw/zinc/06/08/99/942060899.db2.gz WCUFIGOGXPHYMQ-UHFFFAOYSA-N 1 0 416.524 4.407 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000554354659 942111829 /nfs/dbraw/zinc/11/18/29/942111829.db2.gz MJFULCDUMDUZAQ-HXUWFJFHSA-N 1 0 400.479 4.115 20 5 HIBDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554878832 942305531 /nfs/dbraw/zinc/30/55/31/942305531.db2.gz GYHIQJKPJUEZKA-FQEVSTJZSA-N 1 0 408.506 4.453 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC000555133497 942397080 /nfs/dbraw/zinc/39/70/80/942397080.db2.gz SXWUIYRWILTYEM-OFNKIYASSA-N 1 0 411.502 4.070 20 5 HIBDRO Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)cc1[N+](=O)[O-] ZINC000555231039 942438967 /nfs/dbraw/zinc/43/89/67/942438967.db2.gz JZCVAKRDSQXULX-LJQANCHMSA-N 1 0 413.493 4.383 20 5 HIBDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000555368739 942498919 /nfs/dbraw/zinc/49/89/19/942498919.db2.gz ZTUJIBXGWNJSHX-ZNXRZULTSA-N 1 0 409.515 4.362 20 5 HIBDRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556242060 942824844 /nfs/dbraw/zinc/82/48/44/942824844.db2.gz QSCQLVRDSZDKJM-YDFBLROQSA-N 1 0 411.477 4.453 20 5 HIBDRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556242059 942825055 /nfs/dbraw/zinc/82/50/55/942825055.db2.gz QSCQLVRDSZDKJM-UJUVCNOISA-N 1 0 411.477 4.453 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000556641015 942924999 /nfs/dbraw/zinc/92/49/99/942924999.db2.gz SCKDOLAOAHTQIO-UHFFFAOYSA-N 1 0 401.894 4.410 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000556911341 942962012 /nfs/dbraw/zinc/96/20/12/942962012.db2.gz KYLROPGUXIVBLU-UXLLHSPISA-N 1 0 418.519 4.236 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000557263842 943063316 /nfs/dbraw/zinc/06/33/16/943063316.db2.gz ZXXFTUDUYVDYSH-HRAATJIYSA-N 1 0 403.910 4.281 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000558497550 943576278 /nfs/dbraw/zinc/57/62/78/943576278.db2.gz OVMVGDMANWXEDU-PMACEKPBSA-N 1 0 408.502 4.197 20 5 HIBDRO Cc1nc(-c2ccc(CC[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])s2)cs1 ZINC000558573572 943603610 /nfs/dbraw/zinc/60/36/10/943603610.db2.gz YOIJQWQNYRQRJW-UHFFFAOYSA-N 1 0 416.528 4.249 20 5 HIBDRO COC(=O)COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000559071544 943824654 /nfs/dbraw/zinc/82/46/54/943824654.db2.gz DHAZNXAMCWXLMS-ACDBMABISA-N 1 0 410.470 4.057 20 5 HIBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000559155508 943854950 /nfs/dbraw/zinc/85/49/50/943854950.db2.gz OMLXRCDQLIUDLU-GFCCVEGCSA-N 1 0 412.364 4.016 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559824166 944061254 /nfs/dbraw/zinc/06/12/54/944061254.db2.gz HRNQFGRTRQMZSB-LSDHHAIUSA-N 1 0 413.440 4.340 20 5 HIBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000561228314 944520304 /nfs/dbraw/zinc/52/03/04/944520304.db2.gz OTCQMBMDTJUTRJ-SJORKVTESA-N 1 0 411.527 4.445 20 5 HIBDRO CSc1ccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000561652073 944728947 /nfs/dbraw/zinc/72/89/47/944728947.db2.gz WNPABIDJSBRKKR-IBGZPJMESA-N 1 0 417.531 4.137 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000564119741 945387213 /nfs/dbraw/zinc/38/72/13/945387213.db2.gz XRSZNJAIEYJLFJ-RBUKOAKNSA-N 1 0 414.502 4.071 20 5 HIBDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 ZINC000564255079 945470845 /nfs/dbraw/zinc/47/08/45/945470845.db2.gz YXVVJXXMTXJIHI-DENIHFKCSA-N 1 0 421.457 4.314 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000564521252 945648485 /nfs/dbraw/zinc/64/84/85/945648485.db2.gz MSKIEMCLULXKBE-GOSISDBHSA-N 1 0 413.543 4.349 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000565673652 945864256 /nfs/dbraw/zinc/86/42/56/945864256.db2.gz CYROAEJLLWZLHG-UHFFFAOYSA-N 1 0 424.545 4.211 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)o2)c(Br)c1 ZINC000565859311 945897046 /nfs/dbraw/zinc/89/70/46/945897046.db2.gz BNBSAPLEHMMCFP-CQSZACIVSA-N 1 0 423.185 4.020 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000566808960 946102073 /nfs/dbraw/zinc/10/20/73/946102073.db2.gz JAHFDDWMKKSTRS-OAQYLSRUSA-N 1 0 411.502 4.024 20 5 HIBDRO C[NH+]1CCC(N(Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2Br)CC1 ZINC000566887774 946156402 /nfs/dbraw/zinc/15/64/02/946156402.db2.gz XLICSMFOLFXTTJ-UHFFFAOYSA-N 1 0 418.335 4.454 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)co2)cc1 ZINC000568143204 946480397 /nfs/dbraw/zinc/48/03/97/946480397.db2.gz HIIYDZVERVTGGK-RTWAWAEBSA-N 1 0 418.497 4.204 20 5 HIBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000568436639 946545257 /nfs/dbraw/zinc/54/52/57/946545257.db2.gz WPIWAAPDIFWZBK-IBGZPJMESA-N 1 0 423.847 4.022 20 5 HIBDRO C[C@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000568699587 946665845 /nfs/dbraw/zinc/66/58/45/946665845.db2.gz MTMHGSYGNSWYAJ-UGSOOPFHSA-N 1 0 409.408 4.136 20 5 HIBDRO COC[C@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)OCCc2ccccc21 ZINC000569513030 946882979 /nfs/dbraw/zinc/88/29/79/946882979.db2.gz JNPULFVOPFKHDV-QHCPKHFHSA-N 1 0 408.454 4.059 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000571583918 947712263 /nfs/dbraw/zinc/71/22/63/947712263.db2.gz FDJAVBHGQQWICZ-WIYYLYMNSA-N 1 0 405.445 4.195 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571587623 947715721 /nfs/dbraw/zinc/71/57/21/947715721.db2.gz WEWVPVOHHUOBBM-LEWJYISDSA-N 1 0 412.486 4.326 20 5 HIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000571718057 947760643 /nfs/dbraw/zinc/76/06/43/947760643.db2.gz DGEWDTUOCFASQO-AWEZNQCLSA-N 1 0 407.474 4.253 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000571932436 947815840 /nfs/dbraw/zinc/81/58/40/947815840.db2.gz XOMALCIMVYWEMW-HOCLYGCPSA-N 1 0 409.408 4.323 20 5 HIBDRO CSc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000572074334 947839834 /nfs/dbraw/zinc/83/98/34/947839834.db2.gz RFENDUFSODMJIP-LIRRHRJNSA-N 1 0 419.572 4.216 20 5 HIBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000572610068 947956697 /nfs/dbraw/zinc/95/66/97/947956697.db2.gz HKZORWHXOJOUCN-UHFFFAOYSA-N 1 0 410.518 4.330 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000572656984 947970588 /nfs/dbraw/zinc/97/05/88/947970588.db2.gz PJADTIVXCPDCPI-CYBMUJFWSA-N 1 0 414.462 4.364 20 5 HIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000573983624 948340701 /nfs/dbraw/zinc/34/07/01/948340701.db2.gz ORMILCOMJOWIJR-RUZDIDTESA-N 1 0 401.315 4.184 20 5 HIBDRO CC(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000574082920 948361011 /nfs/dbraw/zinc/36/10/11/948361011.db2.gz XWBKWOSGUATMDJ-MRXNPFEDSA-N 1 0 401.429 4.100 20 5 HIBDRO CC(C)N(C)Cc1nn(-c2ccc3ccc4ccc(Cl)nc4c3n2)c2c1CC[NH2+]C2 ZINC001164681592 719623197 /nfs/dbraw/zinc/62/31/97/719623197.db2.gz INTXLUBMMIYXBD-UHFFFAOYSA-N 1 0 420.948 4.108 20 5 HIBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728291 720478732 /nfs/dbraw/zinc/47/87/32/720478732.db2.gz OYIYTEHZTCXLCX-ZWKOTPCHSA-N 1 0 409.877 4.045 20 5 HIBDRO COc1cc(C)nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1[N+](=O)[O-] ZINC001164759952 721044286 /nfs/dbraw/zinc/04/42/86/721044286.db2.gz RVLMNEBLFHZIOR-UHFFFAOYSA-N 1 0 424.545 4.498 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001165026948 721808027 /nfs/dbraw/zinc/80/80/27/721808027.db2.gz SWRJNTPGYWTZCZ-AVCGJXAMSA-N 1 0 417.513 4.275 20 5 HIBDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001165037091 721899558 /nfs/dbraw/zinc/89/95/58/721899558.db2.gz JOXQQAVXYKMQCA-MRXNPFEDSA-N 1 0 410.852 4.386 20 5 HIBDRO O=[N+]([O-])c1cccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164952537 722017128 /nfs/dbraw/zinc/01/71/28/722017128.db2.gz NHIDKOZHURQVSX-UHFFFAOYSA-N 1 0 403.486 4.031 20 5 HIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955303 722020228 /nfs/dbraw/zinc/02/02/28/722020228.db2.gz FCXUTRJKYOIQCI-UHFFFAOYSA-N 1 0 403.486 4.031 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436154826 861454914 /nfs/dbraw/zinc/45/49/14/861454914.db2.gz QONFJNAZRLZMOR-HOTGVXAUSA-N 1 0 423.532 4.307 20 5 HIBDRO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000436252940 861564388 /nfs/dbraw/zinc/56/43/88/861564388.db2.gz KPLXUQGQVMFRSW-UHFFFAOYSA-N 1 0 421.497 4.115 20 5 HIBDRO O=C([C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000436304257 861609587 /nfs/dbraw/zinc/60/95/87/861609587.db2.gz YCBADFVDKVLNNK-GIWBLDEGSA-N 1 0 407.514 4.455 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000436317185 861620646 /nfs/dbraw/zinc/62/06/46/861620646.db2.gz ZQMMCPSKFMAECV-UHFFFAOYSA-N 1 0 400.426 4.394 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000019538747 846367697 /nfs/dbraw/zinc/36/76/97/846367697.db2.gz KAFLPTMAAOMCMR-NRFANRHFSA-N 1 0 405.454 4.116 20 5 HIBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024316593 846812639 /nfs/dbraw/zinc/81/26/39/846812639.db2.gz ZDRJJIAQHXOUAL-JLHYYAGUSA-N 1 0 401.466 4.106 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCSc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000025216601 846943174 /nfs/dbraw/zinc/94/31/74/846943174.db2.gz UJBSKSUOUQAXSS-ABAIWWIYSA-N 1 0 421.906 4.411 20 5 HIBDRO COc1cc(C[NH2+]CCc2cn(C)c3cc(Cl)ccc23)c([N+](=O)[O-])cc1OC ZINC000436405285 861751479 /nfs/dbraw/zinc/75/14/79/861751479.db2.gz GAAGBGRFIZHFSR-UHFFFAOYSA-N 1 0 403.866 4.089 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000026224865 847106210 /nfs/dbraw/zinc/10/62/10/847106210.db2.gz RJPYXZIOXMCSFR-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000027677139 847335210 /nfs/dbraw/zinc/33/52/10/847335210.db2.gz IPJDQLKUDQKCIF-LJQANCHMSA-N 1 0 410.499 4.433 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])cc2)CC1 ZINC000029529482 847574649 /nfs/dbraw/zinc/57/46/49/847574649.db2.gz HUNGSWDQXDVEOY-UHFFFAOYSA-N 1 0 422.529 4.331 20 5 HIBDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000030492465 847721160 /nfs/dbraw/zinc/72/11/60/847721160.db2.gz UGERBDHCFHUCOQ-LSDHHAIUSA-N 1 0 401.463 4.068 20 5 HIBDRO C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000030510929 847724656 /nfs/dbraw/zinc/72/46/56/847724656.db2.gz FKIHZLKDWAZZJL-MRXNPFEDSA-N 1 0 409.442 4.021 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000043506056 848433384 /nfs/dbraw/zinc/43/33/84/848433384.db2.gz CVROBKDQJFOLNC-UHFFFAOYSA-N 1 0 403.482 4.182 20 5 HIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049700199 849320866 /nfs/dbraw/zinc/32/08/66/849320866.db2.gz QSWGFJRCJPYPQQ-UHFFFAOYSA-N 1 0 405.458 4.019 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCc1nccs1)c1ccccc1 ZINC000051164927 849438675 /nfs/dbraw/zinc/43/86/75/849438675.db2.gz UYLNJKCFPODALQ-SFHVURJKSA-N 1 0 416.890 4.217 20 5 HIBDRO C[N@H+](CC1CC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000053183744 849677173 /nfs/dbraw/zinc/67/71/73/849677173.db2.gz DZGMORYJFYBYKQ-GOSISDBHSA-N 1 0 418.291 4.379 20 5 HIBDRO Cn1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053481293 849719100 /nfs/dbraw/zinc/71/91/00/849719100.db2.gz FAUOVPITBCRLKA-UHFFFAOYSA-N 1 0 419.485 4.234 20 5 HIBDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056161823 850264866 /nfs/dbraw/zinc/26/48/66/850264866.db2.gz OFKKFIMKGKQPMO-HZPDHXFCSA-N 1 0 415.490 4.378 20 5 HIBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000057783166 850714571 /nfs/dbraw/zinc/71/45/71/850714571.db2.gz KVCAVZMCPWESQY-UHFFFAOYSA-N 1 0 414.531 4.019 20 5 HIBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437010529 862186160 /nfs/dbraw/zinc/18/61/60/862186160.db2.gz DCRGWBBCBIZUTM-MRXNPFEDSA-N 1 0 421.419 4.208 20 5 HIBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000060061003 851035332 /nfs/dbraw/zinc/03/53/32/851035332.db2.gz MYYOOHNDRABKKU-UHFFFAOYSA-N 1 0 410.301 4.496 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000060269521 851057270 /nfs/dbraw/zinc/05/72/70/851057270.db2.gz YLNZHEIZSQLWOX-LJQANCHMSA-N 1 0 415.465 4.052 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000060269519 851057354 /nfs/dbraw/zinc/05/73/54/851057354.db2.gz YLNZHEIZSQLWOX-IBGZPJMESA-N 1 0 415.465 4.052 20 5 HIBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000060470287 851110724 /nfs/dbraw/zinc/11/07/24/851110724.db2.gz ZGLLADSJLZDHKQ-CQSZACIVSA-N 1 0 417.918 4.366 20 5 HIBDRO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543839 851141312 /nfs/dbraw/zinc/14/13/12/851141312.db2.gz JKXGTPDVKXRPBO-PXNSSMCTSA-N 1 0 413.543 4.371 20 5 HIBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000060624381 851170490 /nfs/dbraw/zinc/17/04/90/851170490.db2.gz PNGFQSJHHIRUJH-CEXWTWQISA-N 1 0 418.582 4.317 20 5 HIBDRO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000061003600 851270056 /nfs/dbraw/zinc/27/00/56/851270056.db2.gz JISIEFBHOLVDSD-UHFFFAOYSA-N 1 0 416.522 4.390 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437037250 862226225 /nfs/dbraw/zinc/22/62/25/862226225.db2.gz BMNDKSMPLXPTQZ-PKOBYXMFSA-N 1 0 413.543 4.056 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000061503727 851391533 /nfs/dbraw/zinc/39/15/33/851391533.db2.gz SYSOVNIBKMPUHT-UHFFFAOYSA-N 1 0 406.486 4.382 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000061596634 851412083 /nfs/dbraw/zinc/41/20/83/851412083.db2.gz HLBWPRZPJQLMGF-UHFFFAOYSA-N 1 0 410.499 4.186 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000437103832 862291335 /nfs/dbraw/zinc/29/13/35/862291335.db2.gz MBMDKCCRSFDCQH-MNOVXSKESA-N 1 0 412.309 4.487 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000064737512 851971772 /nfs/dbraw/zinc/97/17/72/851971772.db2.gz YFUGQDBEYGPWFK-INIZCTEOSA-N 1 0 423.941 4.130 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065087168 852059322 /nfs/dbraw/zinc/05/93/22/852059322.db2.gz HZQIPHQVOFBYJP-UHFFFAOYSA-N 1 0 424.526 4.490 20 5 HIBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437136869 862327864 /nfs/dbraw/zinc/32/78/64/862327864.db2.gz MVNMFINPTNZRKQ-UHFFFAOYSA-N 1 0 421.419 4.051 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000072006512 852462258 /nfs/dbraw/zinc/46/22/58/852462258.db2.gz CGKKVARFMWAGEO-HXUWFJFHSA-N 1 0 401.894 4.451 20 5 HIBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072035125 852477635 /nfs/dbraw/zinc/47/76/35/852477635.db2.gz CYTBNSMKAKGCQR-UHFFFAOYSA-N 1 0 424.328 4.425 20 5 HIBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)CC1 ZINC000437200639 862391100 /nfs/dbraw/zinc/39/11/00/862391100.db2.gz PLYCZZBYFRYZCB-HNNXBMFYSA-N 1 0 413.440 4.198 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000107564664 852777063 /nfs/dbraw/zinc/77/70/63/852777063.db2.gz ORQGFGOGGZGVDN-UHFFFAOYSA-N 1 0 413.543 4.479 20 5 HIBDRO COc1cccc(C[NH+]2CCC(Nc3ccc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000108095850 852822145 /nfs/dbraw/zinc/82/21/45/852822145.db2.gz PEHVBQDLUZLZIZ-UHFFFAOYSA-N 1 0 420.307 4.442 20 5 HIBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)CC1 ZINC000108162353 852827158 /nfs/dbraw/zinc/82/71/58/852827158.db2.gz YUULZXNOSWMUPE-UHFFFAOYSA-N 1 0 419.485 4.265 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000109940383 853037662 /nfs/dbraw/zinc/03/76/62/853037662.db2.gz VRILVBIPUQNPJA-UHFFFAOYSA-N 1 0 424.526 4.045 20 5 HIBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000110695613 853139554 /nfs/dbraw/zinc/13/95/54/853139554.db2.gz GICYKXZAAPYSPP-AWEZNQCLSA-N 1 0 416.909 4.073 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140149514 853435674 /nfs/dbraw/zinc/43/56/74/853435674.db2.gz VCTLPWFBEALWCN-HZPDHXFCSA-N 1 0 419.572 4.165 20 5 HIBDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000150214351 853640785 /nfs/dbraw/zinc/64/07/85/853640785.db2.gz QBZMWKYCFJFMRL-HXUWFJFHSA-N 1 0 413.474 4.086 20 5 HIBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000214166837 853828941 /nfs/dbraw/zinc/82/89/41/853828941.db2.gz RQDSMXDKTGTTIZ-FLIBITNWSA-N 1 0 421.419 4.217 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236716670 853915594 /nfs/dbraw/zinc/91/55/94/853915594.db2.gz QQHDIULTICDYMW-LLCTXKFZSA-N 1 0 416.319 4.487 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)cs1 ZINC000236778407 853922132 /nfs/dbraw/zinc/92/21/32/853922132.db2.gz ATHZXTAYJMSLSK-UHFFFAOYSA-N 1 0 411.321 4.257 20 5 HIBDRO CC(C)(C)C(=O)NCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236794168 853923532 /nfs/dbraw/zinc/92/35/32/853923532.db2.gz RAIIGBPOGLTRLR-UHFFFAOYSA-N 1 0 405.882 4.292 20 5 HIBDRO CC[NH+]1CCC(n2nccc2NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000236836045 853927975 /nfs/dbraw/zinc/92/79/75/853927975.db2.gz WXDIRTPYLYSIRJ-UHFFFAOYSA-N 1 0 412.519 4.184 20 5 HIBDRO C[NH+](C)Cc1cc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000237065197 853958493 /nfs/dbraw/zinc/95/84/93/853958493.db2.gz DRXTUVFYCHVXEC-UHFFFAOYSA-N 1 0 400.479 4.209 20 5 HIBDRO CN(C)C(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCC1 ZINC000237128499 853968961 /nfs/dbraw/zinc/96/89/61/853968961.db2.gz CIDRGQKRLUZBQC-UHFFFAOYSA-N 1 0 405.882 4.246 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)c2cn(C)nc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237174737 853975501 /nfs/dbraw/zinc/97/55/01/853975501.db2.gz CINOMQAZALZBHC-OAHLLOKOSA-N 1 0 410.474 4.075 20 5 HIBDRO COc1ccc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237205386 853982192 /nfs/dbraw/zinc/98/21/92/853982192.db2.gz HDNJNCJWARGFFL-GOTSBHOMSA-N 1 0 414.502 4.213 20 5 HIBDRO CO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000237213332 853983642 /nfs/dbraw/zinc/98/36/42/853983642.db2.gz FQUAYPCKONRSNN-LJQANCHMSA-N 1 0 400.866 4.126 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237385381 854019363 /nfs/dbraw/zinc/01/93/63/854019363.db2.gz FZNRUDZMMVCRDF-QGZVFWFLSA-N 1 0 407.518 4.214 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(Cn4ccnc4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237419666 854028703 /nfs/dbraw/zinc/02/87/03/854028703.db2.gz AUIYDWUXNKDROW-UHFFFAOYSA-N 1 0 418.453 4.398 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCCCO4)o2)c([N+](=O)[O-])c1 ZINC000237421244 854029991 /nfs/dbraw/zinc/02/99/91/854029991.db2.gz WRQYPHPLRUYZLT-UHFFFAOYSA-N 1 0 410.426 4.315 20 5 HIBDRO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Nc1ccc(F)c(F)c1F ZINC000237846065 854107467 /nfs/dbraw/zinc/10/74/67/854107467.db2.gz TWMSAHDFCWEJAP-UHFFFAOYSA-N 1 0 421.400 4.469 20 5 HIBDRO Cn1cc(C[NH2+]CCSCc2ccccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237919288 854119093 /nfs/dbraw/zinc/11/90/93/854119093.db2.gz YQKWGCKOVNQGEJ-UHFFFAOYSA-N 1 0 400.479 4.157 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)s1 ZINC000237957768 854125392 /nfs/dbraw/zinc/12/53/92/854125392.db2.gz IYOPJACELDHLDR-UHFFFAOYSA-N 1 0 408.527 4.473 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[C@H](O)C3)o2)c(Br)c1 ZINC000238004742 854131919 /nfs/dbraw/zinc/13/19/19/854131919.db2.gz ORQXRHGGOQPQGU-OCCSQVGLSA-N 1 0 409.280 4.258 20 5 HIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000251592213 854199479 /nfs/dbraw/zinc/19/94/79/854199479.db2.gz FSWSSTYFFAUNTC-IAGOWNOFSA-N 1 0 422.957 4.019 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)C1 ZINC000301113011 854300452 /nfs/dbraw/zinc/30/04/52/854300452.db2.gz SRFGHCISXZQYCK-IYBDPMFKSA-N 1 0 421.501 4.334 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000301372925 854374769 /nfs/dbraw/zinc/37/47/69/854374769.db2.gz QFHQZXCBBOGLAT-UHFFFAOYSA-N 1 0 424.501 4.395 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)[C@H]1c1cccs1 ZINC000301523906 854412290 /nfs/dbraw/zinc/41/22/90/854412290.db2.gz IDFKZTQHGGECDA-NHYWBVRUSA-N 1 0 411.325 4.309 20 5 HIBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000301547985 854417933 /nfs/dbraw/zinc/41/79/33/854417933.db2.gz PTCYFLGNHCPGGI-AEFFLSMTSA-N 1 0 410.474 4.016 20 5 HIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301554494 854419033 /nfs/dbraw/zinc/41/90/33/854419033.db2.gz RVGMPIPCZFGEKR-UHFFFAOYSA-N 1 0 419.323 4.101 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCOCC1)c1ccccc1 ZINC000301581891 854424685 /nfs/dbraw/zinc/42/46/85/854424685.db2.gz PVVHQGQPIXXLSQ-KRWDZBQOSA-N 1 0 406.486 4.455 20 5 HIBDRO O=C(c1ccccc1)c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301753787 854459681 /nfs/dbraw/zinc/45/96/81/854459681.db2.gz CAPZKXNJWAARRK-FPOVZHCZSA-N 1 0 405.498 4.279 20 5 HIBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000301851837 854476749 /nfs/dbraw/zinc/47/67/49/854476749.db2.gz GEMLOCWGZXNBFU-MRXNPFEDSA-N 1 0 424.530 4.447 20 5 HIBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)nc1-c1ccccc1 ZINC000301880968 854483366 /nfs/dbraw/zinc/48/33/66/854483366.db2.gz VSUPIDVZQRKCAE-HNNXBMFYSA-N 1 0 422.514 4.201 20 5 HIBDRO Cc1cc(NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302127676 854533911 /nfs/dbraw/zinc/53/39/11/854533911.db2.gz BHQVDXAINDSOEH-GOSISDBHSA-N 1 0 415.833 4.022 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000302164712 854540369 /nfs/dbraw/zinc/54/03/69/854540369.db2.gz KNCLYLHESHEHBZ-ZDUSSCGKSA-N 1 0 409.533 4.178 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[N@H+](Cc4ccccc4)CC3)o2)c1 ZINC000303246832 854833703 /nfs/dbraw/zinc/83/37/03/854833703.db2.gz LZGDLEICWUSMCI-UHFFFAOYSA-N 1 0 406.486 4.000 20 5 HIBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437350522 862630165 /nfs/dbraw/zinc/63/01/65/862630165.db2.gz VYGMMTTYXSNUSP-UHFFFAOYSA-N 1 0 421.419 4.350 20 5 HIBDRO C[C@@H]1C[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000303747778 855170260 /nfs/dbraw/zinc/17/02/60/855170260.db2.gz KOCBSNDTVZFVPN-YLJYHZDGSA-N 1 0 421.501 4.130 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000303782282 855196074 /nfs/dbraw/zinc/19/60/74/855196074.db2.gz SRCXRQFIITVTDP-FUHWJXTLSA-N 1 0 413.543 4.442 20 5 HIBDRO C[C@H]1C[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000303805252 855209664 /nfs/dbraw/zinc/20/96/64/855209664.db2.gz XSACQITYOSLJID-LAUBAEHRSA-N 1 0 421.501 4.130 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000303844267 855240828 /nfs/dbraw/zinc/24/08/28/855240828.db2.gz IYERCLAQPNFNGR-ZFWWWQNUSA-N 1 0 420.560 4.066 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000303844265 855241186 /nfs/dbraw/zinc/24/11/86/855241186.db2.gz IYERCLAQPNFNGR-HIFRSBDPSA-N 1 0 420.560 4.066 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)Nc1ccccc1[N+](=O)[O-] ZINC000410026823 855785566 /nfs/dbraw/zinc/78/55/66/855785566.db2.gz QQDFEJVVASZZBA-OAHLLOKOSA-N 1 0 414.531 4.138 20 5 HIBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000426415599 856280442 /nfs/dbraw/zinc/28/04/42/856280442.db2.gz DLSGECCZPURCPC-UHFFFAOYSA-N 1 0 423.513 4.122 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000437465978 862828066 /nfs/dbraw/zinc/82/80/66/862828066.db2.gz HRNURRAGCWIWSL-QZTJIDSGSA-N 1 0 413.543 4.198 20 5 HIBDRO C[C@@]1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000428322362 857152709 /nfs/dbraw/zinc/15/27/09/857152709.db2.gz DSFZJUMJJNJUCP-FQEVSTJZSA-N 1 0 421.419 4.398 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(Cn3cncn3)CC2)ccc1Oc1ccc(F)cc1 ZINC000428477047 857216567 /nfs/dbraw/zinc/21/65/67/857216567.db2.gz STLQJSLRDMLEEV-UHFFFAOYSA-N 1 0 411.437 4.030 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(Cn4cncn4)CC3)o2)c(Cl)c1 ZINC000428483364 857221113 /nfs/dbraw/zinc/22/11/13/857221113.db2.gz JMSFUWIXYFJAKA-UHFFFAOYSA-N 1 0 401.854 4.012 20 5 HIBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000428716245 857308140 /nfs/dbraw/zinc/30/81/40/857308140.db2.gz IIHKGNLEFPOSAF-DYESRHJHSA-N 1 0 411.527 4.302 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429218462 857559939 /nfs/dbraw/zinc/55/99/39/857559939.db2.gz VLINCYYOKNFXES-UHFFFAOYSA-N 1 0 402.882 4.160 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000429437787 857668065 /nfs/dbraw/zinc/66/80/65/857668065.db2.gz OXTRQNUPBNHZRO-WBVHZDCISA-N 1 0 421.335 4.119 20 5 HIBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCCCC2 ZINC000429782817 857883964 /nfs/dbraw/zinc/88/39/64/857883964.db2.gz GRHWQUPBGKDTAO-BMGDILEWSA-N 1 0 400.479 4.423 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429863402 857916023 /nfs/dbraw/zinc/91/60/23/857916023.db2.gz CFLDXLJEYOTVFI-UHFFFAOYSA-N 1 0 418.291 4.248 20 5 HIBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143988 858052152 /nfs/dbraw/zinc/05/21/52/858052152.db2.gz CUBDNDRITFNVGW-LJQANCHMSA-N 1 0 420.307 4.145 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000430194566 858076490 /nfs/dbraw/zinc/07/64/90/858076490.db2.gz JWSJJBFLYPAHQZ-INIZCTEOSA-N 1 0 412.421 4.172 20 5 HIBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000430383875 858141355 /nfs/dbraw/zinc/14/13/55/858141355.db2.gz JNRHUYMSDOMDAS-QGZVFWFLSA-N 1 0 405.564 4.433 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000430829112 858320863 /nfs/dbraw/zinc/32/08/63/858320863.db2.gz XKUBQIZWQOKUGS-SIKLNZKXSA-N 1 0 419.569 4.172 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000430999656 858398879 /nfs/dbraw/zinc/39/88/79/858398879.db2.gz MRBHCUSKPVMHDB-HNNXBMFYSA-N 1 0 401.488 4.031 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000431685799 858739898 /nfs/dbraw/zinc/73/98/98/858739898.db2.gz LEBARSDNINBHAZ-KXBFYZLASA-N 1 0 416.547 4.274 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431945870 858882155 /nfs/dbraw/zinc/88/21/55/858882155.db2.gz LFZPHWZFADGZNU-LSDHHAIUSA-N 1 0 424.339 4.084 20 5 HIBDRO C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414839 859154417 /nfs/dbraw/zinc/15/44/17/859154417.db2.gz MNQMXBRJBZMAIM-SJORKVTESA-N 1 0 403.548 4.475 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000432456612 859171923 /nfs/dbraw/zinc/17/19/23/859171923.db2.gz XLFIXGDPCHZTPT-UHFFFAOYSA-N 1 0 424.501 4.123 20 5 HIBDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432814650 859371993 /nfs/dbraw/zinc/37/19/93/859371993.db2.gz WSVVVDXOTLGFHG-HXUWFJFHSA-N 1 0 413.518 4.099 20 5 HIBDRO CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433156618 859545182 /nfs/dbraw/zinc/54/51/82/859545182.db2.gz JSFVRKGJKVQOJW-NRFANRHFSA-N 1 0 411.477 4.351 20 5 HIBDRO COc1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])cc1F ZINC000433175148 859554486 /nfs/dbraw/zinc/55/44/86/859554486.db2.gz NHHWMBNBLUGRAR-UHFFFAOYSA-N 1 0 413.493 4.231 20 5 HIBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)C[C@H](C)O1 ZINC000433178404 859556567 /nfs/dbraw/zinc/55/65/67/859556567.db2.gz RVXPBYOABNBYQJ-VWKPWSFCSA-N 1 0 410.518 4.116 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000433178942 859556862 /nfs/dbraw/zinc/55/68/62/859556862.db2.gz SIPUDTAOJIKGPX-IVZQSRNASA-N 1 0 423.513 4.325 20 5 HIBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433239772 859585393 /nfs/dbraw/zinc/58/53/93/859585393.db2.gz LVYBVFRWHIJZRC-MGPUTAFESA-N 1 0 402.516 4.078 20 5 HIBDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000434992873 860588963 /nfs/dbraw/zinc/58/89/63/860588963.db2.gz VOUSTXBWWOPFOT-QGZVFWFLSA-N 1 0 417.893 4.389 20 5 HIBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435324296 860735734 /nfs/dbraw/zinc/73/57/34/860735734.db2.gz VEHPYIOOLWJQCQ-UHFFFAOYSA-N 1 0 413.316 4.005 20 5 HIBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000435326460 860737196 /nfs/dbraw/zinc/73/71/96/860737196.db2.gz DAFRZTKHTGJLBR-FZMZJTMJSA-N 1 0 413.316 4.002 20 5 HIBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000435326462 860737668 /nfs/dbraw/zinc/73/76/68/860737668.db2.gz DAFRZTKHTGJLBR-RISCZKNCSA-N 1 0 413.316 4.002 20 5 HIBDRO CCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000435720702 861005242 /nfs/dbraw/zinc/00/52/42/861005242.db2.gz ZXQJEZQALRSCLG-IBGZPJMESA-N 1 0 411.502 4.120 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000437837482 863191945 /nfs/dbraw/zinc/19/19/45/863191945.db2.gz IFTGZXMDEKKESQ-GOSISDBHSA-N 1 0 403.526 4.208 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000437979983 863346712 /nfs/dbraw/zinc/34/67/12/863346712.db2.gz ZNHOEEHGQHGKJY-GHTZIAJQSA-N 1 0 422.529 4.322 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437979525 863347125 /nfs/dbraw/zinc/34/71/25/863347125.db2.gz VZSYCORSTZVSAK-UHFFFAOYSA-N 1 0 402.539 4.027 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000439155391 864587354 /nfs/dbraw/zinc/58/73/54/864587354.db2.gz PMMMBFLSTRMZQP-QAPCUYQASA-N 1 0 401.894 4.197 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000439637685 864965415 /nfs/dbraw/zinc/96/54/15/864965415.db2.gz HCEGMGCDWBVOGY-SFHVURJKSA-N 1 0 418.291 4.427 20 5 HIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817285 865133791 /nfs/dbraw/zinc/13/37/91/865133791.db2.gz AWYXEQCLVFGZNZ-JKSUJKDBSA-N 1 0 400.454 4.329 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000439867473 865175215 /nfs/dbraw/zinc/17/52/15/865175215.db2.gz SKEDSYRYOBUDGZ-UHFFFAOYSA-N 1 0 418.519 4.089 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000439910598 865219653 /nfs/dbraw/zinc/21/96/53/865219653.db2.gz HVWKGINBKJWLFF-IAGOWNOFSA-N 1 0 404.511 4.112 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000440544657 865813288 /nfs/dbraw/zinc/81/32/88/865813288.db2.gz HQUFQYANFPMNHM-SFHVURJKSA-N 1 0 415.921 4.161 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-] ZINC000441191106 866263628 /nfs/dbraw/zinc/26/36/28/866263628.db2.gz BAJWNHQUGQAIFA-UHFFFAOYSA-N 1 0 416.481 4.389 20 5 HIBDRO COc1ccc(OCC[NH+]2CCC(Oc3cc(C)ccc3C)CC2)c([N+](=O)[O-])c1 ZINC000441225117 866302828 /nfs/dbraw/zinc/30/28/28/866302828.db2.gz DLMCDFWQTOZKQY-UHFFFAOYSA-N 1 0 400.475 4.142 20 5 HIBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000441234094 866310322 /nfs/dbraw/zinc/31/03/22/866310322.db2.gz PWSIGIMMVGPVIG-SLFFLAALSA-N 1 0 417.893 4.475 20 5 HIBDRO CC1CCC([N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]2CCCO2)CC1 ZINC000441463337 866537540 /nfs/dbraw/zinc/53/75/40/866537540.db2.gz KEWATCRPCPNTTG-KVWWFHCMSA-N 1 0 400.479 4.205 20 5 HIBDRO CCN(C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000441815153 866876666 /nfs/dbraw/zinc/87/66/66/866876666.db2.gz QSZUFWPUPYYEDY-QGZVFWFLSA-N 1 0 403.523 4.008 20 5 HIBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000442635702 867579290 /nfs/dbraw/zinc/57/92/90/867579290.db2.gz QIVOGUFZGCFETG-SJLPKXTDSA-N 1 0 411.527 4.302 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)s1 ZINC000443337991 867912707 /nfs/dbraw/zinc/91/27/07/867912707.db2.gz DDHVXHIWGJTNHS-MRVPVSSYSA-N 1 0 418.700 4.362 20 5 HIBDRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000468238932 882135517 /nfs/dbraw/zinc/13/55/17/882135517.db2.gz ZLYCCUSPIKPVRX-CVEARBPZSA-N 1 0 404.536 4.028 20 5 HIBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000443859127 868391246 /nfs/dbraw/zinc/39/12/46/868391246.db2.gz WVCDUWRVSCXWBP-OAHLLOKOSA-N 1 0 405.376 4.238 20 5 HIBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000443894632 868429894 /nfs/dbraw/zinc/42/98/94/868429894.db2.gz DQERJNKDZZEKTI-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](CO)Cc3cc(F)c(F)c(F)c3)o2)c1 ZINC000443981387 868507491 /nfs/dbraw/zinc/50/74/91/868507491.db2.gz AVGKPDOSBKLESA-AWEZNQCLSA-N 1 0 420.387 4.213 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444009092 868531894 /nfs/dbraw/zinc/53/18/94/868531894.db2.gz IMWPFLVZPSASRH-HXUWFJFHSA-N 1 0 417.553 4.456 20 5 HIBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444259966 868703808 /nfs/dbraw/zinc/70/38/08/868703808.db2.gz MEACJTYMQJYZKH-UHFFFAOYSA-N 1 0 403.457 4.443 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000444729461 868981758 /nfs/dbraw/zinc/98/17/58/868981758.db2.gz DAEJONXRQYOSJM-ZDUSSCGKSA-N 1 0 406.280 4.345 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000444739982 868983117 /nfs/dbraw/zinc/98/31/17/868983117.db2.gz WXYAJCHCRMXMEQ-NWDGAFQWSA-N 1 0 422.279 4.044 20 5 HIBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444745219 868984882 /nfs/dbraw/zinc/98/48/82/868984882.db2.gz SRNRLRNHMUEWEX-AWEZNQCLSA-N 1 0 423.313 4.059 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444757759 868988236 /nfs/dbraw/zinc/98/82/36/868988236.db2.gz AWXITSATLKQUSH-QMMMGPOBSA-N 1 0 418.700 4.362 20 5 HIBDRO CCc1ccc([C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[NH+](C)C)cc1 ZINC000444824032 869034135 /nfs/dbraw/zinc/03/41/35/869034135.db2.gz FOZDYGNHKIRACI-QHCPKHFHSA-N 1 0 413.521 4.276 20 5 HIBDRO CC(C)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+]1CCC(C)CC1 ZINC000444863788 869064431 /nfs/dbraw/zinc/06/44/31/869064431.db2.gz ZPIXEQATHDLPQS-JOCHJYFZSA-N 1 0 405.542 4.168 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444893578 869080956 /nfs/dbraw/zinc/08/09/56/869080956.db2.gz GOIROFUOTDWCJJ-UHFFFAOYSA-N 1 0 406.508 4.041 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177250 869261128 /nfs/dbraw/zinc/26/11/28/869261128.db2.gz GNWYDPPYKXSMDX-MJGOQNOKSA-N 1 0 411.505 4.247 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445989138 869953427 /nfs/dbraw/zinc/95/34/27/869953427.db2.gz ROOCYZQLKUVFOS-FGTMMUONSA-N 1 0 424.419 4.279 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(OC)c1 ZINC000446494671 870408854 /nfs/dbraw/zinc/40/88/54/870408854.db2.gz MXOFGQWBOLJVMP-FQEVSTJZSA-N 1 0 400.479 4.116 20 5 HIBDRO COCC[C@@]1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000447079427 870965912 /nfs/dbraw/zinc/96/59/12/870965912.db2.gz YXGJJQPJHFFDGB-HXUWFJFHSA-N 1 0 406.866 4.326 20 5 HIBDRO O=C(Nc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1)c1cccnc1 ZINC000447527856 871393648 /nfs/dbraw/zinc/39/36/48/871393648.db2.gz GGJDSSJSBUAXPL-QFIPXVFZSA-N 1 0 402.454 4.409 20 5 HIBDRO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)cs1 ZINC000447534821 871399067 /nfs/dbraw/zinc/39/90/67/871399067.db2.gz AFKFEDVHHCEQLX-OAQYLSRUSA-N 1 0 414.575 4.493 20 5 HIBDRO O=C(Nc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1)c1ccncc1 ZINC000447539421 871403447 /nfs/dbraw/zinc/40/34/47/871403447.db2.gz GLVXMCSTMPFLTL-QFIPXVFZSA-N 1 0 402.454 4.409 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2Oc2cccc(F)c2)n1 ZINC000447546569 871416271 /nfs/dbraw/zinc/41/62/71/871416271.db2.gz XBQGLFWVWUIMCO-RBUKOAKNSA-N 1 0 411.437 4.391 20 5 HIBDRO COc1cc(OC)cc([C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000468510536 882513917 /nfs/dbraw/zinc/51/39/17/882513917.db2.gz GZTJJTUZRAXDBF-AOMKIAJQSA-N 1 0 424.501 4.046 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2csc(CCc3ccccc3)n2)n1 ZINC000447589085 871493470 /nfs/dbraw/zinc/49/34/70/871493470.db2.gz WWHDNKMMKYYAEP-OALUTQOASA-N 1 0 411.531 4.307 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000447721800 871665197 /nfs/dbraw/zinc/66/51/97/871665197.db2.gz HDSJZMJYNPZXEF-SCLBCKFNSA-N 1 0 401.488 4.099 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447805397 871740244 /nfs/dbraw/zinc/74/02/44/871740244.db2.gz IXSZCIKAXCDZJP-LJQANCHMSA-N 1 0 424.545 4.065 20 5 HIBDRO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460363328 872994943 /nfs/dbraw/zinc/99/49/43/872994943.db2.gz NTIPPEOAQFHYAY-ZDUSSCGKSA-N 1 0 401.417 4.023 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000468595623 882688954 /nfs/dbraw/zinc/68/89/54/882688954.db2.gz AISLRYJBMWQYNB-ILCZHQDMSA-N 1 0 407.449 4.000 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000468641640 882776922 /nfs/dbraw/zinc/77/69/22/882776922.db2.gz LVIAXJPHMGRQNW-ONLGVJTGSA-N 1 0 423.513 4.037 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448649 874507593 /nfs/dbraw/zinc/50/75/93/874507593.db2.gz KVYCOEQGAGSJPT-MJGOQNOKSA-N 1 0 421.522 4.404 20 5 HIBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000461470547 874526320 /nfs/dbraw/zinc/52/63/20/874526320.db2.gz HFYOVUNPQVYHSX-KRWDZBQOSA-N 1 0 401.894 4.280 20 5 HIBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000461474015 874529505 /nfs/dbraw/zinc/52/95/05/874529505.db2.gz YAAMZKLICPLOCJ-GOSISDBHSA-N 1 0 406.486 4.108 20 5 HIBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461950099 875080899 /nfs/dbraw/zinc/08/08/99/875080899.db2.gz SFLWXJPQAHLUDU-AEFFLSMTSA-N 1 0 401.429 4.102 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462158497 875254786 /nfs/dbraw/zinc/25/47/86/875254786.db2.gz LXZDPGYXLJSYMQ-JXFKEZNVSA-N 1 0 413.543 4.346 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462545946 875669452 /nfs/dbraw/zinc/66/94/52/875669452.db2.gz CZGOAYJADSQTRG-DENIHFKCSA-N 1 0 412.486 4.230 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000462557345 875683003 /nfs/dbraw/zinc/68/30/03/875683003.db2.gz UNCDZDHNMRYKOG-NZQKXSOJSA-N 1 0 418.497 4.495 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000462746349 875815367 /nfs/dbraw/zinc/81/53/67/875815367.db2.gz QKMQJVGIYWUNON-VLCRHTCISA-N 1 0 417.465 4.101 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000462766604 875827409 /nfs/dbraw/zinc/82/74/09/875827409.db2.gz XZWYOTLAVGBUOY-OAQYLSRUSA-N 1 0 401.551 4.278 20 5 HIBDRO C[NH+](C)CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000462824109 875862237 /nfs/dbraw/zinc/86/22/37/875862237.db2.gz ASHCLFYRZFQTIG-UHFFFAOYSA-N 1 0 408.296 4.300 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1cccs1 ZINC000462882206 875910123 /nfs/dbraw/zinc/91/01/23/875910123.db2.gz SDQYKTBISBQXSO-JLTOFOAXSA-N 1 0 400.504 4.036 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000462993590 876007933 /nfs/dbraw/zinc/00/79/33/876007933.db2.gz SWCWZQXXYGORQL-HLAWJBBLSA-N 1 0 401.551 4.277 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462997049 876011404 /nfs/dbraw/zinc/01/14/04/876011404.db2.gz PGRZUMBSACSHHO-SFTDATJTSA-N 1 0 401.551 4.278 20 5 HIBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cccc21 ZINC000468949128 883015401 /nfs/dbraw/zinc/01/54/01/883015401.db2.gz HZNOHQOPTZZQRE-GOSISDBHSA-N 1 0 401.438 4.035 20 5 HIBDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)c(C)c2)CC1 ZINC000463954955 877076883 /nfs/dbraw/zinc/07/68/83/877076883.db2.gz LTMROWBZJNFSIA-UHFFFAOYSA-N 1 0 411.506 4.306 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[NH+]1CCCC1 ZINC000463971528 877097645 /nfs/dbraw/zinc/09/76/45/877097645.db2.gz CUOAGKAUZWWIJE-HXUWFJFHSA-N 1 0 412.490 4.179 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738690 877974010 /nfs/dbraw/zinc/97/40/10/877974010.db2.gz SZJNSCXXFKFKCG-HUUCEWRRSA-N 1 0 401.429 4.169 20 5 HIBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Cl)cc1F ZINC000464769784 878013665 /nfs/dbraw/zinc/01/36/65/878013665.db2.gz AFUQTDLUNJPCFK-UHFFFAOYSA-N 1 0 421.856 4.259 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000464775952 878019788 /nfs/dbraw/zinc/01/97/88/878019788.db2.gz MWENJINUCCEKIO-XXBNENTESA-N 1 0 424.545 4.247 20 5 HIBDRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779242 878024965 /nfs/dbraw/zinc/02/49/65/878024965.db2.gz UIOROIHXWWPLNW-HOCLYGCPSA-N 1 0 420.560 4.263 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464845243 878118051 /nfs/dbraw/zinc/11/80/51/878118051.db2.gz LWNHUXKSEGFCSK-QZTJIDSGSA-N 1 0 421.501 4.302 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464845245 878118503 /nfs/dbraw/zinc/11/85/03/878118503.db2.gz LWNHUXKSEGFCSK-ZWKOTPCHSA-N 1 0 421.501 4.302 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1 ZINC000464985876 878334251 /nfs/dbraw/zinc/33/42/51/878334251.db2.gz QXBWYRSSORGLPZ-YJBOKZPZSA-N 1 0 405.907 4.413 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1 ZINC000464985874 878335806 /nfs/dbraw/zinc/33/58/06/878335806.db2.gz QXBWYRSSORGLPZ-MAUKXSAKSA-N 1 0 405.907 4.413 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000465180947 878570605 /nfs/dbraw/zinc/57/06/05/878570605.db2.gz BQOVZXDMLIHONG-HNNXBMFYSA-N 1 0 408.458 4.049 20 5 HIBDRO CO[C@H](C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(C)C ZINC000465406920 878841517 /nfs/dbraw/zinc/84/15/17/878841517.db2.gz OJJIORYHFIPJRN-MOPGFXCFSA-N 1 0 405.882 4.189 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C3CCN(c4nccs4)CC3)o2)c([N+](=O)[O-])c1 ZINC000466414877 880183232 /nfs/dbraw/zinc/18/32/32/880183232.db2.gz CRIGZGJFWMIBEY-UHFFFAOYSA-N 1 0 414.487 4.079 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000503495400 912542790 /nfs/dbraw/zinc/54/27/90/912542790.db2.gz PIBGUJHRYZREON-SFHVURJKSA-N 1 0 417.893 4.081 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000503495228 912543191 /nfs/dbraw/zinc/54/31/91/912543191.db2.gz UKHUVIJMOLZOOM-QGZVFWFLSA-N 1 0 401.850 4.383 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cn3c(n2)SCC3)ccc1Oc1ccc(F)cc1 ZINC000466455288 880235118 /nfs/dbraw/zinc/23/51/18/880235118.db2.gz MRGUHJDQALWQRO-UHFFFAOYSA-N 1 0 414.462 4.161 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000466561313 880336271 /nfs/dbraw/zinc/33/62/71/880336271.db2.gz DJMHJOPFHUFNKK-UHFFFAOYSA-N 1 0 404.898 4.089 20 5 HIBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000466816939 880590570 /nfs/dbraw/zinc/59/05/70/880590570.db2.gz PMRRUDBMNHREJW-CQSZACIVSA-N 1 0 419.934 4.471 20 5 HIBDRO C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000467001594 880810471 /nfs/dbraw/zinc/81/04/71/880810471.db2.gz IPGMVNFHXGQQQP-BBRMVZONSA-N 1 0 407.392 4.065 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)CCC2 ZINC000467409406 881194141 /nfs/dbraw/zinc/19/41/41/881194141.db2.gz WYAFEEHIOSYOJA-HXUWFJFHSA-N 1 0 401.894 4.252 20 5 HIBDRO Cc1c(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000469467375 883687763 /nfs/dbraw/zinc/68/77/63/883687763.db2.gz VKBRLCONAGCRBN-KRWDZBQOSA-N 1 0 410.396 4.346 20 5 HIBDRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469757567 883922186 /nfs/dbraw/zinc/92/21/86/883922186.db2.gz SCRSJFSHCHQXLB-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000470177840 884461690 /nfs/dbraw/zinc/46/16/90/884461690.db2.gz UTYJDNWDODCHHH-SAPNQHFASA-N 1 0 413.543 4.131 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470293954 884667897 /nfs/dbraw/zinc/66/78/97/884667897.db2.gz WVQGIWDZLIYHMD-SFHVURJKSA-N 1 0 424.423 4.058 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)c([N+](=O)[O-])c1 ZINC000473115476 887912470 /nfs/dbraw/zinc/91/24/70/887912470.db2.gz BJQQGMZDBWNGCM-QHCPKHFHSA-N 1 0 406.438 4.495 20 5 HIBDRO CCOc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473501331 888227518 /nfs/dbraw/zinc/22/75/18/888227518.db2.gz CEOXUTUQAPILMY-XMMPIXPASA-N 1 0 423.513 4.122 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000474349694 889227594 /nfs/dbraw/zinc/22/75/94/889227594.db2.gz ABBBOXMLRUCEPI-KPFBPEDLSA-N 1 0 418.877 4.287 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1[N+](=O)[O-] ZINC000474364116 889243122 /nfs/dbraw/zinc/24/31/22/889243122.db2.gz TVUUEQAIXONYRZ-JOCHJYFZSA-N 1 0 416.449 4.307 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2cccc(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474373880 889251652 /nfs/dbraw/zinc/25/16/52/889251652.db2.gz NRKANWZBRJEKMU-NRFANRHFSA-N 1 0 400.475 4.332 20 5 HIBDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 ZINC000475219442 890088644 /nfs/dbraw/zinc/08/86/44/890088644.db2.gz JQALGCHNQZQDQZ-UHFFFAOYSA-N 1 0 422.553 4.468 20 5 HIBDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)c(C)c2)CC1 ZINC000475639745 890582745 /nfs/dbraw/zinc/58/27/45/890582745.db2.gz PJAGRINZIOZVHB-UHFFFAOYSA-N 1 0 411.506 4.306 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475720871 890658883 /nfs/dbraw/zinc/65/88/83/890658883.db2.gz YLIGPLBLNRDSOK-UHFFFAOYSA-N 1 0 411.380 4.265 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)cc1[N+](=O)[O-] ZINC000504899469 913630673 /nfs/dbraw/zinc/63/06/73/913630673.db2.gz HHTPKVRELXSKFL-INIZCTEOSA-N 1 0 416.522 4.161 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2cccc(C)c2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504906352 913641118 /nfs/dbraw/zinc/64/11/18/913641118.db2.gz WXURVKKXJHSNOT-AVRDEDQJSA-N 1 0 413.518 4.026 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000504919982 913656999 /nfs/dbraw/zinc/65/69/99/913656999.db2.gz MFVRYGFZRLMZDJ-MOPGFXCFSA-N 1 0 413.543 4.419 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477461196 892427878 /nfs/dbraw/zinc/42/78/78/892427878.db2.gz AJAFCAPBWJVXMQ-UHFFFAOYSA-N 1 0 423.391 4.230 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000504931491 913672827 /nfs/dbraw/zinc/67/28/27/913672827.db2.gz YISFCURDCUFUMY-CYBMUJFWSA-N 1 0 421.881 4.335 20 5 HIBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000477929441 893018244 /nfs/dbraw/zinc/01/82/44/893018244.db2.gz HVSHQSHRPCHLQI-NNWRFLSQSA-N 1 0 407.514 4.005 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478332763 893567491 /nfs/dbraw/zinc/56/74/91/893567491.db2.gz CPOXDAQZUKTKJA-SFHVURJKSA-N 1 0 401.551 4.376 20 5 HIBDRO Cc1c(CNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479727424 895025800 /nfs/dbraw/zinc/02/58/00/895025800.db2.gz BSFJBLWAXXECDU-PXNSSMCTSA-N 1 0 410.518 4.003 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)c(F)c1 ZINC000479926569 895274448 /nfs/dbraw/zinc/27/44/48/895274448.db2.gz PLZCSCOWGOAABI-ZDUSSCGKSA-N 1 0 408.271 4.113 20 5 HIBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000479958673 895311744 /nfs/dbraw/zinc/31/17/44/895311744.db2.gz OQLHGEHGDITTPQ-QGZVFWFLSA-N 1 0 413.543 4.468 20 5 HIBDRO CCC(=O)c1ccc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000480019922 895370097 /nfs/dbraw/zinc/37/00/97/895370097.db2.gz RBAFIUCSHJXNRY-KRWDZBQOSA-N 1 0 411.502 4.499 20 5 HIBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000480045818 895393760 /nfs/dbraw/zinc/39/37/60/895393760.db2.gz PNPDWUXYVDSGHY-UHFFFAOYSA-N 1 0 419.569 4.316 20 5 HIBDRO COC(=O)c1csc(-c2cccc(C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])c2)n1 ZINC000480493813 895866334 /nfs/dbraw/zinc/86/63/34/895866334.db2.gz FOTKECFVCJPNRW-UITAMQMPSA-N 1 0 409.467 4.308 20 5 HIBDRO CCC[C@@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000480901762 896258137 /nfs/dbraw/zinc/25/81/37/896258137.db2.gz QZPMDNVFIUILTJ-OAQYLSRUSA-N 1 0 407.474 4.061 20 5 HIBDRO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000481007038 896338830 /nfs/dbraw/zinc/33/88/30/896338830.db2.gz YETWMWQKNRFSII-HRAATJIYSA-N 1 0 414.506 4.045 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481176892 896511496 /nfs/dbraw/zinc/51/14/96/896511496.db2.gz OYFKIXRSDKKHIP-JTSKRJEESA-N 1 0 406.486 4.250 20 5 HIBDRO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481182773 896523697 /nfs/dbraw/zinc/52/36/97/896523697.db2.gz QCYGSEMQWHWFLO-ZDUSSCGKSA-N 1 0 401.417 4.023 20 5 HIBDRO CC(C)C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCc2cccnc21 ZINC000481413421 896818550 /nfs/dbraw/zinc/81/85/50/896818550.db2.gz KSDVVBIKLUALKQ-IBGZPJMESA-N 1 0 424.501 4.323 20 5 HIBDRO Cc1sc(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cc1[N+](=O)[O-] ZINC000481638759 897022670 /nfs/dbraw/zinc/02/26/70/897022670.db2.gz AAKKFPBZBDUQDO-UHFFFAOYSA-N 1 0 402.520 4.056 20 5 HIBDRO CNC(=O)C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000481816635 897189661 /nfs/dbraw/zinc/18/96/61/897189661.db2.gz PPUHKYXKLJEMOF-FQEVSTJZSA-N 1 0 423.444 4.493 20 5 HIBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481850218 897218097 /nfs/dbraw/zinc/21/80/97/897218097.db2.gz VEJVJNSRMUENRA-FXAWDEMLSA-N 1 0 413.905 4.375 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(N3CCSCC3)CCCCC2)c1 ZINC000482055435 897483402 /nfs/dbraw/zinc/48/34/02/897483402.db2.gz YFGBHQCOFALPLG-UHFFFAOYSA-N 1 0 415.506 4.038 20 5 HIBDRO CCC[C@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482256650 897738009 /nfs/dbraw/zinc/73/80/09/897738009.db2.gz NFEITABSEYCBEG-OALUTQOASA-N 1 0 401.532 4.451 20 5 HIBDRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482281420 897775022 /nfs/dbraw/zinc/77/50/22/897775022.db2.gz DVUXMTWAMZZTEF-ZEYPLWLESA-N 1 0 422.529 4.352 20 5 HIBDRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000482501245 898082418 /nfs/dbraw/zinc/08/24/18/898082418.db2.gz IZXVOZHAUHEYGS-HNNXBMFYSA-N 1 0 415.465 4.263 20 5 HIBDRO COCC1=CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000482516328 898102407 /nfs/dbraw/zinc/10/24/07/898102407.db2.gz ZSSBUFPTSRLCMM-UHFFFAOYSA-N 1 0 404.470 4.226 20 5 HIBDRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000482860921 898472467 /nfs/dbraw/zinc/47/24/67/898472467.db2.gz BPEFXTFJGKSPJJ-INIZCTEOSA-N 1 0 402.564 4.485 20 5 HIBDRO Cc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000482906457 898526414 /nfs/dbraw/zinc/52/64/14/898526414.db2.gz ZEZUSMKYGHZZPE-UHFFFAOYSA-N 1 0 421.501 4.227 20 5 HIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cn1 ZINC000482985326 898624153 /nfs/dbraw/zinc/62/41/53/898624153.db2.gz SAGOWPFWJZDWNS-GFCCVEGCSA-N 1 0 417.263 4.301 20 5 HIBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC[C@@H]21 ZINC000483165489 898834859 /nfs/dbraw/zinc/83/48/59/898834859.db2.gz CGLPKYXEFVZCJM-IERDGZPVSA-N 1 0 410.474 4.335 20 5 HIBDRO C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H](c1ccccc1)[NH+](C)C ZINC000505592068 914299595 /nfs/dbraw/zinc/29/95/95/914299595.db2.gz QSVNECRZIPSJFJ-NPMXOYFQSA-N 1 0 417.484 4.242 20 5 HIBDRO C[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000483331581 898959989 /nfs/dbraw/zinc/95/99/89/898959989.db2.gz SJDTZTCBNAEYLE-ZDUSSCGKSA-N 1 0 422.420 4.035 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000483682935 899341736 /nfs/dbraw/zinc/34/17/36/899341736.db2.gz MSOPGEPRCQCNDW-HSZRJFAPSA-N 1 0 422.529 4.179 20 5 HIBDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484655018 900100020 /nfs/dbraw/zinc/10/00/20/900100020.db2.gz YJRJCFYKEMBOSG-AZUAARDMSA-N 1 0 408.458 4.433 20 5 HIBDRO C[N@H+](Cc1ccccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCCCC1 ZINC000484762809 900177668 /nfs/dbraw/zinc/17/76/68/900177668.db2.gz NEMVHLBIIFWUKH-UHFFFAOYSA-N 1 0 411.458 4.340 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000484908744 900286485 /nfs/dbraw/zinc/28/64/85/900286485.db2.gz VAODXTKTCVLRBZ-UHFFFAOYSA-N 1 0 417.531 4.097 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CCC4(CCC[N@H+]4C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000485198233 900491108 /nfs/dbraw/zinc/49/11/08/900491108.db2.gz PXSDGZKYVQGKFI-UHFFFAOYSA-N 1 0 408.502 4.220 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[N@@H+]1C ZINC000485385585 900682239 /nfs/dbraw/zinc/68/22/39/900682239.db2.gz RPKBNFRIRRDSOX-ZBFHGGJFSA-N 1 0 416.909 4.073 20 5 HIBDRO CSc1cccc(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000485757899 901015123 /nfs/dbraw/zinc/01/51/23/901015123.db2.gz JXKVTLOMSQRPLB-IBGZPJMESA-N 1 0 413.543 4.129 20 5 HIBDRO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978121 901194746 /nfs/dbraw/zinc/19/47/46/901194746.db2.gz VOCDUOFXMULUFX-SJCJKPOMSA-N 1 0 407.392 4.296 20 5 HIBDRO C[C@@H]([NH2+]C1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1)c1ccccc1 ZINC000486242674 901425690 /nfs/dbraw/zinc/42/56/90/901425690.db2.gz IJPMXJCCBPTHCX-OAHLLOKOSA-N 1 0 417.456 4.195 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000486802447 901863110 /nfs/dbraw/zinc/86/31/10/901863110.db2.gz NBHMGLVOVLDKPO-WOJBJXKFSA-N 1 0 400.475 4.230 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000505924347 914573231 /nfs/dbraw/zinc/57/32/31/914573231.db2.gz FSIPWAIQSVEINB-IKGGRYGDSA-N 1 0 423.941 4.129 20 5 HIBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487268062 902128631 /nfs/dbraw/zinc/12/86/31/902128631.db2.gz LTAXHKJZBSIENV-DOTOQJQBSA-N 1 0 409.511 4.450 20 5 HIBDRO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000487630497 902260939 /nfs/dbraw/zinc/26/09/39/902260939.db2.gz OQKPLTZNPOITNM-IBGZPJMESA-N 1 0 411.527 4.446 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487869184 902416312 /nfs/dbraw/zinc/41/63/12/902416312.db2.gz DHYIXISSRFWQOK-IAGOWNOFSA-N 1 0 423.941 4.130 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000487915470 902449386 /nfs/dbraw/zinc/44/93/86/902449386.db2.gz KVDBGIJPMSDSIH-HZPDHXFCSA-N 1 0 406.442 4.460 20 5 HIBDRO C[C@H]([NH2+][C@@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489039798 903146120 /nfs/dbraw/zinc/14/61/20/903146120.db2.gz SZTIOLFQGAIENA-LIRRHRJNSA-N 1 0 403.454 4.144 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000489530490 903441162 /nfs/dbraw/zinc/44/11/62/903441162.db2.gz DNVFGPYHDLVNFN-MJGOQNOKSA-N 1 0 410.518 4.182 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000489574015 903472794 /nfs/dbraw/zinc/47/27/94/903472794.db2.gz RMAFVSOLBZFWPW-KNBMTAEXSA-N 1 0 416.547 4.408 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000489592941 903485053 /nfs/dbraw/zinc/48/50/53/903485053.db2.gz BKYYCLIQDNABOJ-KRWDZBQOSA-N 1 0 411.527 4.304 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000489617328 903499323 /nfs/dbraw/zinc/49/93/23/903499323.db2.gz AVMIGVKEASIPHG-QFIPXVFZSA-N 1 0 408.502 4.044 20 5 HIBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000489617773 903500924 /nfs/dbraw/zinc/50/09/24/903500924.db2.gz CDJYVEUZTKFGGW-UHFFFAOYSA-N 1 0 413.543 4.379 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000489916890 903672506 /nfs/dbraw/zinc/67/25/06/903672506.db2.gz WESLUFBIUAIWKG-MAUKXSAKSA-N 1 0 402.520 4.162 20 5 HIBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490049005 903741689 /nfs/dbraw/zinc/74/16/89/903741689.db2.gz VAXIGAWFTCAUJD-LJQANCHMSA-N 1 0 405.882 4.205 20 5 HIBDRO O=C(c1ccoc1)N1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490123900 903780409 /nfs/dbraw/zinc/78/04/09/903780409.db2.gz GQKQHOSKFMMACQ-QFIPXVFZSA-N 1 0 405.454 4.172 20 5 HIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342796 903935761 /nfs/dbraw/zinc/93/57/61/903935761.db2.gz VOPJFRRTFNDWFS-KGLIPLIRSA-N 1 0 404.479 4.353 20 5 HIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380481 903972425 /nfs/dbraw/zinc/97/24/25/903972425.db2.gz YPBUPMUHSCMOFR-QZTJIDSGSA-N 1 0 414.449 4.027 20 5 HIBDRO Cn1cc(C[N@H+](C)Cc2ccc(Br)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506098129 914802249 /nfs/dbraw/zinc/80/22/49/914802249.db2.gz FGGCRCSHMSPIRH-UHFFFAOYSA-N 1 0 421.320 4.451 20 5 HIBDRO C[C@H](OC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830262 904274219 /nfs/dbraw/zinc/27/42/19/904274219.db2.gz WNSNEIVCVFASNW-BTYIYWSLSA-N 1 0 404.894 4.351 20 5 HIBDRO Cc1cc([C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)ccc1F ZINC000491135764 904448031 /nfs/dbraw/zinc/44/80/31/904448031.db2.gz ZAUJQGHLCZDSPO-OAQYLSRUSA-N 1 0 411.433 4.313 20 5 HIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1N1CCOCC1 ZINC000506140657 914820496 /nfs/dbraw/zinc/82/04/96/914820496.db2.gz GORONRUHTFUAOG-UHFFFAOYSA-N 1 0 407.470 4.323 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000491423155 904587865 /nfs/dbraw/zinc/58/78/65/904587865.db2.gz LEDMVNOFPWLZPE-NQIIRXRSSA-N 1 0 422.529 4.322 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000491422865 904588202 /nfs/dbraw/zinc/58/82/02/904588202.db2.gz JXPROEYJPWGSFH-VWLOTQADSA-N 1 0 417.509 4.306 20 5 HIBDRO Cn1cc(C[N@H+](C)CCOc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506148638 914825261 /nfs/dbraw/zinc/82/52/61/914825261.db2.gz SEOSIAAAXWGZEV-UHFFFAOYSA-N 1 0 400.866 4.160 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000493074854 905010869 /nfs/dbraw/zinc/01/08/69/905010869.db2.gz DYNGXAMPOALYAC-OAHLLOKOSA-N 1 0 420.460 4.016 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000512399620 921135789 /nfs/dbraw/zinc/13/57/89/921135789.db2.gz VMBDVCKGNLJNHT-AZUAARDMSA-N 1 0 410.518 4.037 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427040 921155357 /nfs/dbraw/zinc/15/53/57/921155357.db2.gz KDVNNYPEWTTXQW-AFCDSYGPSA-N 1 0 412.465 4.281 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494494785 905782461 /nfs/dbraw/zinc/78/24/61/905782461.db2.gz LTBRADRYKUDAGH-FXAWDEMLSA-N 1 0 403.866 4.005 20 5 HIBDRO CCOc1cc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c([N+](=O)[O-])cc1OC ZINC000494537132 905818848 /nfs/dbraw/zinc/81/88/48/905818848.db2.gz SIUADXLDMQLUIN-UHFFFAOYSA-N 1 0 413.474 4.226 20 5 HIBDRO C[N@H+](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000494865896 906049431 /nfs/dbraw/zinc/04/94/31/906049431.db2.gz VCAMRPIZBSYEFU-UHFFFAOYSA-N 1 0 411.502 4.168 20 5 HIBDRO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000495363028 906403175 /nfs/dbraw/zinc/40/31/75/906403175.db2.gz FCPFFEBXNWWKRO-UHFFFAOYSA-N 1 0 408.424 4.152 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497093081 906803668 /nfs/dbraw/zinc/80/36/68/906803668.db2.gz ALUUMPVMWKUAQE-PZJWPPBQSA-N 1 0 414.502 4.165 20 5 HIBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497101894 906805046 /nfs/dbraw/zinc/80/50/46/906805046.db2.gz ZFYDZCPXJPCKOC-CTNGQTDRSA-N 1 0 414.502 4.165 20 5 HIBDRO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000512646550 921273426 /nfs/dbraw/zinc/27/34/26/921273426.db2.gz BCGRYLYQIQLNBQ-LILXYRQWSA-N 1 0 410.518 4.011 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498128864 907647943 /nfs/dbraw/zinc/64/79/43/907647943.db2.gz FQBXXEIKLQAIRG-IEBWSBKVSA-N 1 0 418.497 4.268 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000498350027 907851999 /nfs/dbraw/zinc/85/19/99/907851999.db2.gz OVMVFHPYXDUSGV-RHSMWYFYSA-N 1 0 402.344 4.318 20 5 HIBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498356187 907855610 /nfs/dbraw/zinc/85/56/10/907855610.db2.gz ZJSNUNZNRCNIFS-DLBZAZTESA-N 1 0 403.866 4.045 20 5 HIBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498356192 907855877 /nfs/dbraw/zinc/85/58/77/907855877.db2.gz ZJSNUNZNRCNIFS-SJORKVTESA-N 1 0 403.866 4.045 20 5 HIBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498362323 907858195 /nfs/dbraw/zinc/85/81/95/907858195.db2.gz GBDNSZLSSZYZSD-ZBFHGGJFSA-N 1 0 403.866 4.045 20 5 HIBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498383294 907871804 /nfs/dbraw/zinc/87/18/04/907871804.db2.gz PFMYHCOCGUAJIV-GOEBONIOSA-N 1 0 421.419 4.254 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000498401269 907882224 /nfs/dbraw/zinc/88/22/24/907882224.db2.gz QORQQGPAMXADJT-HZPDHXFCSA-N 1 0 416.547 4.206 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000498464204 907929328 /nfs/dbraw/zinc/92/93/28/907929328.db2.gz YUHDYUZPDMOLTP-SFHVURJKSA-N 1 0 420.513 4.240 20 5 HIBDRO CC[N@H+](C)CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000498741067 908170522 /nfs/dbraw/zinc/17/05/22/908170522.db2.gz WOZRONBSOXLTFT-SAPNQHFASA-N 1 0 424.526 4.203 20 5 HIBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512895945 921388785 /nfs/dbraw/zinc/38/87/85/921388785.db2.gz RXZLFNYTXJMCMM-MJGOQNOKSA-N 1 0 406.486 4.210 20 5 HIBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000499272772 908650800 /nfs/dbraw/zinc/65/08/00/908650800.db2.gz HKJMMTUYFKBGKA-UHFFFAOYSA-N 1 0 403.870 4.024 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@@H](C)C(=O)NCCF)cc2[N+](=O)[O-])c1 ZINC000500418057 909845173 /nfs/dbraw/zinc/84/51/73/909845173.db2.gz XPBBDMWXQYURSN-INIZCTEOSA-N 1 0 417.481 4.383 20 5 HIBDRO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N[C@H]1CCOc2ccccc21 ZINC000500463747 909873101 /nfs/dbraw/zinc/87/31/01/909873101.db2.gz UVCTUPVNUKCJDL-SFHVURJKSA-N 1 0 423.494 4.053 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500846296 910120078 /nfs/dbraw/zinc/12/00/78/910120078.db2.gz YZDSQJYFKDOWFC-YJBOKZPZSA-N 1 0 422.510 4.284 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNC3CC[NH+](CC4CCCC4)CC3)cs2)c1 ZINC000501238204 910396072 /nfs/dbraw/zinc/39/60/72/910396072.db2.gz YWTZJTZUPFZZAE-UHFFFAOYSA-N 1 0 400.548 4.463 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000513145454 921583169 /nfs/dbraw/zinc/58/31/69/921583169.db2.gz UCMTVZZZUQUEFT-YJJAZYOBSA-N 1 0 405.539 4.085 20 5 HIBDRO Cc1cccc2nc(C3CC[NH+](CCC(=O)Nc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000501949527 910935637 /nfs/dbraw/zinc/93/56/37/910935637.db2.gz LCTFBHMSOCQADI-UHFFFAOYSA-N 1 0 408.458 4.253 20 5 HIBDRO C[C@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCOC1 ZINC000502620100 911646383 /nfs/dbraw/zinc/64/63/83/911646383.db2.gz GMBHCHBHHMJJOZ-YYFZDKIDSA-N 1 0 417.893 4.333 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c1 ZINC000502714458 911747757 /nfs/dbraw/zinc/74/77/57/911747757.db2.gz VNRAQHGMSUTFQH-UHFFFAOYSA-N 1 0 417.556 4.426 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)CC2)CC1 ZINC000502791958 911813384 /nfs/dbraw/zinc/81/33/84/911813384.db2.gz UHPJLVNJNAFLRV-UHFFFAOYSA-N 1 0 414.550 4.312 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000502823401 911838147 /nfs/dbraw/zinc/83/81/47/911838147.db2.gz AJNARPUBZMPTCJ-UHFFFAOYSA-N 1 0 413.543 4.275 20 5 HIBDRO COc1cc(C[NH2+]CCc2cccc3[nH]ccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000503066425 912031958 /nfs/dbraw/zinc/03/19/58/912031958.db2.gz YIIBKLLASRSVAW-UHFFFAOYSA-N 1 0 405.401 4.061 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1)c1ccc(F)cc1 ZINC000506496587 915111159 /nfs/dbraw/zinc/11/11/59/915111159.db2.gz SLEMENBQNQPPCL-UHFFFAOYSA-N 1 0 423.444 4.388 20 5 HIBDRO C[NH+](C)Cc1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000506774922 915488395 /nfs/dbraw/zinc/48/83/95/915488395.db2.gz DHRBKRAMXIJHMQ-UHFFFAOYSA-N 1 0 410.396 4.116 20 5 HIBDRO CCOC(=O)CC1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000507369351 916126677 /nfs/dbraw/zinc/12/66/77/916126677.db2.gz DLYRFEFZZJWQRV-UHFFFAOYSA-N 1 0 402.447 4.029 20 5 HIBDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000507449719 916219568 /nfs/dbraw/zinc/21/95/68/916219568.db2.gz IMERXZDUSTZVMS-CVEARBPZSA-N 1 0 417.531 4.320 20 5 HIBDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507489041 916256989 /nfs/dbraw/zinc/25/69/89/916256989.db2.gz CPNMCQVHNZJKEB-GJZGRUSLSA-N 1 0 403.504 4.011 20 5 HIBDRO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000507554367 916310127 /nfs/dbraw/zinc/31/01/27/916310127.db2.gz UXZDGQQUGITOPY-KGLIPLIRSA-N 1 0 403.504 4.393 20 5 HIBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000507565380 916320775 /nfs/dbraw/zinc/32/07/75/916320775.db2.gz JOIBOIXBDWEUCS-UHFFFAOYSA-N 1 0 418.457 4.100 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000507636472 916395313 /nfs/dbraw/zinc/39/53/13/916395313.db2.gz OQJGPOMZAPXYAM-KRWDZBQOSA-N 1 0 421.501 4.185 20 5 HIBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000507931757 916805234 /nfs/dbraw/zinc/80/52/34/916805234.db2.gz YFHRHFKBBDDIIB-HZPDHXFCSA-N 1 0 401.532 4.447 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507943155 916809944 /nfs/dbraw/zinc/80/99/44/916809944.db2.gz YHOZGEQHWRADCV-HXUWFJFHSA-N 1 0 420.465 4.276 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1O ZINC000508076056 916895989 /nfs/dbraw/zinc/89/59/89/916895989.db2.gz AOKMTGIEVMPBRI-UHFFFAOYSA-N 1 0 424.453 4.186 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1SC ZINC000508300445 917110031 /nfs/dbraw/zinc/11/00/31/917110031.db2.gz OXVNHHIXYPHBQJ-UHFFFAOYSA-N 1 0 421.563 4.101 20 5 HIBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508582823 917352837 /nfs/dbraw/zinc/35/28/37/917352837.db2.gz NYXCZPRVBLKCRE-HIFRSBDPSA-N 1 0 403.866 4.126 20 5 HIBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508582825 917353293 /nfs/dbraw/zinc/35/32/93/917353293.db2.gz NYXCZPRVBLKCRE-ZFWWWQNUSA-N 1 0 403.866 4.126 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](Cc4nccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000508681784 917445822 /nfs/dbraw/zinc/44/58/22/917445822.db2.gz VZZLMASPPLRRNN-MRXNPFEDSA-N 1 0 410.474 4.052 20 5 HIBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cccc21 ZINC000509365996 918030581 /nfs/dbraw/zinc/03/05/81/918030581.db2.gz MCMLGLZHHIPQMT-MRXNPFEDSA-N 1 0 409.364 4.251 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000509531306 918179746 /nfs/dbraw/zinc/17/97/46/918179746.db2.gz CKFOBBXLOUTAJN-OAQYLSRUSA-N 1 0 408.502 4.192 20 5 HIBDRO COc1cc(C[NH2+]CC2(c3ccc(Br)cc3)CCC2)c([N+](=O)[O-])cc1O ZINC000509578758 918227514 /nfs/dbraw/zinc/22/75/14/918227514.db2.gz JZAFUZKLSAJYET-UHFFFAOYSA-N 1 0 421.291 4.283 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509594157 918243048 /nfs/dbraw/zinc/24/30/48/918243048.db2.gz SEXWAYICGPRDDZ-HXUWFJFHSA-N 1 0 420.465 4.276 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@@H+]1Cc1ccccc1 ZINC000510111818 918672602 /nfs/dbraw/zinc/67/26/02/918672602.db2.gz FMESCZDJZYSSRD-FUHWJXTLSA-N 1 0 407.470 4.372 20 5 HIBDRO Cn1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510364258 918854051 /nfs/dbraw/zinc/85/40/51/918854051.db2.gz OMHJSIMLSIMBKL-UHFFFAOYSA-N 1 0 420.513 4.219 20 5 HIBDRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)CC1 ZINC000510422451 918887533 /nfs/dbraw/zinc/88/75/33/918887533.db2.gz VQUWCGKWEKNFFZ-UHFFFAOYSA-N 1 0 411.502 4.325 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000510526383 918972987 /nfs/dbraw/zinc/97/29/87/918972987.db2.gz PFYRNNUBNNCLMM-FTRWYGJKSA-N 1 0 401.532 4.191 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+](C)C ZINC000510556072 919000956 /nfs/dbraw/zinc/00/09/56/919000956.db2.gz XFNMAERMIDIRKL-BXKMTCNYSA-N 1 0 413.521 4.411 20 5 HIBDRO Cc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000510927845 919450582 /nfs/dbraw/zinc/45/05/82/919450582.db2.gz ILQHWECZKNGYRR-ZIAGYGMSSA-N 1 0 424.339 4.049 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510976114 919524999 /nfs/dbraw/zinc/52/49/99/919524999.db2.gz FDWBOIDTNOUJJN-AVRDEDQJSA-N 1 0 424.545 4.202 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000510985581 919538240 /nfs/dbraw/zinc/53/82/40/919538240.db2.gz MSTNMSJPXISNLB-SJLPKXTDSA-N 1 0 414.531 4.362 20 5 HIBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[NH+](C)C ZINC000511093750 919697282 /nfs/dbraw/zinc/69/72/82/919697282.db2.gz KRDGRXBEEVYRSH-KRWDZBQOSA-N 1 0 401.532 4.452 20 5 HIBDRO C[C@H]1CCCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000511389484 919994646 /nfs/dbraw/zinc/99/46/46/919994646.db2.gz CBJWJLXPZSAJIL-SFHVURJKSA-N 1 0 416.566 4.168 20 5 HIBDRO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511646494 920313771 /nfs/dbraw/zinc/31/37/71/920313771.db2.gz HHZMZDUMXLTCIX-QFIPXVFZSA-N 1 0 406.486 4.177 20 5 HIBDRO COc1cc(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000511823235 920520342 /nfs/dbraw/zinc/52/03/42/920520342.db2.gz NQLFLHROACWYOL-UHFFFAOYSA-N 1 0 411.502 4.298 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511894140 920629622 /nfs/dbraw/zinc/62/96/22/920629622.db2.gz QUASWZSVDADPNN-ZCNNSNEGSA-N 1 0 407.470 4.161 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000512086553 920850557 /nfs/dbraw/zinc/85/05/57/920850557.db2.gz AKPRMOIACXLPGQ-INIZCTEOSA-N 1 0 406.486 4.238 20 5 HIBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000512144415 920887193 /nfs/dbraw/zinc/88/71/93/920887193.db2.gz ASUFDRPYAUFMEE-UHFFFAOYSA-N 1 0 424.545 4.355 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178785 920918893 /nfs/dbraw/zinc/91/88/93/920918893.db2.gz KIZPLCBUZXVFIF-RTBURBONSA-N 1 0 411.550 4.082 20 5 HIBDRO COc1cc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000512184815 920927567 /nfs/dbraw/zinc/92/75/67/920927567.db2.gz NDJTUEUTFHCBHW-IAGOWNOFSA-N 1 0 411.502 4.011 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512230519 920983880 /nfs/dbraw/zinc/98/38/80/920983880.db2.gz SPASTRQJGMSVMV-MRXNPFEDSA-N 1 0 408.380 4.010 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCN(c4cccnn4)CC3)o2)c(Cl)c1 ZINC000513696672 922016684 /nfs/dbraw/zinc/01/66/84/922016684.db2.gz BZPQRBRYOYVLID-UHFFFAOYSA-N 1 0 413.865 4.011 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513736287 922056799 /nfs/dbraw/zinc/05/67/99/922056799.db2.gz YQSVCDKJRVFPPH-UHFFFAOYSA-N 1 0 419.428 4.112 20 5 HIBDRO Cn1ccnc1[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513763282 922082069 /nfs/dbraw/zinc/08/20/69/922082069.db2.gz WRYXBKHLXHSPOJ-QHCPKHFHSA-N 1 0 419.529 4.193 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000513824643 922150008 /nfs/dbraw/zinc/15/00/08/922150008.db2.gz OCHYAULQHOTNSV-XFIJJGBISA-N 1 0 404.457 4.133 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514070482 922393166 /nfs/dbraw/zinc/39/31/66/922393166.db2.gz WTFXSGQVOJXHOR-PMOQBDJRSA-N 1 0 424.497 4.230 20 5 HIBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000514075272 922397946 /nfs/dbraw/zinc/39/79/46/922397946.db2.gz CJVKIBDQQYYMMQ-IAGOWNOFSA-N 1 0 410.518 4.391 20 5 HIBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000514129094 922463642 /nfs/dbraw/zinc/46/36/42/922463642.db2.gz RTIHOEOSZFKPID-IBGZPJMESA-N 1 0 413.474 4.086 20 5 HIBDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000514129095 922464004 /nfs/dbraw/zinc/46/40/04/922464004.db2.gz RTIHOEOSZFKPID-LJQANCHMSA-N 1 0 413.474 4.086 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000514195458 922534507 /nfs/dbraw/zinc/53/45/07/922534507.db2.gz QWXFGXLECXXGIT-CQSZACIVSA-N 1 0 419.428 4.152 20 5 HIBDRO COC[C@]1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000514636261 922738364 /nfs/dbraw/zinc/73/83/64/922738364.db2.gz VAEKNJZAIJLHHA-UCFCWBNQSA-N 1 0 410.514 4.010 20 5 HIBDRO COC[C@]1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000514636260 922739124 /nfs/dbraw/zinc/73/91/24/922739124.db2.gz VAEKNJZAIJLHHA-KWOQKUFVSA-N 1 0 410.514 4.010 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cc2)CC1 ZINC000515548151 923168268 /nfs/dbraw/zinc/16/82/68/923168268.db2.gz JYINOLHQARYKNN-UHFFFAOYSA-N 1 0 408.502 4.324 20 5 HIBDRO COC(=O)c1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])c1 ZINC000515574136 923190503 /nfs/dbraw/zinc/19/05/03/923190503.db2.gz LUMYPBZKOPPSGU-HNNXBMFYSA-N 1 0 411.458 4.008 20 5 HIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccc1Cl ZINC000515606777 923212296 /nfs/dbraw/zinc/21/22/96/923212296.db2.gz QXTIJHVJEYZIPC-HXUWFJFHSA-N 1 0 416.909 4.199 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000516555757 923794032 /nfs/dbraw/zinc/79/40/32/923794032.db2.gz CDKQIAMQOUXNDR-GOSISDBHSA-N 1 0 403.866 4.111 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000516555758 923794229 /nfs/dbraw/zinc/79/42/29/923794229.db2.gz CDKQIAMQOUXNDR-SFHVURJKSA-N 1 0 403.866 4.111 20 5 HIBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000519918863 928152529 /nfs/dbraw/zinc/15/25/29/928152529.db2.gz YXXAJHFDRJNLMJ-SFHVURJKSA-N 1 0 404.555 4.071 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000520200560 928384720 /nfs/dbraw/zinc/38/47/20/928384720.db2.gz BZPRLONRHWFSQT-IBGZPJMESA-N 1 0 410.445 4.467 20 5 HIBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000520312684 928473734 /nfs/dbraw/zinc/47/37/34/928473734.db2.gz MCTZXISSQPVXSC-LJQANCHMSA-N 1 0 419.569 4.172 20 5 HIBDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000520401190 928547702 /nfs/dbraw/zinc/54/77/02/928547702.db2.gz WTFQZMGRPAJCDU-UHFFFAOYSA-N 1 0 411.568 4.003 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000521173829 929043652 /nfs/dbraw/zinc/04/36/52/929043652.db2.gz JRIFLMTTZOWCML-KRWDZBQOSA-N 1 0 407.873 4.150 20 5 HIBDRO Cc1sc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000521571279 929304128 /nfs/dbraw/zinc/30/41/28/929304128.db2.gz AMNQALXOTDBNEV-UHFFFAOYSA-N 1 0 415.437 4.188 20 5 HIBDRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000521828677 929481972 /nfs/dbraw/zinc/48/19/72/929481972.db2.gz QNBCEKMYCHWPQI-UHFFFAOYSA-N 1 0 405.454 4.188 20 5 HIBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000521829217 929482445 /nfs/dbraw/zinc/48/24/45/929482445.db2.gz USVDHRYRCLMWMX-UHFFFAOYSA-N 1 0 424.295 4.012 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000521883175 929533394 /nfs/dbraw/zinc/53/33/94/929533394.db2.gz ISAUMKJCRYQEHV-IBGZPJMESA-N 1 0 424.526 4.331 20 5 HIBDRO O=C1[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCN1c1ccccc1 ZINC000524687670 929800039 /nfs/dbraw/zinc/80/00/39/929800039.db2.gz ZSJAUGNKJGSTED-FQEVSTJZSA-N 1 0 421.428 4.421 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000524946892 929907889 /nfs/dbraw/zinc/90/78/89/929907889.db2.gz HKGOOBPWEIXNEN-UUOWRZLLSA-N 1 0 421.497 4.234 20 5 HIBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000525353748 930191381 /nfs/dbraw/zinc/19/13/81/930191381.db2.gz DESZLHJRIARIOK-OAQYLSRUSA-N 1 0 416.566 4.215 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355020 930192884 /nfs/dbraw/zinc/19/28/84/930192884.db2.gz QVEMNGDTSCAZKF-FPOVZHCZSA-N 1 0 416.566 4.214 20 5 HIBDRO COc1ccc(C[N@H+](C)CCc2ccccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527108130 930592585 /nfs/dbraw/zinc/59/25/85/930592585.db2.gz SXHHNOQWHKREEC-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO C[C@]1(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCO1 ZINC000531527682 931093104 /nfs/dbraw/zinc/09/31/04/931093104.db2.gz PDZDKRNXMXTRSR-AZUAARDMSA-N 1 0 403.866 4.087 20 5 HIBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000532394799 931421736 /nfs/dbraw/zinc/42/17/36/931421736.db2.gz OAJAXHOKTZMWFM-MRXNPFEDSA-N 1 0 403.866 4.141 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000532460180 931444581 /nfs/dbraw/zinc/44/45/81/931444581.db2.gz UBACBVMYXIRMPD-IRXDYDNUSA-N 1 0 419.547 4.346 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000532651284 931569219 /nfs/dbraw/zinc/56/92/19/931569219.db2.gz QDFRNQQJIOYSNW-FPOVZHCZSA-N 1 0 424.545 4.217 20 5 HIBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000532669677 931578215 /nfs/dbraw/zinc/57/82/15/931578215.db2.gz OLLRXDWOFMDZOD-INIZCTEOSA-N 1 0 423.542 4.429 20 5 HIBDRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533050779 931754096 /nfs/dbraw/zinc/75/40/96/931754096.db2.gz TWBXKMAIJWQJJG-UHFFFAOYSA-N 1 0 418.291 4.208 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000533055262 931756881 /nfs/dbraw/zinc/75/68/81/931756881.db2.gz WZIVFXOTWDUMOW-QHCPKHFHSA-N 1 0 423.444 4.450 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)o2)c([N+](=O)[O-])c1 ZINC000533187562 931804792 /nfs/dbraw/zinc/80/47/92/931804792.db2.gz OOJWJSQMFNYSCR-VLIAUNLRSA-N 1 0 404.488 4.008 20 5 HIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533369253 931850960 /nfs/dbraw/zinc/85/09/60/931850960.db2.gz GYXBNIXCTQYQQT-MRXNPFEDSA-N 1 0 412.421 4.042 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000533377446 931853080 /nfs/dbraw/zinc/85/30/80/931853080.db2.gz WVEVUCCLWRAPEQ-JOCHJYFZSA-N 1 0 421.428 4.411 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000533440999 931870410 /nfs/dbraw/zinc/87/04/10/931870410.db2.gz QSTRQOPJWCNYJN-HNNXBMFYSA-N 1 0 401.850 4.036 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484324 931881182 /nfs/dbraw/zinc/88/11/82/931881182.db2.gz HBPIGMGQFQRBPJ-WIYYLYMNSA-N 1 0 424.545 4.217 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513641 931890514 /nfs/dbraw/zinc/89/05/14/931890514.db2.gz MGOKFXJSZIPBET-OAQYLSRUSA-N 1 0 401.438 4.202 20 5 HIBDRO COc1ccc([C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2OC)cc1 ZINC000533563494 931901938 /nfs/dbraw/zinc/90/19/38/931901938.db2.gz ADFZZHQIYOWEHV-HSZRJFAPSA-N 1 0 408.454 4.500 20 5 HIBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000534270000 932373416 /nfs/dbraw/zinc/37/34/16/932373416.db2.gz ZMSBNBOXCZTLEK-UHFFFAOYSA-N 1 0 410.518 4.153 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000534515841 932540716 /nfs/dbraw/zinc/54/07/16/932540716.db2.gz YEJMLXKONDEAHG-ZDUSSCGKSA-N 1 0 404.772 4.443 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000534632068 932610885 /nfs/dbraw/zinc/61/08/85/932610885.db2.gz KSGCYTOYWMRRIA-QGZVFWFLSA-N 1 0 420.513 4.167 20 5 HIBDRO C[C@](O)(C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(F)(F)F ZINC000534829553 932798155 /nfs/dbraw/zinc/79/81/55/932798155.db2.gz NXQLPAUXPYTTPP-INIZCTEOSA-N 1 0 404.772 4.443 20 5 HIBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000535554597 933239735 /nfs/dbraw/zinc/23/97/35/933239735.db2.gz YCONKUWPHVBLMP-IBGZPJMESA-N 1 0 406.486 4.204 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535669292 933315007 /nfs/dbraw/zinc/31/50/07/933315007.db2.gz KGEIAILTLWLMBM-UHFFFAOYSA-N 1 0 413.905 4.377 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537296263 933701986 /nfs/dbraw/zinc/70/19/86/933701986.db2.gz WZDYSHIBVVIEDC-UHFFFAOYSA-N 1 0 421.501 4.392 20 5 HIBDRO COc1cc(CNc2cc(C[NH+](C)C)ccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000537506461 933797018 /nfs/dbraw/zinc/79/70/18/933797018.db2.gz VDRNOCBCAIAEAJ-UHFFFAOYSA-N 1 0 422.485 4.251 20 5 HIBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000537660869 938348795 /nfs/dbraw/zinc/34/87/95/938348795.db2.gz JYJRSEZZYIDPDD-LJQANCHMSA-N 1 0 400.475 4.041 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000537661686 938348916 /nfs/dbraw/zinc/34/89/16/938348916.db2.gz MUUSEFNFISHAHP-OXJNMPFZSA-N 1 0 401.532 4.394 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537775417 938374351 /nfs/dbraw/zinc/37/43/51/938374351.db2.gz BCFSWAPYPUZFIN-QFBILLFUSA-N 1 0 400.475 4.087 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537867760 938394630 /nfs/dbraw/zinc/39/46/30/938394630.db2.gz FKTBTCDTSYAZEG-UGKGYDQZSA-N 1 0 414.502 4.476 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc2c(cccc2F)n1C ZINC000537981432 938446553 /nfs/dbraw/zinc/44/65/53/938446553.db2.gz LKNBSERJPRDMKP-CQSZACIVSA-N 1 0 402.495 4.324 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538124641 938510724 /nfs/dbraw/zinc/51/07/24/938510724.db2.gz HIHQZERUBMGDTP-IAGOWNOFSA-N 1 0 420.469 4.247 20 5 HIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 ZINC000538124696 938511050 /nfs/dbraw/zinc/51/10/50/938511050.db2.gz NYNXBLSBUCJGPZ-QGZVFWFLSA-N 1 0 420.469 4.248 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC(F)F ZINC000538151116 938523329 /nfs/dbraw/zinc/52/33/29/938523329.db2.gz JNQMHJWMWKTGKQ-DOMZBBRYSA-N 1 0 423.416 4.273 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538163710 938530813 /nfs/dbraw/zinc/53/08/13/938530813.db2.gz QULAPAYFZZFQSD-QWHCGFSZSA-N 1 0 411.380 4.214 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538176683 938537668 /nfs/dbraw/zinc/53/76/68/938537668.db2.gz LWVRTLYLLOYPDX-CQSZACIVSA-N 1 0 424.482 4.198 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000538233618 938567942 /nfs/dbraw/zinc/56/79/42/938567942.db2.gz XKXXGUJOUVHZJX-AOMKIAJQSA-N 1 0 402.454 4.113 20 5 HIBDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000538277669 938581780 /nfs/dbraw/zinc/58/17/80/938581780.db2.gz VDGDHBIXACDBPZ-SFHVURJKSA-N 1 0 413.474 4.278 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000538322961 938592605 /nfs/dbraw/zinc/59/26/05/938592605.db2.gz HLKZTDWNHZCVKY-XCLFUZPHSA-N 1 0 401.438 4.119 20 5 HIBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000538718498 938689476 /nfs/dbraw/zinc/68/94/76/938689476.db2.gz WQESYYJQIIAFHM-WOJBJXKFSA-N 1 0 402.516 4.075 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538791584 938712763 /nfs/dbraw/zinc/71/27/63/938712763.db2.gz FDYLUPSISYEXDO-PZJWPPBQSA-N 1 0 412.486 4.183 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000538834501 938722416 /nfs/dbraw/zinc/72/24/16/938722416.db2.gz ZWHPFAFGSXZTSB-QGZVFWFLSA-N 1 0 417.531 4.258 20 5 HIBDRO CC[N@H+](CCC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)CC1CC1 ZINC000538948587 938745667 /nfs/dbraw/zinc/74/56/67/938745667.db2.gz MMBKMMMDACBHDN-GOSISDBHSA-N 1 0 416.566 4.064 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000538966389 938753554 /nfs/dbraw/zinc/75/35/54/938753554.db2.gz GQFYKTAPIVFNHY-UHFFFAOYSA-N 1 0 417.893 4.041 20 5 HIBDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1C ZINC000563483761 945201000 /nfs/dbraw/zinc/20/10/00/945201000.db2.gz UBGUFFCJOPZHLO-UHFFFAOYSA-N 1 0 412.534 4.020 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1 ZINC000539080259 938797609 /nfs/dbraw/zinc/79/76/09/938797609.db2.gz SSJSVLLPZPHDJU-NRFANRHFSA-N 1 0 418.497 4.470 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000539125984 938807144 /nfs/dbraw/zinc/80/71/44/938807144.db2.gz KZIHRWCVWLZQRQ-KPZWWZAWSA-N 1 0 409.280 4.232 20 5 HIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000539223843 938821075 /nfs/dbraw/zinc/82/10/75/938821075.db2.gz NSJSJLJSXMASEQ-QGZVFWFLSA-N 1 0 420.469 4.248 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000539254688 938827548 /nfs/dbraw/zinc/82/75/48/938827548.db2.gz QURORWIZTFHYAT-YLJYHZDGSA-N 1 0 411.502 4.398 20 5 HIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000539266414 938830118 /nfs/dbraw/zinc/83/01/18/938830118.db2.gz PCMQHOXHJNGUJE-CYBMUJFWSA-N 1 0 411.380 4.215 20 5 HIBDRO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000539282114 938833109 /nfs/dbraw/zinc/83/31/09/938833109.db2.gz VVMRGERTKKJPFT-LIRRHRJNSA-N 1 0 413.499 4.117 20 5 HIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000539297881 938836250 /nfs/dbraw/zinc/83/62/50/938836250.db2.gz UEPZTVZWINVCRT-LIRRHRJNSA-N 1 0 408.401 4.072 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539310847 938839037 /nfs/dbraw/zinc/83/90/37/938839037.db2.gz PFMADDMUGSWNLR-FQEVSTJZSA-N 1 0 409.873 4.421 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000539324778 938841436 /nfs/dbraw/zinc/84/14/36/938841436.db2.gz FSEMBYDSFKDGHO-NRFANRHFSA-N 1 0 401.438 4.202 20 5 HIBDRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539514146 938871772 /nfs/dbraw/zinc/87/17/72/938871772.db2.gz HIWQGYNJSMUZRG-UHFFFAOYSA-N 1 0 416.485 4.088 20 5 HIBDRO CC(C)(COc1ncccc1Br)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000539526847 938873478 /nfs/dbraw/zinc/87/34/78/938873478.db2.gz RUDCJSAPWSXJAK-YVMONPNESA-N 1 0 406.280 4.213 20 5 HIBDRO CCOc1cc(C[N@@H+]2C[C@H](C)C[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539828503 938948742 /nfs/dbraw/zinc/94/87/42/938948742.db2.gz APNYOIXKNBRHFU-VQIMIIECSA-N 1 0 416.522 4.198 20 5 HIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000539903176 938974487 /nfs/dbraw/zinc/97/44/87/938974487.db2.gz JZNNEPFFGUTULC-UHFFFAOYSA-N 1 0 418.291 4.248 20 5 HIBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000540138790 939087297 /nfs/dbraw/zinc/08/72/97/939087297.db2.gz GSSFTYYQPLFMBK-RVHYNSKXSA-N 1 0 403.910 4.279 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000540183360 939109743 /nfs/dbraw/zinc/10/97/43/939109743.db2.gz RGXADKHOCCPDLZ-SFHVURJKSA-N 1 0 412.877 4.452 20 5 HIBDRO O=C(c1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)N1CCCCC1 ZINC000540188053 939112764 /nfs/dbraw/zinc/11/27/64/939112764.db2.gz GGFBGVGSSCJMJL-QFIPXVFZSA-N 1 0 407.514 4.332 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000540367596 939213191 /nfs/dbraw/zinc/21/31/91/939213191.db2.gz FJTAXSMYEBTCNK-NRFANRHFSA-N 1 0 423.444 4.391 20 5 HIBDRO C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(-c2cccnc2)cc1 ZINC000540424885 939244264 /nfs/dbraw/zinc/24/42/64/939244264.db2.gz HMSBZGAOUSZIMU-INIZCTEOSA-N 1 0 418.453 4.306 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000540430559 939246356 /nfs/dbraw/zinc/24/63/56/939246356.db2.gz RFOCJKZMUGTJHX-NRFANRHFSA-N 1 0 401.438 4.202 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CC(F)(F)F)o2)c(Br)c1 ZINC000540620023 939322469 /nfs/dbraw/zinc/32/24/69/939322469.db2.gz YCOMAMCOINWIEK-SECBINFHSA-N 1 0 423.185 4.020 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000540838225 939390100 /nfs/dbraw/zinc/39/01/00/939390100.db2.gz LZHADMBUFLZWSC-UHFFFAOYSA-N 1 0 424.419 4.106 20 5 HIBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563693010 945251925 /nfs/dbraw/zinc/25/19/25/945251925.db2.gz PQRLSKDREWESAW-HNNXBMFYSA-N 1 0 407.392 4.008 20 5 HIBDRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541282010 939489170 /nfs/dbraw/zinc/48/91/70/939489170.db2.gz SIWMTKHYGBBTNN-GOSISDBHSA-N 1 0 409.486 4.004 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000541328492 939491033 /nfs/dbraw/zinc/49/10/33/939491033.db2.gz PWOUPHBWVCHXFM-IBGZPJMESA-N 1 0 408.907 4.153 20 5 HIBDRO Cc1c(Br)c(N(C)C2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000541576502 939559115 /nfs/dbraw/zinc/55/91/15/939559115.db2.gz KYNANWPCNMZXDG-UHFFFAOYSA-N 1 0 419.323 4.162 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541576026 939559138 /nfs/dbraw/zinc/55/91/38/939559138.db2.gz QPFZJMPHAFNFPL-ORAYPTAESA-N 1 0 415.856 4.435 20 5 HIBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541597447 939563375 /nfs/dbraw/zinc/56/33/75/939563375.db2.gz DHZLWONNUQWEIM-YLJYHZDGSA-N 1 0 417.575 4.433 20 5 HIBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541679638 939598617 /nfs/dbraw/zinc/59/86/17/939598617.db2.gz VMLGFNACVOYYNN-OALUTQOASA-N 1 0 403.548 4.234 20 5 HIBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890517 939649394 /nfs/dbraw/zinc/64/93/94/939649394.db2.gz NFJAWBBBHUQUMB-PKOBYXMFSA-N 1 0 406.486 4.040 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000541985780 939670204 /nfs/dbraw/zinc/67/02/04/939670204.db2.gz NLGPISMRVYTUNZ-JENIJYKNSA-N 1 0 407.555 4.333 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000542258501 939774332 /nfs/dbraw/zinc/77/43/32/939774332.db2.gz GAMDYFMUXJGSQF-FQEVSTJZSA-N 1 0 406.479 4.029 20 5 HIBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000542666533 939852728 /nfs/dbraw/zinc/85/27/28/939852728.db2.gz SVILSRBPRHIYTE-LLVKDONJSA-N 1 0 403.287 4.026 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000542693826 939854811 /nfs/dbraw/zinc/85/48/11/939854811.db2.gz ZNRWRHCYXIZLHZ-UHFFFAOYSA-N 1 0 406.280 4.093 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000543063610 939917566 /nfs/dbraw/zinc/91/75/66/939917566.db2.gz PQCJFLKCNDJUGP-LJQANCHMSA-N 1 0 401.850 4.287 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000543138290 939966202 /nfs/dbraw/zinc/96/62/02/939966202.db2.gz COOSFDKVGWFYQR-HNNXBMFYSA-N 1 0 404.513 4.160 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000543197582 939992396 /nfs/dbraw/zinc/99/23/96/939992396.db2.gz LMFLHYQEDWCIMY-QFIPXVFZSA-N 1 0 422.529 4.143 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000543281729 940017390 /nfs/dbraw/zinc/01/73/90/940017390.db2.gz MKYIFXCHRJFHNW-INIZCTEOSA-N 1 0 423.922 4.195 20 5 HIBDRO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000543480169 940078186 /nfs/dbraw/zinc/07/81/86/940078186.db2.gz KKORCMILBFNGQT-BPIHKTFHSA-N 1 0 411.477 4.149 20 5 HIBDRO COc1ccc2oc([C@H](C)[NH2+][C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c(C)c2c1 ZINC000543512149 940090778 /nfs/dbraw/zinc/09/07/78/940090778.db2.gz RIPYVUHIFOUPOJ-LIRRHRJNSA-N 1 0 409.442 4.114 20 5 HIBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000543519876 940094906 /nfs/dbraw/zinc/09/49/06/940094906.db2.gz LQWZSNSKLPCKFE-CYBMUJFWSA-N 1 0 410.499 4.285 20 5 HIBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543556579 940107829 /nfs/dbraw/zinc/10/78/29/940107829.db2.gz FXLNRXREVDVEGV-APWZRJJASA-N 1 0 421.856 4.178 20 5 HIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560973 940109371 /nfs/dbraw/zinc/10/93/71/940109371.db2.gz ROYHAHAFTDGCMB-MOPGFXCFSA-N 1 0 412.421 4.136 20 5 HIBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)[nH]1 ZINC000543621218 940136677 /nfs/dbraw/zinc/13/66/77/940136677.db2.gz IHTLOLVGQGSFDF-ZDUSSCGKSA-N 1 0 401.854 4.314 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000543621673 940137188 /nfs/dbraw/zinc/13/71/88/940137188.db2.gz XUYQMAZEKXQQST-UHFFFAOYSA-N 1 0 413.481 4.500 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000543629222 940141363 /nfs/dbraw/zinc/14/13/63/940141363.db2.gz JSYZFJDKHYGFKB-OAHLLOKOSA-N 1 0 404.308 4.282 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000543630778 940142354 /nfs/dbraw/zinc/14/23/54/940142354.db2.gz VCTCDLGMFJQZQF-OAQYLSRUSA-N 1 0 411.502 4.145 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000543644416 940147404 /nfs/dbraw/zinc/14/74/04/940147404.db2.gz JZADDGWDSDFIPW-LAUBAEHRSA-N 1 0 412.465 4.252 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2)c1 ZINC000543777452 940183595 /nfs/dbraw/zinc/18/35/95/940183595.db2.gz WHAZSGJUWVFDLA-LOSJGSFVSA-N 1 0 417.509 4.041 20 5 HIBDRO Cc1cc(N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543978002 940281389 /nfs/dbraw/zinc/28/13/89/940281389.db2.gz WYCRECGNVFEKAF-LJQANCHMSA-N 1 0 408.502 4.070 20 5 HIBDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000544118264 940331298 /nfs/dbraw/zinc/33/12/98/940331298.db2.gz SRHGKLPPJSWXLL-YWZLYKJASA-N 1 0 413.474 4.024 20 5 HIBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000544120142 940331736 /nfs/dbraw/zinc/33/17/36/940331736.db2.gz NKYIMGYARYYPQJ-GHMZBOCLSA-N 1 0 403.237 4.131 20 5 HIBDRO Cc1ccc([C@H](Cn2ccnc2)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000544417097 940417885 /nfs/dbraw/zinc/41/78/85/940417885.db2.gz OLYUONIAQIABCG-IERDGZPVSA-N 1 0 410.449 4.208 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)CC1CC1 ZINC000544540962 940475496 /nfs/dbraw/zinc/47/54/96/940475496.db2.gz VRDZAOLDNXXEES-MRXNPFEDSA-N 1 0 405.514 4.198 20 5 HIBDRO O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)n2)c1 ZINC000544625892 940493350 /nfs/dbraw/zinc/49/33/50/940493350.db2.gz MRPONPZNWHOFIB-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000545303579 940560739 /nfs/dbraw/zinc/56/07/39/940560739.db2.gz AJGBSTDHYOQKAI-UHFFFAOYSA-N 1 0 411.502 4.134 20 5 HIBDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)cc2Cl)CC1 ZINC000545775685 940585053 /nfs/dbraw/zinc/58/50/53/940585053.db2.gz VUZUDTGETAYKAI-UHFFFAOYSA-N 1 0 413.865 4.107 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCC3(CCOCC3)C2)cc1OC ZINC000563988102 945337608 /nfs/dbraw/zinc/33/76/08/945337608.db2.gz OSFUBTJXPTYNBJ-KRWDZBQOSA-N 1 0 406.523 4.421 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000546645407 940864633 /nfs/dbraw/zinc/86/46/33/940864633.db2.gz IYCOTLTXAFDTPZ-CQSZACIVSA-N 1 0 419.934 4.471 20 5 HIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000546760727 940878570 /nfs/dbraw/zinc/87/85/70/940878570.db2.gz GRYKOEOUYRXPNJ-YPAWHYETSA-N 1 0 416.449 4.342 20 5 HIBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000547084891 940989190 /nfs/dbraw/zinc/98/91/90/940989190.db2.gz HKURZSKRCVPZBT-GOSISDBHSA-N 1 0 407.474 4.012 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547263894 941047530 /nfs/dbraw/zinc/04/75/30/941047530.db2.gz KNBURNBPXIUZOD-SJORKVTESA-N 1 0 405.514 4.125 20 5 HIBDRO COc1ccc(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)cc1[N+](=O)[O-] ZINC000549923043 941239696 /nfs/dbraw/zinc/23/96/96/941239696.db2.gz JLTBSHXNYPXCMH-UHFFFAOYSA-N 1 0 408.857 4.277 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000550393465 941321701 /nfs/dbraw/zinc/32/17/01/941321701.db2.gz LRCDAOWHDLIICB-KRWDZBQOSA-N 1 0 403.866 4.039 20 5 HIBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000551271247 941441084 /nfs/dbraw/zinc/44/10/84/941441084.db2.gz MSWAMLIMMKUYPB-OXQOHEQNSA-N 1 0 422.909 4.288 20 5 HIBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)cn1 ZINC000552077082 941580913 /nfs/dbraw/zinc/58/09/13/941580913.db2.gz VXLPHSVUIZQHDX-KRWDZBQOSA-N 1 0 410.449 4.324 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000552080664 941581118 /nfs/dbraw/zinc/58/11/18/941581118.db2.gz LVCYFOCRWDRESG-OAQYLSRUSA-N 1 0 411.502 4.133 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000552248612 941613474 /nfs/dbraw/zinc/61/34/74/941613474.db2.gz MVBGPZINFOMBHQ-QFIPXVFZSA-N 1 0 407.518 4.048 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000552319138 941630803 /nfs/dbraw/zinc/63/08/03/941630803.db2.gz FUSPFEIEIAFROW-RDTXWAMCSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552911761 941802093 /nfs/dbraw/zinc/80/20/93/941802093.db2.gz OOHVFNGPGOSCCT-YPMHNXCESA-N 1 0 413.421 4.137 20 5 HIBDRO C[C@H](CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C[NH+](C)C ZINC000553231521 941853408 /nfs/dbraw/zinc/85/34/08/941853408.db2.gz PGBOFDGKDUEQOT-CYBMUJFWSA-N 1 0 407.923 4.327 20 5 HIBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[NH+](C)C)cc1 ZINC000554015223 942019297 /nfs/dbraw/zinc/01/92/97/942019297.db2.gz RWRRXUFADWIUDV-LJQANCHMSA-N 1 0 411.458 4.161 20 5 HIBDRO COc1ccc(C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)C)cc1 ZINC000554746676 942220179 /nfs/dbraw/zinc/22/01/79/942220179.db2.gz BURXWQGMSLITFI-UHFFFAOYSA-N 1 0 413.474 4.202 20 5 HIBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555088280 942382538 /nfs/dbraw/zinc/38/25/38/942382538.db2.gz YYTASTQPLKDFKW-HNNXBMFYSA-N 1 0 413.421 4.242 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC000555133495 942397792 /nfs/dbraw/zinc/39/77/92/942397792.db2.gz SXWUIYRWILTYEM-NFBKMPQASA-N 1 0 411.502 4.070 20 5 HIBDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000555152682 942407194 /nfs/dbraw/zinc/40/71/94/942407194.db2.gz OPRLDESFFNEETM-MJGOQNOKSA-N 1 0 411.502 4.194 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000555598218 942661565 /nfs/dbraw/zinc/66/15/65/942661565.db2.gz UTTJKHROLIZLSW-UPVQGACJSA-N 1 0 422.529 4.001 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000555598217 942661778 /nfs/dbraw/zinc/66/17/78/942661778.db2.gz UTTJKHROLIZLSW-LADGPHEKSA-N 1 0 422.529 4.001 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000555812861 942741957 /nfs/dbraw/zinc/74/19/57/942741957.db2.gz PXYYGMKXUHJSCB-UHFFFAOYSA-N 1 0 424.339 4.050 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000555841800 942748993 /nfs/dbraw/zinc/74/89/93/942748993.db2.gz QKHFWWGZJDMPID-ZDUSSCGKSA-N 1 0 409.408 4.473 20 5 HIBDRO COc1cc(C[NH2+]Cc2cnc3n2CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000556411731 942859565 /nfs/dbraw/zinc/85/95/65/942859565.db2.gz GOQYSMQGPWEUKA-UHFFFAOYSA-N 1 0 422.485 4.005 20 5 HIBDRO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556867879 942943478 /nfs/dbraw/zinc/94/34/78/942943478.db2.gz BLWKRLXHDOMTCE-FCHUYYIVSA-N 1 0 411.550 4.052 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000557263844 943062968 /nfs/dbraw/zinc/06/29/68/943062968.db2.gz ZXXFTUDUYVDYSH-IIBYNOLFSA-N 1 0 403.910 4.281 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000557522335 943189245 /nfs/dbraw/zinc/18/92/45/943189245.db2.gz KBRSTBWERJMCBI-CYBMUJFWSA-N 1 0 412.412 4.125 20 5 HIBDRO O=C(CC[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000557876486 943318060 /nfs/dbraw/zinc/31/80/60/943318060.db2.gz RVXIXFGFDQJWJN-HXUWFJFHSA-N 1 0 416.909 4.004 20 5 HIBDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000558065432 943370492 /nfs/dbraw/zinc/37/04/92/943370492.db2.gz XOPLHFPGWOVNAY-UHFFFAOYSA-N 1 0 416.524 4.407 20 5 HIBDRO C[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000558562124 943598982 /nfs/dbraw/zinc/59/89/82/943598982.db2.gz HRMPZICLMVAUDS-PKOBYXMFSA-N 1 0 413.493 4.256 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000558899461 943734185 /nfs/dbraw/zinc/73/41/85/943734185.db2.gz UBCALCDHBRYLDN-WIYYLYMNSA-N 1 0 405.445 4.195 20 5 HIBDRO CCc1nc2cc(C[NH2+][C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2n1C1CC1 ZINC000558974329 943779475 /nfs/dbraw/zinc/77/94/75/943779475.db2.gz CETQGNXDFZXCIL-OAHLLOKOSA-N 1 0 421.501 4.349 20 5 HIBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000560797698 944335803 /nfs/dbraw/zinc/33/58/03/944335803.db2.gz RLNHFZKNNDLASS-UHFFFAOYSA-N 1 0 404.264 4.205 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000561016142 944397107 /nfs/dbraw/zinc/39/71/07/944397107.db2.gz AXOSKVOFIVDPSI-UHFFFAOYSA-N 1 0 409.408 4.338 20 5 HIBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000561260024 944531263 /nfs/dbraw/zinc/53/12/63/944531263.db2.gz ZNULVFGXTANVAI-AEFFLSMTSA-N 1 0 409.515 4.090 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000561401821 944581563 /nfs/dbraw/zinc/58/15/63/944581563.db2.gz LGYBJTWNSDYSEF-FQEVSTJZSA-N 1 0 403.866 4.326 20 5 HIBDRO C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000561533185 944659550 /nfs/dbraw/zinc/65/95/50/944659550.db2.gz IZJDXZBAEYVNNB-GOSISDBHSA-N 1 0 423.513 4.120 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000561728443 944766890 /nfs/dbraw/zinc/76/68/90/944766890.db2.gz TVBQJAKJZUIHGB-SFHVURJKSA-N 1 0 419.572 4.461 20 5 HIBDRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000561954925 944872975 /nfs/dbraw/zinc/87/29/75/944872975.db2.gz JWWBGMCPBYVKLR-KRWDZBQOSA-N 1 0 413.493 4.386 20 5 HIBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000561974572 944883286 /nfs/dbraw/zinc/88/32/86/944883286.db2.gz HEEFZMSHDINLGN-GOSISDBHSA-N 1 0 415.465 4.407 20 5 HIBDRO COc1cc(C[N@H+](C)C2CCC(CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000561982321 944885866 /nfs/dbraw/zinc/88/58/66/944885866.db2.gz MDWGRVOUJFYHFU-UHFFFAOYSA-N 1 0 414.502 4.165 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2cc3ccccc3[nH]2)c1 ZINC000562071118 944922347 /nfs/dbraw/zinc/92/23/47/944922347.db2.gz UVGSPPLHQHURDW-UHFFFAOYSA-N 1 0 421.238 4.013 20 5 HIBDRO O=C1[C@H]([NH2+][C@H](Cc2ccccc2)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000565384085 945821409 /nfs/dbraw/zinc/82/14/09/945821409.db2.gz GEBBIIKAKCBDRF-WOJBJXKFSA-N 1 0 407.495 4.335 20 5 HIBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000567189721 946264743 /nfs/dbraw/zinc/26/47/43/946264743.db2.gz RFDJLAGRDIBHQW-UHFFFAOYSA-N 1 0 410.518 4.330 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000567957056 946431272 /nfs/dbraw/zinc/43/12/72/946431272.db2.gz MDXYWHDPPOYMMW-UHFFFAOYSA-N 1 0 424.522 4.180 20 5 HIBDRO CCc1ccc([C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569048538 946808980 /nfs/dbraw/zinc/80/89/80/946808980.db2.gz RMFDSAHMHDXSFL-LJQANCHMSA-N 1 0 411.424 4.456 20 5 HIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)c2C1 ZINC000569166645 946830282 /nfs/dbraw/zinc/83/02/82/946830282.db2.gz QEIZSFDUCZZCSC-UHFFFAOYSA-N 1 0 403.429 4.416 20 5 HIBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000569734530 946962140 /nfs/dbraw/zinc/96/21/40/946962140.db2.gz WYVCCNPOYIBOCK-SGTLLEGYSA-N 1 0 409.280 4.258 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)s1 ZINC000570718336 947334015 /nfs/dbraw/zinc/33/40/15/947334015.db2.gz WGMQQCATVVVFSG-AWEZNQCLSA-N 1 0 407.923 4.212 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000570719231 947334211 /nfs/dbraw/zinc/33/42/11/947334211.db2.gz OGSPOKXIGYDBFB-MRXNPFEDSA-N 1 0 422.403 4.143 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571587624 947716101 /nfs/dbraw/zinc/71/61/01/947716101.db2.gz WEWVPVOHHUOBBM-NHCUHLMSSA-N 1 0 412.486 4.326 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCCSC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000571718046 947759611 /nfs/dbraw/zinc/75/96/11/947759611.db2.gz JJZAIOQBJWRICA-QGZVFWFLSA-N 1 0 402.516 4.415 20 5 HIBDRO CCC[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000571867752 947806356 /nfs/dbraw/zinc/80/63/56/947806356.db2.gz ILYXRYXMQUCCRT-SFHVURJKSA-N 1 0 404.898 4.312 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000572506738 947920147 /nfs/dbraw/zinc/92/01/47/947920147.db2.gz LKTYVFLJUFYHID-JOCHJYFZSA-N 1 0 407.518 4.049 20 5 HIBDRO C[NH+](C)CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1cccs1 ZINC000572829753 948020558 /nfs/dbraw/zinc/02/05/58/948020558.db2.gz POHHXCYVAAFQLQ-UHFFFAOYSA-N 1 0 402.545 4.344 20 5 HIBDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000573590992 948244888 /nfs/dbraw/zinc/24/48/88/948244888.db2.gz ZOGCAEALKSXVCF-KRWDZBQOSA-N 1 0 408.458 4.108 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000573609726 948248524 /nfs/dbraw/zinc/24/85/24/948248524.db2.gz GVSYVNXWEUYEML-LBPRGKRZSA-N 1 0 411.380 4.302 20 5 HIBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000574326475 948413422 /nfs/dbraw/zinc/41/34/22/948413422.db2.gz NGXVEAMIPNZIFS-YLJYHZDGSA-N 1 0 410.518 4.152 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000574544748 948468072 /nfs/dbraw/zinc/46/80/72/948468072.db2.gz BACVGUIJHJELHM-KNQAVFIVSA-N 1 0 424.545 4.079 20 5 HIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC3 ZINC000574923713 948553368 /nfs/dbraw/zinc/55/33/68/948553368.db2.gz RMCHAKZCZULQOI-SBUREZEXSA-N 1 0 415.497 4.355 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)c1ccccn1 ZINC000575747006 948692951 /nfs/dbraw/zinc/69/29/51/948692951.db2.gz JPQKOKRRACBZRK-OAQYLSRUSA-N 1 0 402.454 4.409 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164619227 719056075 /nfs/dbraw/zinc/05/60/75/719056075.db2.gz CBNROVCGSUFVBK-QAPCUYQASA-N 1 0 422.863 4.289 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC3)cs1 ZINC001164693472 719803634 /nfs/dbraw/zinc/80/36/34/719803634.db2.gz TVGOCEUXKOOHKG-UHFFFAOYSA-N 1 0 407.927 4.043 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731092 720479528 /nfs/dbraw/zinc/47/95/28/720479528.db2.gz VPVAABMCAAKCTL-UXHICEINSA-N 1 0 419.460 4.044 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 ZINC000435939002 861202079 /nfs/dbraw/zinc/20/20/79/861202079.db2.gz MNZOSXJYYUWPIJ-XMMPIXPASA-N 1 0 413.521 4.494 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436010238 861300068 /nfs/dbraw/zinc/30/00/68/861300068.db2.gz ZHJLFHKVOPVDPV-CALCHBBNSA-N 1 0 423.532 4.308 20 5 HIBDRO CC(C)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+]1CCC(C)CC1 ZINC000436108624 861394074 /nfs/dbraw/zinc/39/40/74/861394074.db2.gz JGOZFBFLCSUFAR-QHCPKHFHSA-N 1 0 405.542 4.168 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007257918 845297733 /nfs/dbraw/zinc/29/77/33/845297733.db2.gz SJGDEXYMWKZWPZ-UHFFFAOYSA-N 1 0 408.502 4.085 20 5 HIBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000010653098 845686795 /nfs/dbraw/zinc/68/67/95/845686795.db2.gz JTUVMBIPTVEHIJ-UHFFFAOYSA-N 1 0 415.881 4.192 20 5 HIBDRO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000010928353 845727435 /nfs/dbraw/zinc/72/74/35/845727435.db2.gz FZSPGHLSNNHWCV-UHFFFAOYSA-N 1 0 406.280 4.206 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000436322884 861626434 /nfs/dbraw/zinc/62/64/34/861626434.db2.gz PFXQBKWXBJCTRP-KRWDZBQOSA-N 1 0 409.408 4.182 20 5 HIBDRO CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000025536030 846994312 /nfs/dbraw/zinc/99/43/12/846994312.db2.gz SZCOIJUGTFLJAX-HXUWFJFHSA-N 1 0 401.894 4.061 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000027674962 847335060 /nfs/dbraw/zinc/33/50/60/847335060.db2.gz ZKCJSIKKVFDWGY-HXUWFJFHSA-N 1 0 424.526 4.301 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029828901 847627020 /nfs/dbraw/zinc/62/70/20/847627020.db2.gz KEELGYOGQSKVMX-INIZCTEOSA-N 1 0 408.458 4.253 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031988369 847975969 /nfs/dbraw/zinc/97/59/69/847975969.db2.gz WKUPCUXRDAFQRY-LJQANCHMSA-N 1 0 402.520 4.044 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000041894405 848262473 /nfs/dbraw/zinc/26/24/73/848262473.db2.gz BDENJRJACNJQQH-CYBMUJFWSA-N 1 0 414.487 4.235 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644345 848445779 /nfs/dbraw/zinc/44/57/79/848445779.db2.gz PLELDCOIMNQAHN-UHFFFAOYSA-N 1 0 411.380 4.083 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000045779075 848726757 /nfs/dbraw/zinc/72/67/57/848726757.db2.gz MTJAGRDNOIMJNC-SFHVURJKSA-N 1 0 410.518 4.311 20 5 HIBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050009363 849340059 /nfs/dbraw/zinc/34/00/59/849340059.db2.gz DNJPUZLPKUIBMC-UHFFFAOYSA-N 1 0 408.502 4.429 20 5 HIBDRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1OC ZINC000053617641 849737663 /nfs/dbraw/zinc/73/76/63/849737663.db2.gz RRHBUGHOGNJRCO-UHFFFAOYSA-N 1 0 413.474 4.096 20 5 HIBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1SC ZINC000060356216 851075541 /nfs/dbraw/zinc/07/55/41/851075541.db2.gz ZTEUJJDFUQRQES-UHFFFAOYSA-N 1 0 403.504 4.094 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437023949 862207414 /nfs/dbraw/zinc/20/74/14/862207414.db2.gz PLXSNZIQKFVCKL-IFXJQAMLSA-N 1 0 421.419 4.254 20 5 HIBDRO O=C1CCCN1CCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000061002945 851269522 /nfs/dbraw/zinc/26/95/22/851269522.db2.gz PUFURYHHXPUEFP-UHFFFAOYSA-N 1 0 403.866 4.143 20 5 HIBDRO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000061002386 851269811 /nfs/dbraw/zinc/26/98/11/851269811.db2.gz IVBHKCGQMZOUAV-OAHLLOKOSA-N 1 0 416.474 4.327 20 5 HIBDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000061012822 851271963 /nfs/dbraw/zinc/27/19/63/851271963.db2.gz ABIDOINUTUZMQZ-UHFFFAOYSA-N 1 0 408.454 4.481 20 5 HIBDRO CC(C)(C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000061013128 851273612 /nfs/dbraw/zinc/27/36/12/851273612.db2.gz CXUATKPISVSOHZ-UHFFFAOYSA-N 1 0 419.909 4.241 20 5 HIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000061013061 851274004 /nfs/dbraw/zinc/27/40/04/851274004.db2.gz GVNRAHKERNZCCN-QFIPXVFZSA-N 1 0 401.482 4.020 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000061029499 851278070 /nfs/dbraw/zinc/27/80/70/851278070.db2.gz TWTWSGIRDDVYLM-UHFFFAOYSA-N 1 0 419.547 4.039 20 5 HIBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063680029 851740198 /nfs/dbraw/zinc/74/01/98/851740198.db2.gz PMUNUZCIZICBHO-UHFFFAOYSA-N 1 0 413.543 4.379 20 5 HIBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000063733315 851749965 /nfs/dbraw/zinc/74/99/65/851749965.db2.gz CMLRUGZXKLQJFF-HNNXBMFYSA-N 1 0 416.909 4.074 20 5 HIBDRO CC1CCN(c2ccc(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000063758460 851756243 /nfs/dbraw/zinc/75/62/43/851756243.db2.gz CYVTUKHXYJKKKJ-LJQANCHMSA-N 1 0 416.566 4.073 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 ZINC000064113403 851829377 /nfs/dbraw/zinc/82/93/77/851829377.db2.gz WAJWBPVGSHSFAY-UHFFFAOYSA-N 1 0 421.501 4.013 20 5 HIBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000064412326 851891268 /nfs/dbraw/zinc/89/12/68/851891268.db2.gz TZUXWWFZCHOKCP-UHFFFAOYSA-N 1 0 410.396 4.209 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065087243 852059589 /nfs/dbraw/zinc/05/95/89/852059589.db2.gz BHXAEVKOFSORRE-UHFFFAOYSA-N 1 0 422.510 4.244 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000065121940 852071583 /nfs/dbraw/zinc/07/15/83/852071583.db2.gz VVNSJAZEYXBXEQ-CQSZACIVSA-N 1 0 415.437 4.488 20 5 HIBDRO CC1CC[NH+](Cc2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)CC1 ZINC000065868565 852292679 /nfs/dbraw/zinc/29/26/79/852292679.db2.gz XCVWXJXBBWLUMZ-UHFFFAOYSA-N 1 0 406.486 4.420 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)C1 ZINC000071931706 852435410 /nfs/dbraw/zinc/43/54/10/852435410.db2.gz ULXCSYUQHLOGIM-KRWDZBQOSA-N 1 0 419.485 4.265 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000106018359 852747106 /nfs/dbraw/zinc/74/71/06/852747106.db2.gz AKGGZCNBXNFZCT-UHFFFAOYSA-N 1 0 419.481 4.019 20 5 HIBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000107529307 852773298 /nfs/dbraw/zinc/77/32/98/852773298.db2.gz QVUBBNFTQBIZJS-INIZCTEOSA-N 1 0 422.957 4.163 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000437209114 862398473 /nfs/dbraw/zinc/39/84/73/862398473.db2.gz NWAFUQPMQABUMR-UHFFFAOYSA-N 1 0 413.440 4.342 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437209583 862399036 /nfs/dbraw/zinc/39/90/36/862399036.db2.gz BFWYBYAEFVODSM-UHFFFAOYSA-N 1 0 401.429 4.198 20 5 HIBDRO COc1ccc2[nH]cc(C3CC[NH+](CCC(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000108970651 852901454 /nfs/dbraw/zinc/90/14/54/852901454.db2.gz JQVAGWAXDRSQTK-UHFFFAOYSA-N 1 0 422.485 4.293 20 5 HIBDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000150214847 853640173 /nfs/dbraw/zinc/64/01/73/853640173.db2.gz XSIZMDVRRACRJE-FQEVSTJZSA-N 1 0 413.474 4.086 20 5 HIBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000195600950 853706725 /nfs/dbraw/zinc/70/67/25/853706725.db2.gz GGUQFSDSCYKWFQ-UHFFFAOYSA-N 1 0 421.291 4.032 20 5 HIBDRO CSc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000195724771 853779302 /nfs/dbraw/zinc/77/93/02/853779302.db2.gz IWPIZTUUAISLIR-UHFFFAOYSA-N 1 0 407.923 4.174 20 5 HIBDRO CC(C)N1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000236615631 853902779 /nfs/dbraw/zinc/90/27/79/853902779.db2.gz BSHAKBVSBCKPRH-MRXNPFEDSA-N 1 0 403.866 4.139 20 5 HIBDRO CC(C)(C)C(=O)NCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236794261 853923503 /nfs/dbraw/zinc/92/35/03/853923503.db2.gz CADQCGYSBKXDEH-UHFFFAOYSA-N 1 0 405.882 4.292 20 5 HIBDRO CCN(CC)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000236897335 853934103 /nfs/dbraw/zinc/93/41/03/853934103.db2.gz IJGJPRNFHYTMGK-HXUWFJFHSA-N 1 0 413.547 4.230 20 5 HIBDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237015640 853951148 /nfs/dbraw/zinc/95/11/48/853951148.db2.gz QTXZYTJBEOIUEV-HXUWFJFHSA-N 1 0 409.511 4.112 20 5 HIBDRO CN(C)[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000237039268 853955792 /nfs/dbraw/zinc/95/57/92/853955792.db2.gz FOBQAIZASDLOJI-LJQANCHMSA-N 1 0 400.479 4.250 20 5 HIBDRO COc1cc(C[NH2+]CCc2c(C)noc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237192049 853978820 /nfs/dbraw/zinc/97/88/20/853978820.db2.gz PCACCYCKZJGVNK-UHFFFAOYSA-N 1 0 411.458 4.120 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000237201597 853981342 /nfs/dbraw/zinc/98/13/42/853981342.db2.gz SGOPUBABMJTRGE-UHFFFAOYSA-N 1 0 406.364 4.098 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)cc1[N+](=O)[O-] ZINC000237262792 853992891 /nfs/dbraw/zinc/99/28/91/853992891.db2.gz XJLOXTWUIMQSII-UHFFFAOYSA-N 1 0 409.417 4.285 20 5 HIBDRO COc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)ccn1 ZINC000237262703 853993458 /nfs/dbraw/zinc/99/34/58/853993458.db2.gz CELOVQMKIKNODI-UHFFFAOYSA-N 1 0 418.247 4.311 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCCc3c2cnn3C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237415580 854027941 /nfs/dbraw/zinc/02/79/41/854027941.db2.gz VMXKLPHDBDFDON-FQEVSTJZSA-N 1 0 422.485 4.083 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(-n4cccn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237420750 854028976 /nfs/dbraw/zinc/02/89/76/854028976.db2.gz SUGQNWSIQQFDNR-UHFFFAOYSA-N 1 0 404.426 4.339 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)OCCO4)o2)c([N+](=O)[O-])c1 ZINC000237423593 854030076 /nfs/dbraw/zinc/03/00/76/854030076.db2.gz GJWZUSXZYAPWPK-AWEZNQCLSA-N 1 0 410.426 4.485 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H](C(=O)NC(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000237440527 854033421 /nfs/dbraw/zinc/03/34/21/854033421.db2.gz YSOOTHJPHBNCSC-CVEARBPZSA-N 1 0 415.490 4.036 20 5 HIBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000237562088 854055517 /nfs/dbraw/zinc/05/55/17/854055517.db2.gz YXACQWXTUGPKSH-CQSZACIVSA-N 1 0 400.866 4.206 20 5 HIBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CN1C1CC1 ZINC000237718300 854083158 /nfs/dbraw/zinc/08/31/58/854083158.db2.gz OSVJLQDEMWFHJC-STQMWFEESA-N 1 0 420.307 4.332 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000237892835 854115748 /nfs/dbraw/zinc/11/57/48/854115748.db2.gz VDFZBFPHUYNRBM-HWKANZROSA-N 1 0 406.408 4.280 20 5 HIBDRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000237918266 854119109 /nfs/dbraw/zinc/11/91/09/854119109.db2.gz BIBFUBWRRQXNCQ-HUUCEWRRSA-N 1 0 403.866 4.174 20 5 HIBDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000237914711 854119154 /nfs/dbraw/zinc/11/91/54/854119154.db2.gz IZUOWQNUJNGWIS-UHFFFAOYSA-N 1 0 422.510 4.113 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)s1 ZINC000237958126 854125156 /nfs/dbraw/zinc/12/51/56/854125156.db2.gz STHLNURLKAHAPD-UHFFFAOYSA-N 1 0 415.559 4.448 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCc3nnc4n3CCCCC4)s2)cc1 ZINC000238000835 854131021 /nfs/dbraw/zinc/13/10/21/854131021.db2.gz YLFOVCPYSKRLTC-UHFFFAOYSA-N 1 0 411.531 4.364 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3nccn3Cc3ccccc3)cs2)c1 ZINC000238006651 854132941 /nfs/dbraw/zinc/13/29/41/854132941.db2.gz WSHZWUQYVUJFMT-UHFFFAOYSA-N 1 0 419.510 4.295 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2[N+](=O)[O-])n1 ZINC000247955828 854169559 /nfs/dbraw/zinc/16/95/59/854169559.db2.gz LYNIKFQRXJGGLE-UHFFFAOYSA-N 1 0 420.560 4.117 20 5 HIBDRO C[NH+]1CCN(C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301147332 854312136 /nfs/dbraw/zinc/31/21/36/854312136.db2.gz HNGPTLHVMNXVKK-SFHVURJKSA-N 1 0 408.424 4.014 20 5 HIBDRO C[C@@H](c1nnc(Sc2ncc([N+](=O)[O-])cc2Cl)n1-c1ccc(F)cc1)N(C)C ZINC000301279099 854346875 /nfs/dbraw/zinc/34/68/75/854346875.db2.gz NDZUSMKUBKHZNT-JTQLQIEISA-N 1 0 422.873 4.137 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000301292026 854349988 /nfs/dbraw/zinc/34/99/88/854349988.db2.gz PUJJSBMNOVRQBF-SNVBAGLBSA-N 1 0 413.425 4.158 20 5 HIBDRO Cc1nn(C)c(NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000301294380 854350533 /nfs/dbraw/zinc/35/05/33/854350533.db2.gz QVEAQZGRULPKGA-PBHICJAKSA-N 1 0 411.428 4.151 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301670989 854441879 /nfs/dbraw/zinc/44/18/79/854441879.db2.gz FJNCAZYRGIBNSZ-HZPDHXFCSA-N 1 0 424.501 4.016 20 5 HIBDRO O=[N+]([O-])c1cc(Br)cnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000301691815 854446446 /nfs/dbraw/zinc/44/64/46/854446446.db2.gz NZJOESJAEISHSO-ALOPSCKCSA-N 1 0 417.307 4.360 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301851393 854476421 /nfs/dbraw/zinc/47/64/21/854476421.db2.gz ANQSUTOPNPZIKK-MEDUHNTESA-N 1 0 411.325 4.309 20 5 HIBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000301851836 854476561 /nfs/dbraw/zinc/47/65/61/854476561.db2.gz GEMLOCWGZXNBFU-INIZCTEOSA-N 1 0 424.530 4.447 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000302609454 854592276 /nfs/dbraw/zinc/59/22/76/854592276.db2.gz DTOBOQADIMXNJY-OAHLLOKOSA-N 1 0 403.504 4.116 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000302609451 854592753 /nfs/dbraw/zinc/59/27/53/854592753.db2.gz DTOBOQADIMXNJY-HNNXBMFYSA-N 1 0 403.504 4.116 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000303279743 854849308 /nfs/dbraw/zinc/84/93/08/854849308.db2.gz IIBLUOJRGALVOS-UHFFFAOYSA-N 1 0 401.894 4.199 20 5 HIBDRO C[C@@H]1C[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000303805251 855209758 /nfs/dbraw/zinc/20/97/58/855209758.db2.gz XSACQITYOSLJID-DYESRHJHSA-N 1 0 421.501 4.130 20 5 HIBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000409727251 855622845 /nfs/dbraw/zinc/62/28/45/855622845.db2.gz KIUNFICHULUBQR-UHFFFAOYSA-N 1 0 400.426 4.171 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410365646 855953807 /nfs/dbraw/zinc/95/38/07/855953807.db2.gz FDNBJJBHNUVGRD-INIZCTEOSA-N 1 0 412.490 4.157 20 5 HIBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426095521 856104436 /nfs/dbraw/zinc/10/44/36/856104436.db2.gz FILXVOHXHKKYCH-IBGZPJMESA-N 1 0 411.502 4.024 20 5 HIBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426095522 856104675 /nfs/dbraw/zinc/10/46/75/856104675.db2.gz FILXVOHXHKKYCH-LJQANCHMSA-N 1 0 411.502 4.024 20 5 HIBDRO CCCC[NH+]1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000426316190 856241035 /nfs/dbraw/zinc/24/10/35/856241035.db2.gz CDIMLUPDDYICPY-UHFFFAOYSA-N 1 0 411.502 4.168 20 5 HIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427495516 856841075 /nfs/dbraw/zinc/84/10/75/856841075.db2.gz OVYYIJCBKDBDRC-UHFFFAOYSA-N 1 0 406.442 4.005 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000428730956 857312492 /nfs/dbraw/zinc/31/24/92/857312492.db2.gz XHWBFCNBGYRYHS-ROUUACIJSA-N 1 0 405.564 4.289 20 5 HIBDRO CC(C)([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)c1ccccc1[N+](=O)[O-] ZINC000429259574 857579757 /nfs/dbraw/zinc/57/97/57/857579757.db2.gz YLANBYABROXKJP-UHFFFAOYSA-N 1 0 411.531 4.128 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000429422419 857657444 /nfs/dbraw/zinc/65/74/44/857657444.db2.gz ZENNVPUDWCIJHT-ZBFHGGJFSA-N 1 0 407.308 4.168 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000429422408 857657693 /nfs/dbraw/zinc/65/76/93/857657693.db2.gz ZENNVPUDWCIJHT-GDBMZVCRSA-N 1 0 407.308 4.168 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000429422720 857659044 /nfs/dbraw/zinc/65/90/44/857659044.db2.gz ZZKCFKCWAZHMNE-GDBMZVCRSA-N 1 0 407.308 4.168 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000429435203 857666293 /nfs/dbraw/zinc/66/62/93/857666293.db2.gz SQXAKYPKIPSLNL-GJZGRUSLSA-N 1 0 407.308 4.168 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000430142866 858052078 /nfs/dbraw/zinc/05/20/78/858052078.db2.gz ASCBQQXEOMJJJU-YVEFUNNKSA-N 1 0 411.271 4.141 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000430203819 858081519 /nfs/dbraw/zinc/08/15/19/858081519.db2.gz GQBFYGKWXXBAHO-OAHLLOKOSA-N 1 0 406.442 4.102 20 5 HIBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)c1ccccc1 ZINC000430867914 858347215 /nfs/dbraw/zinc/34/72/15/858347215.db2.gz UIONSVOEFVETJJ-QGZVFWFLSA-N 1 0 422.510 4.203 20 5 HIBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000430874657 858349840 /nfs/dbraw/zinc/34/98/40/858349840.db2.gz FZRDCWIAMVEVSX-SFHVURJKSA-N 1 0 405.454 4.340 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000431022319 858406790 /nfs/dbraw/zinc/40/67/90/858406790.db2.gz NHTNZOUHCZOLNW-ZDUSSCGKSA-N 1 0 420.307 4.217 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431071760 858434582 /nfs/dbraw/zinc/43/45/82/858434582.db2.gz BUXRNXOULCYAIF-HOCLYGCPSA-N 1 0 402.882 4.423 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000431564632 858672398 /nfs/dbraw/zinc/67/23/98/858672398.db2.gz MDXTWHIMCJRVLU-UHFFFAOYSA-N 1 0 419.569 4.029 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000431662241 858721013 /nfs/dbraw/zinc/72/10/13/858721013.db2.gz PTPZMAFHSGOBAY-KRWDZBQOSA-N 1 0 410.518 4.355 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000431662242 858721230 /nfs/dbraw/zinc/72/12/30/858721230.db2.gz PTPZMAFHSGOBAY-QGZVFWFLSA-N 1 0 410.518 4.355 20 5 HIBDRO C[C@@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 ZINC000431845479 858837934 /nfs/dbraw/zinc/83/79/34/858837934.db2.gz OVTFEVRAUJMKBO-LJQANCHMSA-N 1 0 422.529 4.354 20 5 HIBDRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433154573 859544044 /nfs/dbraw/zinc/54/40/44/859544044.db2.gz ZVBMKHALJOOHGY-SFHVURJKSA-N 1 0 408.907 4.034 20 5 HIBDRO Cn1cc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433177981 859556795 /nfs/dbraw/zinc/55/67/95/859556795.db2.gz BICJGSDMAZKPHH-GOSISDBHSA-N 1 0 405.502 4.002 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434899928 860544518 /nfs/dbraw/zinc/54/45/18/860544518.db2.gz KWOWFPKZNWSHSG-UHFFFAOYSA-N 1 0 415.877 4.375 20 5 HIBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000435750138 861030680 /nfs/dbraw/zinc/03/06/80/861030680.db2.gz BDDQCSMXZZSVKD-UHFFFAOYSA-N 1 0 410.449 4.094 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435836785 861097930 /nfs/dbraw/zinc/09/79/30/861097930.db2.gz RTZCBCCKPFXICB-XMMPIXPASA-N 1 0 411.505 4.248 20 5 HIBDRO Cc1ccc(-c2ccc(C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C(C)C)s2)cc1 ZINC000438831100 864325242 /nfs/dbraw/zinc/32/52/42/864325242.db2.gz IVMLGCKKQXDXJO-IBGZPJMESA-N 1 0 414.531 4.100 20 5 HIBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1(C)C ZINC000439510080 864857849 /nfs/dbraw/zinc/85/78/49/864857849.db2.gz FWIDPTQBEAELLW-OTWHNJEPSA-N 1 0 417.893 4.331 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439528961 864865480 /nfs/dbraw/zinc/86/54/80/864865480.db2.gz GDDAYFITDBRNJL-FQEVSTJZSA-N 1 0 410.518 4.240 20 5 HIBDRO CC(C)(C[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cccc1Cl ZINC000439654438 864981038 /nfs/dbraw/zinc/98/10/38/864981038.db2.gz YVFWVIQXDBWMRU-QGZVFWFLSA-N 1 0 405.857 4.060 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000440539294 865810109 /nfs/dbraw/zinc/81/01/09/865810109.db2.gz UFPRNFUNOFMNJH-LJQANCHMSA-N 1 0 422.529 4.153 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000440544654 865813400 /nfs/dbraw/zinc/81/34/00/865813400.db2.gz HQUFQYANFPMNHM-GOSISDBHSA-N 1 0 415.921 4.161 20 5 HIBDRO C[C@H](OC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441257030 866330372 /nfs/dbraw/zinc/33/03/72/866330372.db2.gz ANMSANZZOVISGC-YWZLYKJASA-N 1 0 404.894 4.351 20 5 HIBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442805169 867681166 /nfs/dbraw/zinc/68/11/66/867681166.db2.gz ZCFXJTIIMVONMD-QGZVFWFLSA-N 1 0 411.527 4.493 20 5 HIBDRO COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071805 867809599 /nfs/dbraw/zinc/80/95/99/867809599.db2.gz QPRREAFBTFDBJW-OXQOHEQNSA-N 1 0 400.475 4.182 20 5 HIBDRO CO[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000443076551 867812985 /nfs/dbraw/zinc/81/29/85/867812985.db2.gz YAWXNHFZUVZTJH-JTSKRJEESA-N 1 0 406.486 4.447 20 5 HIBDRO C[N@H+](CC1(O)CCCC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443867882 868399340 /nfs/dbraw/zinc/39/93/40/868399340.db2.gz KVKDMLCWMZYIKZ-LJQANCHMSA-N 1 0 417.893 4.165 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000443950523 868486723 /nfs/dbraw/zinc/48/67/23/868486723.db2.gz RAMNNTUEANQRPJ-UHFFFAOYSA-N 1 0 402.520 4.307 20 5 HIBDRO O=C(c1ccccc1[N+](=O)[O-])N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000443984885 868508827 /nfs/dbraw/zinc/50/88/27/868508827.db2.gz FLGIYSQYWGKGQR-QGZVFWFLSA-N 1 0 421.419 4.121 20 5 HIBDRO C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@H+](C)Cc1ccccc1 ZINC000444004970 868526920 /nfs/dbraw/zinc/52/69/20/868526920.db2.gz UFRBAKHHEYCMRL-INIZCTEOSA-N 1 0 417.484 4.071 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444177337 868649782 /nfs/dbraw/zinc/64/97/82/868649782.db2.gz UZYJEEGTGNGAMF-AEFFLSMTSA-N 1 0 408.458 4.245 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444787450 869004027 /nfs/dbraw/zinc/00/40/27/869004027.db2.gz RFXQAVDHQZXPLM-QGZVFWFLSA-N 1 0 422.485 4.023 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444787349 869004670 /nfs/dbraw/zinc/00/46/70/869004670.db2.gz RFXQAVDHQZXPLM-KRWDZBQOSA-N 1 0 422.485 4.023 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444828992 869037547 /nfs/dbraw/zinc/03/75/47/869037547.db2.gz PQXVDKQTSLGTQX-QHCPKHFHSA-N 1 0 411.505 4.248 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445001585 869156638 /nfs/dbraw/zinc/15/66/38/869156638.db2.gz VLVSVDOGNUDRRP-RTBURBONSA-N 1 0 417.553 4.408 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000445014601 869166624 /nfs/dbraw/zinc/16/66/24/869166624.db2.gz XBMFBIKDRIURIR-UHFFFAOYSA-N 1 0 405.542 4.265 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000445195475 869269953 /nfs/dbraw/zinc/26/99/53/869269953.db2.gz VIKZAJPMRVXVMB-UHFFFAOYSA-N 1 0 419.909 4.207 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000445987783 869951556 /nfs/dbraw/zinc/95/15/56/869951556.db2.gz IOVSRQOFSZKEME-IRXDYDNUSA-N 1 0 407.392 4.138 20 5 HIBDRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446837956 870756211 /nfs/dbraw/zinc/75/62/11/870756211.db2.gz CMZVEWQUPBVGOU-JTQLQIEISA-N 1 0 407.243 4.094 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cc(Cl)ccc2OC(F)F)n1 ZINC000447526588 871390308 /nfs/dbraw/zinc/39/03/08/871390308.db2.gz DCSYIZCDYRKPPB-KGLIPLIRSA-N 1 0 400.813 4.320 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cc(Cl)ccc2OC(F)F)n1 ZINC000447526587 871391625 /nfs/dbraw/zinc/39/16/25/871391625.db2.gz DCSYIZCDYRKPPB-KBPBESRZSA-N 1 0 400.813 4.320 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)CCC2 ZINC000447529188 871393550 /nfs/dbraw/zinc/39/35/50/871393550.db2.gz KUEDAKKYQCIQEX-QFBILLFUSA-N 1 0 410.392 4.021 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cc(Br)ccc2F)n1 ZINC000447531055 871395366 /nfs/dbraw/zinc/39/53/66/871395366.db2.gz OGWWCXVMOGXOAO-HZPDHXFCSA-N 1 0 411.275 4.009 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccccc1 ZINC000447541839 871408386 /nfs/dbraw/zinc/40/83/86/871408386.db2.gz NUPVNDQMVDMZHY-NHCUHLMSSA-N 1 0 419.485 4.317 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccnc(OCc3ccccc3)c2)n1 ZINC000447545012 871412489 /nfs/dbraw/zinc/41/24/89/871412489.db2.gz QEAFOCFRMPOHHJ-VQTJNVASSA-N 1 0 407.474 4.039 20 5 HIBDRO COc1cccc(Oc2ccc(C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cn2)c1 ZINC000447560387 871450355 /nfs/dbraw/zinc/45/03/55/871450355.db2.gz CPXMOXKFDUVKRN-WOJBJXKFSA-N 1 0 423.473 4.261 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000447570037 871467876 /nfs/dbraw/zinc/46/78/76/871467876.db2.gz RHCCBINECHPDIY-JKSUJKDBSA-N 1 0 411.531 4.376 20 5 HIBDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447574269 871472806 /nfs/dbraw/zinc/47/28/06/871472806.db2.gz MEPKFHQWCBJNRK-WOJBJXKFSA-N 1 0 408.506 4.374 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc(COCC(F)(F)F)c2)n1 ZINC000447582878 871485398 /nfs/dbraw/zinc/48/53/98/871485398.db2.gz ACIJAWJRIUPGPC-SJORKVTESA-N 1 0 412.412 4.144 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCc2nc(-c3ccncc3)cs2)n1 ZINC000447583477 871489951 /nfs/dbraw/zinc/48/99/51/871489951.db2.gz BNLDHSMFGLNCMM-SJLPKXTDSA-N 1 0 412.519 4.016 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cc3cc(Br)ccc3[nH]2)n1 ZINC000447600094 871508309 /nfs/dbraw/zinc/50/83/09/871508309.db2.gz LRXAKUJLQYNLGX-IRXDYDNUSA-N 1 0 418.295 4.309 20 5 HIBDRO COc1ccccc1[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC(C)C ZINC000447603202 871510588 /nfs/dbraw/zinc/51/05/88/871510588.db2.gz VSDHURQONQRDDV-NSHGMRRFSA-N 1 0 402.495 4.040 20 5 HIBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cccc21 ZINC000447733577 871684272 /nfs/dbraw/zinc/68/42/72/871684272.db2.gz ZPSRFJSCEDFDBQ-OAHLLOKOSA-N 1 0 409.364 4.251 20 5 HIBDRO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447886229 871800899 /nfs/dbraw/zinc/80/08/99/871800899.db2.gz OTIOKJLAYFPDIZ-MDOVXXIYSA-N 1 0 417.893 4.333 20 5 HIBDRO C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448364915 872314483 /nfs/dbraw/zinc/31/44/83/872314483.db2.gz HLBSJHLYIJACKZ-GOSISDBHSA-N 1 0 411.502 4.133 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438638 874490578 /nfs/dbraw/zinc/49/05/78/874490578.db2.gz YZBPPYCKGFFJDA-XPWALMASSA-N 1 0 421.541 4.144 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)cc1 ZINC000468843308 882886370 /nfs/dbraw/zinc/88/63/70/882886370.db2.gz GGAYGAVIPQHVFF-LJQANCHMSA-N 1 0 408.907 4.153 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1[N+](=O)[O-] ZINC000468841748 882886377 /nfs/dbraw/zinc/88/63/77/882886377.db2.gz FUGFPLMVOMSHAS-AWEZNQCLSA-N 1 0 415.881 4.387 20 5 HIBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1OC(F)F ZINC000462366800 875479128 /nfs/dbraw/zinc/47/91/28/875479128.db2.gz AYSTUZHLKQPIMR-UHFFFAOYSA-N 1 0 420.460 4.211 20 5 HIBDRO Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C2)[nH+]1 ZINC000462492911 875603800 /nfs/dbraw/zinc/60/38/00/875603800.db2.gz WDEFJRIAGWGHKM-IBGZPJMESA-N 1 0 419.485 4.211 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000462501737 875617516 /nfs/dbraw/zinc/61/75/16/875617516.db2.gz MZMQZLFVQXHTMK-FXXYKOEOSA-N 1 0 421.541 4.475 20 5 HIBDRO CO[C@@](C)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000462914926 875941174 /nfs/dbraw/zinc/94/11/74/875941174.db2.gz RYCDSABMYYGZDW-QHCPKHFHSA-N 1 0 406.486 4.352 20 5 HIBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[NH+]2CCCC2)cc1 ZINC000462929349 875958084 /nfs/dbraw/zinc/95/80/84/875958084.db2.gz ZVHQBXGKUDTYHU-GOSISDBHSA-N 1 0 407.417 4.454 20 5 HIBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000462941378 875964369 /nfs/dbraw/zinc/96/43/69/875964369.db2.gz AGGBDBQABWVVCT-ZDUSSCGKSA-N 1 0 407.312 4.074 20 5 HIBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC000462945375 875966302 /nfs/dbraw/zinc/96/63/02/875966302.db2.gz OTAIJYVHJUCSLI-SFHVURJKSA-N 1 0 410.518 4.324 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000463091548 876124834 /nfs/dbraw/zinc/12/48/34/876124834.db2.gz ZQVDKKSBXSFXFR-QGZVFWFLSA-N 1 0 423.435 4.297 20 5 HIBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463099188 876133521 /nfs/dbraw/zinc/13/35/21/876133521.db2.gz OTLIRAZYYFGMOW-UHFFFAOYSA-N 1 0 421.419 4.051 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000463490414 876548703 /nfs/dbraw/zinc/54/87/03/876548703.db2.gz MARQYGJPDPICKJ-ZDUSSCGKSA-N 1 0 409.408 4.473 20 5 HIBDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463520743 876588356 /nfs/dbraw/zinc/58/83/56/876588356.db2.gz VYRAYHJQPFXXQN-KRWDZBQOSA-N 1 0 421.419 4.398 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[NH+](C)C ZINC000464406610 877609647 /nfs/dbraw/zinc/60/96/47/877609647.db2.gz OFIQSEXXVSHVMS-FZKQIMNGSA-N 1 0 409.408 4.343 20 5 HIBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464609175 877836070 /nfs/dbraw/zinc/83/60/70/877836070.db2.gz OZPPGEDEGCNKLT-AAEUAGOBSA-N 1 0 407.902 4.186 20 5 HIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779240 878023733 /nfs/dbraw/zinc/02/37/33/878023733.db2.gz UIOROIHXWWPLNW-GDBMZVCRSA-N 1 0 420.560 4.263 20 5 HIBDRO CSc1ccccc1NC(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783238 878030044 /nfs/dbraw/zinc/03/00/44/878030044.db2.gz IDSRDKUMTZHKCA-UHFFFAOYSA-N 1 0 415.515 4.189 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000465184722 878575433 /nfs/dbraw/zinc/57/54/33/878575433.db2.gz KVIPZFUKEUFTJV-KRWDZBQOSA-N 1 0 411.502 4.232 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)C1 ZINC000465191606 878587615 /nfs/dbraw/zinc/58/76/15/878587615.db2.gz MCFYGQISQIKRIE-HNNXBMFYSA-N 1 0 409.442 4.314 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503381935 912365254 /nfs/dbraw/zinc/36/52/54/912365254.db2.gz GGFFAGVIZGSSGJ-ZUOKHONESA-N 1 0 403.866 4.110 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H]2CCCC23CCOCC3)cc1OC ZINC000503431784 912432704 /nfs/dbraw/zinc/43/27/04/912432704.db2.gz GKHVVCRVEBXPLI-HRAATJIYSA-N 1 0 406.523 4.467 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466229595 879930709 /nfs/dbraw/zinc/93/07/09/879930709.db2.gz VJCJWMKSTHYRCY-HNNXBMFYSA-N 1 0 416.909 4.273 20 5 HIBDRO C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 ZINC000466597743 880367258 /nfs/dbraw/zinc/36/72/58/880367258.db2.gz PGQVQZQEHWSGJP-UHFFFAOYSA-N 1 0 405.907 4.223 20 5 HIBDRO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000503526613 912578046 /nfs/dbraw/zinc/57/80/46/912578046.db2.gz GZAZIYQOQHUKFE-SCLBCKFNSA-N 1 0 424.423 4.104 20 5 HIBDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000467191378 880918621 /nfs/dbraw/zinc/91/86/21/880918621.db2.gz MFUQSNFVGVDNMX-UHFFFAOYSA-N 1 0 421.501 4.166 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467222925 880952530 /nfs/dbraw/zinc/95/25/30/880952530.db2.gz NBWJCAPWOUBYKH-UHFFFAOYSA-N 1 0 416.909 4.234 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000469283666 883380213 /nfs/dbraw/zinc/38/02/13/883380213.db2.gz YDDYRMUDJGMXMG-IFXJQAMLSA-N 1 0 403.429 4.023 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000469764120 883933314 /nfs/dbraw/zinc/93/33/14/883933314.db2.gz LGHZPYTWYCUXEC-SFHVURJKSA-N 1 0 423.435 4.310 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000470136360 884400529 /nfs/dbraw/zinc/40/05/29/884400529.db2.gz GHVYQNYZHKSVNH-DNVCBOLYSA-N 1 0 400.454 4.251 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000470170044 884448329 /nfs/dbraw/zinc/44/83/29/884448329.db2.gz NRMWGKLQYFRBST-PTNGSMBKSA-N 1 0 414.893 4.397 20 5 HIBDRO CCN1CCC[C@@H](C[N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216737 884543624 /nfs/dbraw/zinc/54/36/24/884543624.db2.gz BPTZZYSNNMUQRD-ZBVVHHPNSA-N 1 0 411.550 4.137 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503944769 912877055 /nfs/dbraw/zinc/87/70/55/912877055.db2.gz IIHDKCPHKIXQGT-VQIMIIECSA-N 1 0 400.475 4.087 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 ZINC000470599574 885025538 /nfs/dbraw/zinc/02/55/38/885025538.db2.gz JXHSHHZTDYUQAZ-SFHVURJKSA-N 1 0 420.391 4.128 20 5 HIBDRO C[C@H](CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000471456115 886132029 /nfs/dbraw/zinc/13/20/29/886132029.db2.gz XIMWHGFRFFZXQZ-SJORKVTESA-N 1 0 401.532 4.102 20 5 HIBDRO COc1ccccc1[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000472080551 886881317 /nfs/dbraw/zinc/88/13/17/886881317.db2.gz QFTQNKHBJVLAMA-QFIPXVFZSA-N 1 0 424.501 4.260 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472290443 887110238 /nfs/dbraw/zinc/11/02/38/887110238.db2.gz BXXUBBFEPIMSRR-NRFANRHFSA-N 1 0 410.518 4.037 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@]2(c3ccccc3)CCCCC2=O)cccc1[N+](=O)[O-] ZINC000472636521 887501125 /nfs/dbraw/zinc/50/11/25/887501125.db2.gz PSGZMMDRHAIPFM-QHCPKHFHSA-N 1 0 409.486 4.202 20 5 HIBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000473270725 888029081 /nfs/dbraw/zinc/02/90/81/888029081.db2.gz QVRHNWJRYVSFFY-UHFFFAOYSA-N 1 0 416.909 4.279 20 5 HIBDRO CC(C)(C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000473506108 888233520 /nfs/dbraw/zinc/23/35/20/888233520.db2.gz KDLBMJAXZSLLBU-VWLOTQADSA-N 1 0 421.541 4.387 20 5 HIBDRO COc1cc(C[NH2+]CC2(C)CCC(OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475193232 890063868 /nfs/dbraw/zinc/06/38/68/890063868.db2.gz BNRVASRVEZCZDW-UHFFFAOYSA-N 1 0 420.428 4.229 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Cl)c1 ZINC000475421860 890343251 /nfs/dbraw/zinc/34/32/51/890343251.db2.gz BKZVNCXMXPWMSP-UHFFFAOYSA-N 1 0 410.301 4.470 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000475500940 890410733 /nfs/dbraw/zinc/41/07/33/890410733.db2.gz HSPZHZSOGQYZNY-FQEVSTJZSA-N 1 0 406.486 4.088 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000475565527 890496008 /nfs/dbraw/zinc/49/60/08/890496008.db2.gz QBSHCUFENJGHAL-UHFFFAOYSA-N 1 0 404.898 4.461 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000477158408 892080816 /nfs/dbraw/zinc/08/08/16/892080816.db2.gz DFEPAGANKIXDND-HSZRJFAPSA-N 1 0 408.502 4.342 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1[N+](=O)[O-] ZINC000504905083 913638365 /nfs/dbraw/zinc/63/83/65/913638365.db2.gz BUXNKWGCQFWBRS-QGZVFWFLSA-N 1 0 407.470 4.054 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000477313804 892277305 /nfs/dbraw/zinc/27/73/05/892277305.db2.gz ANDWPDJCYKSVNF-UHFFFAOYSA-N 1 0 401.894 4.473 20 5 HIBDRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477457685 892416754 /nfs/dbraw/zinc/41/67/54/892416754.db2.gz HYLCTJNLEJTAPA-UHFFFAOYSA-N 1 0 424.682 4.228 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000477931589 893020938 /nfs/dbraw/zinc/02/09/38/893020938.db2.gz ZOFBXBPRBNKDSI-FIKGOQFSSA-N 1 0 404.457 4.025 20 5 HIBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000478006084 893110913 /nfs/dbraw/zinc/11/09/13/893110913.db2.gz XYUTXZIEPYBHAK-CQSZACIVSA-N 1 0 411.325 4.113 20 5 HIBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504993591 913737775 /nfs/dbraw/zinc/73/77/75/913737775.db2.gz DQBIRIZSQUOJJX-HXUWFJFHSA-N 1 0 411.502 4.120 20 5 HIBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478196977 893358524 /nfs/dbraw/zinc/35/85/24/893358524.db2.gz NCMBVNUFIWTVCM-UHFFFAOYSA-N 1 0 400.454 4.161 20 5 HIBDRO CC(C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+]1CCC(C)CC1 ZINC000478288452 893498528 /nfs/dbraw/zinc/49/85/28/893498528.db2.gz QWPDUDKHHMGVCU-DEOSSOPVSA-N 1 0 419.569 4.027 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000478359653 893612269 /nfs/dbraw/zinc/61/22/69/893612269.db2.gz KQVUSRCJMIAOKH-INIZCTEOSA-N 1 0 405.564 4.433 20 5 HIBDRO Cc1c(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000478788061 894063725 /nfs/dbraw/zinc/06/37/25/894063725.db2.gz QSIYRQFIEQOVJE-KRWDZBQOSA-N 1 0 410.518 4.277 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000505135438 913835891 /nfs/dbraw/zinc/83/58/91/913835891.db2.gz TWYXGOQPVQQEHP-UHFFFAOYSA-N 1 0 413.440 4.387 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(NC[C@]3([NH+](C)C)CCSC3)c([N+](=O)[O-])c2)cc1 ZINC000479454969 894775505 /nfs/dbraw/zinc/77/55/05/894775505.db2.gz PZSGXGVRZDILPD-OAQYLSRUSA-N 1 0 414.531 4.005 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000479477064 894800372 /nfs/dbraw/zinc/80/03/72/894800372.db2.gz RJGZTBCOFVRSBI-NVPAJSRCSA-N 1 0 415.456 4.449 20 5 HIBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505267253 913925026 /nfs/dbraw/zinc/92/50/26/913925026.db2.gz DQLVCOGRGJWBDJ-UHFFFAOYSA-N 1 0 424.339 4.086 20 5 HIBDRO Cc1c(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000480060625 895408246 /nfs/dbraw/zinc/40/82/46/895408246.db2.gz ARQOETIWVXMGEA-XMMPIXPASA-N 1 0 422.529 4.101 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480260586 895668665 /nfs/dbraw/zinc/66/86/65/895668665.db2.gz JDAOXDHFWJERQK-IERDGZPVSA-N 1 0 403.910 4.281 20 5 HIBDRO CCC[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000480284257 895688242 /nfs/dbraw/zinc/68/82/42/895688242.db2.gz QZZPAIJYETXKPT-QFIPXVFZSA-N 1 0 410.518 4.129 20 5 HIBDRO CCC[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000480284256 895688698 /nfs/dbraw/zinc/68/86/98/895688698.db2.gz QZZPAIJYETXKPT-JOCHJYFZSA-N 1 0 410.518 4.129 20 5 HIBDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000480459196 895845286 /nfs/dbraw/zinc/84/52/86/895845286.db2.gz HFHSMTUFQWDLAJ-ZHRRBRCNSA-N 1 0 411.527 4.438 20 5 HIBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000480674297 896038905 /nfs/dbraw/zinc/03/89/05/896038905.db2.gz YADLIPYHHVEPQM-WFXMLNOXSA-N 1 0 416.543 4.066 20 5 HIBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481283346 896630120 /nfs/dbraw/zinc/63/01/20/896630120.db2.gz LTWJIJCPSCKKJY-MSOLQXFVSA-N 1 0 415.877 4.397 20 5 HIBDRO CNC(=O)C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000481816636 897189929 /nfs/dbraw/zinc/18/99/29/897189929.db2.gz PPUHKYXKLJEMOF-HXUWFJFHSA-N 1 0 423.444 4.493 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000482088489 897531340 /nfs/dbraw/zinc/53/13/40/897531340.db2.gz MUXSZZJBYWPOEY-CQSZACIVSA-N 1 0 420.307 4.136 20 5 HIBDRO C[C@@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000482109223 897558755 /nfs/dbraw/zinc/55/87/55/897558755.db2.gz SGFZHWQBPDROCI-FOIQADDNSA-N 1 0 423.435 4.338 20 5 HIBDRO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000482501248 898082310 /nfs/dbraw/zinc/08/23/10/898082310.db2.gz IZXVOZHAUHEYGS-OAHLLOKOSA-N 1 0 415.465 4.263 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000482661627 898265186 /nfs/dbraw/zinc/26/51/86/898265186.db2.gz IXWDANRZSATRRZ-CYBMUJFWSA-N 1 0 406.483 4.220 20 5 HIBDRO Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482793290 898400779 /nfs/dbraw/zinc/40/07/79/898400779.db2.gz RIDUBTYREWYOIY-CTNGQTDRSA-N 1 0 408.502 4.422 20 5 HIBDRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000482870313 898482943 /nfs/dbraw/zinc/48/29/43/898482943.db2.gz OUHBLHPODCKQPU-INIZCTEOSA-N 1 0 402.564 4.485 20 5 HIBDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000483430297 899061324 /nfs/dbraw/zinc/06/13/24/899061324.db2.gz IIRBUZHPHGIUIU-UHFFFAOYSA-N 1 0 408.458 4.341 20 5 HIBDRO Cn1cc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505614075 914317760 /nfs/dbraw/zinc/31/77/60/914317760.db2.gz VQCCFDOPBOZFAC-UHFFFAOYSA-N 1 0 402.401 4.229 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000483710565 899368080 /nfs/dbraw/zinc/36/80/80/899368080.db2.gz IABGUPZXHXGJDQ-UGSOOPFHSA-N 1 0 405.401 4.042 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000483812190 899490055 /nfs/dbraw/zinc/49/00/55/899490055.db2.gz YOOYJDFPUHHNIP-VLIAUNLRSA-N 1 0 406.885 4.149 20 5 HIBDRO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000484493093 899984461 /nfs/dbraw/zinc/98/44/61/899984461.db2.gz WOTNWWUBAOBTLY-UHFFFAOYSA-N 1 0 416.909 4.027 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000484902404 900282217 /nfs/dbraw/zinc/28/22/17/900282217.db2.gz XUOWBUYIJXIFIR-IBGZPJMESA-N 1 0 411.502 4.026 20 5 HIBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000484916436 900293519 /nfs/dbraw/zinc/29/35/19/900293519.db2.gz DRMSXPODTPMHHO-SFHVURJKSA-N 1 0 415.921 4.209 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000484950593 900318019 /nfs/dbraw/zinc/31/80/19/900318019.db2.gz XKNBGLQNCLKQOS-SFTDATJTSA-N 1 0 407.514 4.114 20 5 HIBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484969728 900329431 /nfs/dbraw/zinc/32/94/31/900329431.db2.gz NHRZWZJUMLSVHZ-DLBZAZTESA-N 1 0 415.877 4.397 20 5 HIBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485162935 900461958 /nfs/dbraw/zinc/46/19/58/900461958.db2.gz SRJHNLGMBCCQMB-ICSRJNTNSA-N 1 0 422.529 4.153 20 5 HIBDRO C[N@H+](CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1)C1CC1 ZINC000485474509 900768453 /nfs/dbraw/zinc/76/84/53/900768453.db2.gz LVBBHXRPIALGLS-UHFFFAOYSA-N 1 0 405.401 4.085 20 5 HIBDRO CSc1cccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517401 900801305 /nfs/dbraw/zinc/80/13/05/900801305.db2.gz SCZAXIMEYMJSKP-RDJZCZTQSA-N 1 0 423.897 4.284 20 5 HIBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1 ZINC000485834234 901081555 /nfs/dbraw/zinc/08/15/55/901081555.db2.gz WKAKZBXYPNPMRU-QGZVFWFLSA-N 1 0 424.270 4.200 20 5 HIBDRO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000485881672 901117752 /nfs/dbraw/zinc/11/77/52/901117752.db2.gz GHPLNCHEGDUZGH-WBVHZDCISA-N 1 0 417.456 4.100 20 5 HIBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3c(F)cccc3F)CC2)c([N+](=O)[O-])c1 ZINC000485908951 901137628 /nfs/dbraw/zinc/13/76/28/901137628.db2.gz QJSXAFVMTSPQPS-UHFFFAOYSA-N 1 0 419.428 4.090 20 5 HIBDRO CSc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225368 901408766 /nfs/dbraw/zinc/40/87/66/901408766.db2.gz MNQNYHKSPTZLHO-GUYCJALGSA-N 1 0 405.545 4.191 20 5 HIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c(F)c1 ZINC000486473079 901632545 /nfs/dbraw/zinc/63/25/45/901632545.db2.gz VAPYCRLWQJNLKK-VGOFRKELSA-N 1 0 408.433 4.338 20 5 HIBDRO CSc1cccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000486485956 901642804 /nfs/dbraw/zinc/64/28/04/901642804.db2.gz KYKUQTXAAHLMMV-MRXNPFEDSA-N 1 0 413.543 4.479 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000505925244 914573084 /nfs/dbraw/zinc/57/30/84/914573084.db2.gz QFYSKWZTFOUJAR-BZSNNMDCSA-N 1 0 405.564 4.188 20 5 HIBDRO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000487496686 902226270 /nfs/dbraw/zinc/22/62/70/902226270.db2.gz YZQSGCBWHGVUFJ-IBGZPJMESA-N 1 0 411.527 4.446 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487869186 902416468 /nfs/dbraw/zinc/41/64/68/902416468.db2.gz DHYIXISSRFWQOK-IRXDYDNUSA-N 1 0 423.941 4.130 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488458395 902834998 /nfs/dbraw/zinc/83/49/98/902834998.db2.gz BZGDFZYJNMVWMY-BEFAXECRSA-N 1 0 409.511 4.450 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000488943289 903091977 /nfs/dbraw/zinc/09/19/77/903091977.db2.gz RHEHDQCSDINEKR-UHFFFAOYSA-N 1 0 411.527 4.446 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000489605463 903494135 /nfs/dbraw/zinc/49/41/35/903494135.db2.gz BNNYETJIZCRJBG-QZTJIDSGSA-N 1 0 410.518 4.489 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000489878224 903647465 /nfs/dbraw/zinc/64/74/65/903647465.db2.gz XJVHRSXPIZYTMT-GOSISDBHSA-N 1 0 410.518 4.450 20 5 HIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000489966156 903701690 /nfs/dbraw/zinc/70/16/90/903701690.db2.gz OKJIHWBZUASOIM-UHFFFAOYSA-N 1 0 411.502 4.120 20 5 HIBDRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013327 903724913 /nfs/dbraw/zinc/72/49/13/903724913.db2.gz LTKBDVDEQJISOQ-SJORKVTESA-N 1 0 418.563 4.336 20 5 HIBDRO O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000490412177 903993877 /nfs/dbraw/zinc/99/38/77/903993877.db2.gz DOQRVUNGEROLGG-UHFFFAOYSA-N 1 0 419.481 4.381 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCn2cc(Br)cn2)c2ccccc2)c1 ZINC000490436967 904009044 /nfs/dbraw/zinc/00/90/44/904009044.db2.gz UCLJQJCDURQAAV-LJQANCHMSA-N 1 0 415.291 4.323 20 5 HIBDRO COc1cc(C[NH2+]CC2(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491037108 904389459 /nfs/dbraw/zinc/38/94/59/904389459.db2.gz NFZZTUFSKWIDFU-UHFFFAOYSA-N 1 0 410.392 4.208 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000491045217 904393796 /nfs/dbraw/zinc/39/37/96/904393796.db2.gz BAOPJOSZDDTPLC-QGZVFWFLSA-N 1 0 401.894 4.232 20 5 HIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000506147097 914824371 /nfs/dbraw/zinc/82/43/71/914824371.db2.gz HFDSPYXPSPGVOC-CQSZACIVSA-N 1 0 405.380 4.036 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc2)CC1 ZINC000491411011 904583340 /nfs/dbraw/zinc/58/33/40/904583340.db2.gz WOBVMRLHOPUIGC-QFIPXVFZSA-N 1 0 406.486 4.279 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)c2ccccc2)c1 ZINC000491424173 904590413 /nfs/dbraw/zinc/59/04/13/904590413.db2.gz SBUXEKUVCATWQX-RUZDIDTESA-N 1 0 417.509 4.306 20 5 HIBDRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506154228 914827006 /nfs/dbraw/zinc/82/70/06/914827006.db2.gz XNBXSJJWUWVGBB-UHFFFAOYSA-N 1 0 421.453 4.411 20 5 HIBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000491504147 904627606 /nfs/dbraw/zinc/62/76/06/904627606.db2.gz WTMGNVNJJUNHBE-UHFFFAOYSA-N 1 0 422.432 4.100 20 5 HIBDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000492939017 904960522 /nfs/dbraw/zinc/96/05/22/904960522.db2.gz XNDHLUSZQTYLJJ-FQEVSTJZSA-N 1 0 420.460 4.098 20 5 HIBDRO CN(C)C(=O)c1cccc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493011880 904988856 /nfs/dbraw/zinc/98/88/56/904988856.db2.gz WJKKDCHQXCLLOE-QHCPKHFHSA-N 1 0 403.482 4.218 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493084979 905016333 /nfs/dbraw/zinc/01/63/33/905016333.db2.gz ZLYJHJDCOYQZMO-GOSISDBHSA-N 1 0 410.518 4.270 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493312355 905084919 /nfs/dbraw/zinc/08/49/19/905084919.db2.gz XMVXBKOGRPLMST-HXUWFJFHSA-N 1 0 424.545 4.314 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000493705744 905200090 /nfs/dbraw/zinc/20/00/90/905200090.db2.gz IXFVXHRFYFBHIJ-LLVKDONJSA-N 1 0 416.371 4.419 20 5 HIBDRO C[C@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494070120 905408497 /nfs/dbraw/zinc/40/84/97/905408497.db2.gz VBPJHBIAJVOUHC-GUYCJALGSA-N 1 0 407.392 4.006 20 5 HIBDRO C[C@@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000494182112 905517309 /nfs/dbraw/zinc/51/73/09/905517309.db2.gz HOSUYMAAIOJXDM-FQEVSTJZSA-N 1 0 421.419 4.398 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427041 921154769 /nfs/dbraw/zinc/15/47/69/921154769.db2.gz KDVNNYPEWTTXQW-CTEOGUNLSA-N 1 0 412.465 4.281 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494458774 905741887 /nfs/dbraw/zinc/74/18/87/905741887.db2.gz SOUQRHWUKLMWKQ-XLIONFOSSA-N 1 0 403.866 4.005 20 5 HIBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512458324 921174247 /nfs/dbraw/zinc/17/42/47/921174247.db2.gz ZIIRWJFTMGMBPK-HXUWFJFHSA-N 1 0 424.545 4.347 20 5 HIBDRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000494481589 905763960 /nfs/dbraw/zinc/76/39/60/905763960.db2.gz HEMQNUNCQZDESO-SNVBAGLBSA-N 1 0 403.426 4.418 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494487464 905770904 /nfs/dbraw/zinc/77/09/04/905770904.db2.gz WTLJKWQYWPZSMO-YLJYHZDGSA-N 1 0 421.856 4.144 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494493584 905778809 /nfs/dbraw/zinc/77/88/09/905778809.db2.gz JEUMAANEDADRDW-SOVGHPHASA-N 1 0 403.866 4.003 20 5 HIBDRO CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494513572 905804606 /nfs/dbraw/zinc/80/46/06/905804606.db2.gz LSMQOJSCABPQJB-ZDUSSCGKSA-N 1 0 409.408 4.143 20 5 HIBDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000494519576 905809741 /nfs/dbraw/zinc/80/97/41/905809741.db2.gz BYRCOYJMGHUNLM-LBPRGKRZSA-N 1 0 411.380 4.129 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000495357189 906398480 /nfs/dbraw/zinc/39/84/80/906398480.db2.gz FZOZHCBINQDGGZ-GOSISDBHSA-N 1 0 410.392 4.018 20 5 HIBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000495365438 906407592 /nfs/dbraw/zinc/40/75/92/906407592.db2.gz FQCDARADZJVMOF-UHFFFAOYSA-N 1 0 410.518 4.042 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000495864957 906567046 /nfs/dbraw/zinc/56/70/46/906567046.db2.gz WXNQOBQSVHWIKT-HNNXBMFYSA-N 1 0 414.531 4.057 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000496228168 906634027 /nfs/dbraw/zinc/63/40/27/906634027.db2.gz XINDGWYIMAUMNL-FQEVSTJZSA-N 1 0 424.545 4.414 20 5 HIBDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000512600391 921255751 /nfs/dbraw/zinc/25/57/51/921255751.db2.gz UVQMYKDTRGFOTC-UHFFFAOYSA-N 1 0 421.453 4.411 20 5 HIBDRO COc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc(OC)c1C(C)C ZINC000496633568 906725928 /nfs/dbraw/zinc/72/59/28/906725928.db2.gz TXRYTUJKZBWHML-UHFFFAOYSA-N 1 0 410.430 4.173 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497093084 906803400 /nfs/dbraw/zinc/80/34/00/906803400.db2.gz ALUUMPVMWKUAQE-TZIWHRDSSA-N 1 0 414.502 4.165 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497093078 906803804 /nfs/dbraw/zinc/80/38/04/906803804.db2.gz ALUUMPVMWKUAQE-FPOVZHCZSA-N 1 0 414.502 4.165 20 5 HIBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497350640 906846045 /nfs/dbraw/zinc/84/60/45/906846045.db2.gz VDRCMSQSYIQQNS-UHFFFAOYSA-N 1 0 410.518 4.013 20 5 HIBDRO CNC(=O)c1ccc(NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000512708428 921293309 /nfs/dbraw/zinc/29/33/09/921293309.db2.gz SRUPDMVKTBRUHV-CALCHBBNSA-N 1 0 410.518 4.044 20 5 HIBDRO C[NH+](C)Cc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000497651452 907141917 /nfs/dbraw/zinc/14/19/17/907141917.db2.gz JWNNONBEXHFVRG-UHFFFAOYSA-N 1 0 410.396 4.116 20 5 HIBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000512728502 921298073 /nfs/dbraw/zinc/29/80/73/921298073.db2.gz FAUDSRSARCHRTI-QGZVFWFLSA-N 1 0 422.407 4.318 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498132549 907651575 /nfs/dbraw/zinc/65/15/75/907651575.db2.gz QTBUPKUYSXDFHA-MRXNPFEDSA-N 1 0 404.470 4.098 20 5 HIBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498383292 907871547 /nfs/dbraw/zinc/87/15/47/907871547.db2.gz PFMYHCOCGUAJIV-GDBMZVCRSA-N 1 0 421.419 4.254 20 5 HIBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000498561101 908021850 /nfs/dbraw/zinc/02/18/50/908021850.db2.gz QHRRPEZOPZWCDP-PZJWPPBQSA-N 1 0 410.474 4.011 20 5 HIBDRO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000500032016 909488740 /nfs/dbraw/zinc/48/87/40/909488740.db2.gz FBUVMVWMHMVLKB-UHFFFAOYSA-N 1 0 424.545 4.066 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501013232 910233592 /nfs/dbraw/zinc/23/35/92/910233592.db2.gz YMCLUYUMMBAMJA-CQSZACIVSA-N 1 0 412.421 4.083 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513117238 921562934 /nfs/dbraw/zinc/56/29/34/921562934.db2.gz QVLUNLDBXOIZQF-NRFANRHFSA-N 1 0 422.485 4.216 20 5 HIBDRO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000501607168 910710794 /nfs/dbraw/zinc/71/07/94/910710794.db2.gz ZNZPXDLNMVLIQB-HXUWFJFHSA-N 1 0 421.419 4.398 20 5 HIBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(CCC[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000501617835 910719485 /nfs/dbraw/zinc/71/94/85/910719485.db2.gz SVACBEWEKBDJFI-GOSISDBHSA-N 1 0 416.566 4.025 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000513204296 921621258 /nfs/dbraw/zinc/62/12/58/921621258.db2.gz PSNGIMXNZIWMLE-UHFFFAOYSA-N 1 0 407.873 4.150 20 5 HIBDRO COc1ccc(NC(=O)[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000513219410 921634864 /nfs/dbraw/zinc/63/48/64/921634864.db2.gz RQUBETNBXLWGML-QFIPXVFZSA-N 1 0 405.454 4.116 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513227855 921641742 /nfs/dbraw/zinc/64/17/42/921641742.db2.gz RWLHHCSPYMJCSZ-IBGZPJMESA-N 1 0 422.510 4.113 20 5 HIBDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000502415980 911397379 /nfs/dbraw/zinc/39/73/79/911397379.db2.gz ICLLRFMGMSYLDE-UHFFFAOYSA-N 1 0 413.305 4.214 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(C(F)(F)F)cc1 ZINC000502515067 911518370 /nfs/dbraw/zinc/51/83/70/911518370.db2.gz HZVDJWJMMWNLJS-SFHVURJKSA-N 1 0 424.423 4.130 20 5 HIBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000506337841 914953693 /nfs/dbraw/zinc/95/36/93/914953693.db2.gz DDTWMZBVTKQULM-UHFFFAOYSA-N 1 0 415.465 4.264 20 5 HIBDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506341358 914960216 /nfs/dbraw/zinc/96/02/16/914960216.db2.gz KFZYWNKAXOIMEU-OAHLLOKOSA-N 1 0 414.483 4.451 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000506820782 915582002 /nfs/dbraw/zinc/58/20/02/915582002.db2.gz DKJFEGBVISOVDW-UHFFFAOYSA-N 1 0 410.518 4.283 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000507305305 916067418 /nfs/dbraw/zinc/06/74/18/916067418.db2.gz UPVPZZXXPZJXJT-HNAYVOBHSA-N 1 0 403.548 4.186 20 5 HIBDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000507449720 916218822 /nfs/dbraw/zinc/21/88/22/916218822.db2.gz IMERXZDUSTZVMS-HOTGVXAUSA-N 1 0 417.531 4.320 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CC[NH+]2CCC1CC2 ZINC000507882029 916720794 /nfs/dbraw/zinc/72/07/94/916720794.db2.gz IXYZJDCFSIOXAV-UHFFFAOYSA-N 1 0 417.918 4.320 20 5 HIBDRO COc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507932092 916805476 /nfs/dbraw/zinc/80/54/76/916805476.db2.gz NKZGVZFGHVOXGA-UHFFFAOYSA-N 1 0 408.454 4.220 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccccc2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508077321 916897727 /nfs/dbraw/zinc/89/77/27/916897727.db2.gz HQHNDSMHNROEJZ-UHFFFAOYSA-N 1 0 408.454 4.220 20 5 HIBDRO COc1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000508259303 917076394 /nfs/dbraw/zinc/07/63/94/917076394.db2.gz YARSAECXBVHXGH-UHFFFAOYSA-N 1 0 417.481 4.226 20 5 HIBDRO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570290 917343499 /nfs/dbraw/zinc/34/34/99/917343499.db2.gz PDEVIYCQJJSYRV-YWZLYKJASA-N 1 0 421.419 4.227 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000509375751 918040915 /nfs/dbraw/zinc/04/09/15/918040915.db2.gz YQMOQBWZTMZONJ-LJQANCHMSA-N 1 0 400.454 4.156 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000509413605 918076224 /nfs/dbraw/zinc/07/62/24/918076224.db2.gz AGJJWXBPSPSKMC-HXUWFJFHSA-N 1 0 414.506 4.335 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509826306 918428031 /nfs/dbraw/zinc/42/80/31/918428031.db2.gz KFALDSFINCURLQ-OAQYLSRUSA-N 1 0 410.518 4.179 20 5 HIBDRO CCOc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510112906 918674949 /nfs/dbraw/zinc/67/49/49/918674949.db2.gz MQZSIPOOWBVOJJ-PKOBYXMFSA-N 1 0 411.502 4.024 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510149656 918705496 /nfs/dbraw/zinc/70/54/96/918705496.db2.gz SSXFOEZEZYHDEK-NVXWUHKLSA-N 1 0 401.894 4.279 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510239411 918777089 /nfs/dbraw/zinc/77/70/89/918777089.db2.gz BOTIXIDBRLOGQB-WMZOPIPTSA-N 1 0 406.486 4.107 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000510862510 919352764 /nfs/dbraw/zinc/35/27/64/919352764.db2.gz AKWATFZJGABVOR-OKILXGFUSA-N 1 0 414.453 4.076 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000510917972 919430152 /nfs/dbraw/zinc/43/01/52/919430152.db2.gz XJGDZLDGAJKFEU-IBGZPJMESA-N 1 0 424.545 4.211 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511585552 920231885 /nfs/dbraw/zinc/23/18/85/920231885.db2.gz CJANJRVOVBCZQX-IBGZPJMESA-N 1 0 423.391 4.481 20 5 HIBDRO C[C@@H]1C[C@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@@H+]1Cc1ccccc1 ZINC000511642881 920306932 /nfs/dbraw/zinc/30/69/32/920306932.db2.gz KNESGAHHTBJAHX-AEFFLSMTSA-N 1 0 408.502 4.192 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000511766499 920451733 /nfs/dbraw/zinc/45/17/33/920451733.db2.gz CJQGJTXTOPRFTI-FQEVSTJZSA-N 1 0 413.543 4.104 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000511809595 920506924 /nfs/dbraw/zinc/50/69/24/920506924.db2.gz USXZJDBUALLBTJ-XZOQPEGZSA-N 1 0 415.493 4.301 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1)c1ccsc1 ZINC000511847414 920567819 /nfs/dbraw/zinc/56/78/19/920567819.db2.gz YEQASYIPOQRERF-UHFFFAOYSA-N 1 0 411.483 4.311 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511860056 920584773 /nfs/dbraw/zinc/58/47/73/920584773.db2.gz OXRRRKLWOYGMMT-FGTMMUONSA-N 1 0 424.419 4.279 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511880492 920612301 /nfs/dbraw/zinc/61/23/01/920612301.db2.gz VRGADFSOMUDEGX-QKNQBKEWSA-N 1 0 409.486 4.200 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178782 920918507 /nfs/dbraw/zinc/91/85/07/920918507.db2.gz KIZPLCBUZXVFIF-MOPGFXCFSA-N 1 0 411.550 4.082 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccsc1 ZINC000513730937 922051001 /nfs/dbraw/zinc/05/10/01/922051001.db2.gz PTHKMDXZJFWUQM-HNNXBMFYSA-N 1 0 413.446 4.071 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000513914674 922236870 /nfs/dbraw/zinc/23/68/70/922236870.db2.gz IJDLOXUOYJYKJA-JOCHJYFZSA-N 1 0 424.545 4.204 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000513914756 922237352 /nfs/dbraw/zinc/23/73/52/922237352.db2.gz JIBDTBXLMOTQSN-LJQANCHMSA-N 1 0 401.894 4.279 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514073961 922397109 /nfs/dbraw/zinc/39/71/09/922397109.db2.gz GFXNTZZDZXDLPH-GOSISDBHSA-N 1 0 400.475 4.230 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000514195457 922533550 /nfs/dbraw/zinc/53/35/50/922533550.db2.gz QWXFGXLECXXGIT-AWEZNQCLSA-N 1 0 419.428 4.152 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000514339005 922600642 /nfs/dbraw/zinc/60/06/42/922600642.db2.gz WZYOHLLQZZOQAZ-IBGZPJMESA-N 1 0 416.547 4.048 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514511223 922664997 /nfs/dbraw/zinc/66/49/97/922664997.db2.gz HWFIFAADCMJAAD-QGZVFWFLSA-N 1 0 418.519 4.260 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000514817514 922812503 /nfs/dbraw/zinc/81/25/03/922812503.db2.gz HTRAONNQFRDIBY-LJQANCHMSA-N 1 0 420.460 4.078 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000515565462 923183056 /nfs/dbraw/zinc/18/30/56/923183056.db2.gz LKLJGNLSPYTLRL-JOCHJYFZSA-N 1 0 423.513 4.476 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000516858895 923918593 /nfs/dbraw/zinc/91/85/93/923918593.db2.gz ITYRIWGEWXFHHN-GOSISDBHSA-N 1 0 416.449 4.344 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000517551144 924261734 /nfs/dbraw/zinc/26/17/34/924261734.db2.gz AGLRLCXPPLMKGX-APWZRJJASA-N 1 0 400.475 4.230 20 5 HIBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000518125068 927033997 /nfs/dbraw/zinc/03/39/97/927033997.db2.gz GFMMKILPNXWVDK-CQSZACIVSA-N 1 0 403.866 4.112 20 5 HIBDRO Cc1noc(CCC[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000518777640 927488779 /nfs/dbraw/zinc/48/87/79/927488779.db2.gz NWGZOEIQXLKCLR-UHFFFAOYSA-N 1 0 402.838 4.454 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518783632 927489731 /nfs/dbraw/zinc/48/97/31/927489731.db2.gz QGEVQVWDMGPPHX-JXFKEZNVSA-N 1 0 400.475 4.230 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000518876321 927587145 /nfs/dbraw/zinc/58/71/45/927587145.db2.gz OXFVQLIMICJUCC-DNVCBOLYSA-N 1 0 419.909 4.215 20 5 HIBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000519163519 927807957 /nfs/dbraw/zinc/80/79/57/927807957.db2.gz RWXXWXBYNZIYLI-UHFFFAOYSA-N 1 0 404.898 4.277 20 5 HIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000520564586 928643092 /nfs/dbraw/zinc/64/30/92/928643092.db2.gz BKCDZIYSTISKOG-KRWDZBQOSA-N 1 0 413.522 4.080 20 5 HIBDRO COc1cccc(C2(C[NH2+][C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)c1 ZINC000520833417 928836947 /nfs/dbraw/zinc/83/69/47/928836947.db2.gz AJUFDGRHYQWEGW-QGZVFWFLSA-N 1 0 411.502 4.340 20 5 HIBDRO COCC(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000520951140 928886427 /nfs/dbraw/zinc/88/64/27/928886427.db2.gz QXJMYTXWAIAMAP-UHFFFAOYSA-N 1 0 411.483 4.198 20 5 HIBDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520964858 928893192 /nfs/dbraw/zinc/89/31/92/928893192.db2.gz APWWUBVILAJKKQ-ZDUSSCGKSA-N 1 0 410.312 4.437 20 5 HIBDRO 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 929020383 /nfs/dbraw/zinc/02/03/83/929020383.db2.gz QIYDWLOKIIZIAY-QZTJIDSGSA-N 1 0 416.566 4.024 20 5 HIBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000524774662 929825225 /nfs/dbraw/zinc/82/52/25/929825225.db2.gz UZMDWGOZGIQSCD-AWEZNQCLSA-N 1 0 403.866 4.112 20 5 HIBDRO CCc1cc(N2CCC([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)ncn1 ZINC000530644327 930784640 /nfs/dbraw/zinc/78/46/40/930784640.db2.gz YLCJVVMBMXJSPX-UHFFFAOYSA-N 1 0 423.542 4.434 20 5 HIBDRO C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562395380 945069879 /nfs/dbraw/zinc/06/98/79/945069879.db2.gz YVNCEBBDPGZQAD-MGPUTAFESA-N 1 0 401.894 4.305 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000530965439 930870102 /nfs/dbraw/zinc/87/01/02/930870102.db2.gz WMNLRGKECZMLTM-CHWSQXEVSA-N 1 0 411.380 4.480 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000530966082 930870363 /nfs/dbraw/zinc/87/03/63/930870363.db2.gz FWIFWWPJEVFAPG-ZIAGYGMSSA-N 1 0 407.873 4.393 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] ZINC000530966381 930871084 /nfs/dbraw/zinc/87/10/84/930871084.db2.gz GVLPQFXKNJQXIO-CHWSQXEVSA-N 1 0 406.280 4.344 20 5 HIBDRO COc1ccc(C[NH2+]C(C)(C)C(C)(C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530968094 930871943 /nfs/dbraw/zinc/87/19/43/930871943.db2.gz LDQRUHHTFSNDPY-UHFFFAOYSA-N 1 0 402.491 4.069 20 5 HIBDRO COc1ccccc1C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000531129692 930933967 /nfs/dbraw/zinc/93/39/67/930933967.db2.gz QRAROFCLZJYKAZ-IFXJQAMLSA-N 1 0 419.909 4.441 20 5 HIBDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204493 930964267 /nfs/dbraw/zinc/96/42/67/930964267.db2.gz GEXADSDINOFHIU-DOTOQJQBSA-N 1 0 421.501 4.384 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000532373777 931414108 /nfs/dbraw/zinc/41/41/08/931414108.db2.gz FAKDZTSDMWGZJC-ZRBLBEILSA-N 1 0 418.497 4.495 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc(Br)c1 ZINC000532493337 931460074 /nfs/dbraw/zinc/46/00/74/931460074.db2.gz OWYKLFGQPFRPGD-UHFFFAOYSA-N 1 0 406.280 4.126 20 5 HIBDRO Cc1c(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000532673233 931578872 /nfs/dbraw/zinc/57/88/72/931578872.db2.gz BPNNZSBSSOYWNR-FQEVSTJZSA-N 1 0 401.894 4.052 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532950642 931708528 /nfs/dbraw/zinc/70/85/28/931708528.db2.gz XXQKLTKMGVFWAZ-ZWKOTPCHSA-N 1 0 413.522 4.294 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccncc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533180769 931803062 /nfs/dbraw/zinc/80/30/62/931803062.db2.gz NFJOBACVLMVILV-UHFFFAOYSA-N 1 0 407.470 4.218 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC=C(c4c[nH]c5ncccc45)CC3)o2)c1 ZINC000533344233 931843816 /nfs/dbraw/zinc/84/38/16/931843816.db2.gz WKPIIBMIPUYWAH-UHFFFAOYSA-N 1 0 415.453 4.458 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000533377447 931852950 /nfs/dbraw/zinc/85/29/50/931852950.db2.gz WVEVUCCLWRAPEQ-QFIPXVFZSA-N 1 0 421.428 4.411 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533420838 931863533 /nfs/dbraw/zinc/86/35/33/931863533.db2.gz PUVOGTJTNUFXJR-OFNKIYASSA-N 1 0 422.529 4.143 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000533513718 931890801 /nfs/dbraw/zinc/89/08/01/931890801.db2.gz QCZLYHNIWKRRLV-NRFANRHFSA-N 1 0 401.438 4.202 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000533917934 932097754 /nfs/dbraw/zinc/09/77/54/932097754.db2.gz MLJITYMINWBMPT-KRWDZBQOSA-N 1 0 420.513 4.167 20 5 HIBDRO COc1ccc(C[C@@H](C)C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000534167473 932312403 /nfs/dbraw/zinc/31/24/03/932312403.db2.gz RYCVLBCZQMOFNU-CQSZACIVSA-N 1 0 405.882 4.006 20 5 HIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)nc2c1 ZINC000534219002 932338790 /nfs/dbraw/zinc/33/87/90/932338790.db2.gz CKZZVNHEEZUZCD-KRWDZBQOSA-N 1 0 421.501 4.296 20 5 HIBDRO CCC(=O)N1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000534347310 932388891 /nfs/dbraw/zinc/38/88/91/932388891.db2.gz SJRMVSKGEZBKFG-UHFFFAOYSA-N 1 0 417.893 4.485 20 5 HIBDRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000535209502 933016171 /nfs/dbraw/zinc/01/61/71/933016171.db2.gz BIIIJZUGOUHNNH-CQSZACIVSA-N 1 0 418.519 4.474 20 5 HIBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000535592693 933259456 /nfs/dbraw/zinc/25/94/56/933259456.db2.gz HKJQPMCNQFDVGJ-UHFFFAOYSA-N 1 0 417.513 4.195 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535682582 933335533 /nfs/dbraw/zinc/33/55/33/933335533.db2.gz VTQKRQKLIKRKCQ-LIRRHRJNSA-N 1 0 405.857 4.119 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535800195 933395594 /nfs/dbraw/zinc/39/55/94/933395594.db2.gz VHCKWCQPXGZDKE-CTNGQTDRSA-N 1 0 412.486 4.183 20 5 HIBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000537299192 933703435 /nfs/dbraw/zinc/70/34/35/933703435.db2.gz ACKIGIFHNYWYAH-ZIAGYGMSSA-N 1 0 405.882 4.245 20 5 HIBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537375463 933743501 /nfs/dbraw/zinc/74/35/01/933743501.db2.gz SKYQHBUPEMJGMK-MSOLQXFVSA-N 1 0 421.419 4.481 20 5 HIBDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000562593607 945105913 /nfs/dbraw/zinc/10/59/13/945105913.db2.gz SJTDTWCDOZURBQ-BHIYHBOVSA-N 1 0 417.941 4.353 20 5 HIBDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000562593621 945106017 /nfs/dbraw/zinc/10/60/17/945106017.db2.gz SJTDTWCDOZURBQ-QRQLOZEOSA-N 1 0 417.941 4.353 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)o1 ZINC000537621786 938336467 /nfs/dbraw/zinc/33/64/67/938336467.db2.gz DRZGUCJIKVTFHY-IBGZPJMESA-N 1 0 400.475 4.405 20 5 HIBDRO COc1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000537631462 938341549 /nfs/dbraw/zinc/34/15/49/938341549.db2.gz MXCALUMZEUDQHW-PXNSSMCTSA-N 1 0 413.518 4.097 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000537642716 938344356 /nfs/dbraw/zinc/34/43/56/938344356.db2.gz UZMLSJNBWNKHGV-UHFFFAOYSA-N 1 0 407.514 4.183 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)o2)c(Br)c1 ZINC000537647456 938345508 /nfs/dbraw/zinc/34/55/08/938345508.db2.gz QJCRFJCVTYNCQL-ZIAGYGMSSA-N 1 0 421.291 4.476 20 5 HIBDRO Cn1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537658956 938348382 /nfs/dbraw/zinc/34/83/82/938348382.db2.gz HYDJKIKSKCNPGQ-HSZRJFAPSA-N 1 0 420.513 4.219 20 5 HIBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000537691832 938355984 /nfs/dbraw/zinc/35/59/84/938355984.db2.gz DBMKJRDNDIOCSQ-IBGZPJMESA-N 1 0 413.543 4.355 20 5 HIBDRO Cn1cc(CNc2cccc(C[NH+]3CCSCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537732336 938365380 /nfs/dbraw/zinc/36/53/80/938365380.db2.gz MHFCDSAKEUUODV-UHFFFAOYSA-N 1 0 423.542 4.156 20 5 HIBDRO C[C@@H]1C[C@@H](C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000537770766 938373180 /nfs/dbraw/zinc/37/31/80/938373180.db2.gz CDPZUVLHQWEGPD-SIFCLUCFSA-N 1 0 417.893 4.333 20 5 HIBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000537770767 938373347 /nfs/dbraw/zinc/37/33/47/938373347.db2.gz CDPZUVLHQWEGPD-STXHMFSFSA-N 1 0 417.893 4.333 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc2c(cccc2F)n1C ZINC000537981431 938446824 /nfs/dbraw/zinc/44/68/24/938446824.db2.gz LKNBSERJPRDMKP-AWEZNQCLSA-N 1 0 402.495 4.324 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000538149042 938521504 /nfs/dbraw/zinc/52/15/04/938521504.db2.gz GNXINERREZUQKB-HNNXBMFYSA-N 1 0 403.504 4.116 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000538149793 938522038 /nfs/dbraw/zinc/52/20/38/938522038.db2.gz FBMVZKZJCQMRLS-KRWDZBQOSA-N 1 0 420.469 4.167 20 5 HIBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCC(C)C ZINC000538168195 938533966 /nfs/dbraw/zinc/53/39/66/938533966.db2.gz UPKDMQZHCUTSEU-INIZCTEOSA-N 1 0 415.490 4.236 20 5 HIBDRO CCSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000538203005 938552465 /nfs/dbraw/zinc/55/24/65/938552465.db2.gz AVDXGVJSKJWEID-CQSZACIVSA-N 1 0 403.504 4.395 20 5 HIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(N2CCCC2=O)c1 ZINC000538210479 938557423 /nfs/dbraw/zinc/55/74/23/938557423.db2.gz INZWDWXRXRIRNW-INIZCTEOSA-N 1 0 420.469 4.270 20 5 HIBDRO C[N@H+](CCc1cccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1)C1CC1 ZINC000538230558 938566488 /nfs/dbraw/zinc/56/64/88/938566488.db2.gz UCUIGWSDVATPLX-UHFFFAOYSA-N 1 0 417.893 4.293 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538277572 938581597 /nfs/dbraw/zinc/58/15/97/938581597.db2.gz VCWDTYWGXWDNGZ-KBPBESRZSA-N 1 0 420.307 4.194 20 5 HIBDRO CCC1(O)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000538717987 938689651 /nfs/dbraw/zinc/68/96/51/938689651.db2.gz MXIGUJHXPISLKP-UHFFFAOYSA-N 1 0 409.280 4.354 20 5 HIBDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000538725098 938692729 /nfs/dbraw/zinc/69/27/29/938692729.db2.gz VKMSQPHDDCIHSB-KRWDZBQOSA-N 1 0 408.502 4.315 20 5 HIBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2 ZINC000538729061 938694610 /nfs/dbraw/zinc/69/46/10/938694610.db2.gz NUGYSHDBRBYARY-SFHVURJKSA-N 1 0 414.433 4.301 20 5 HIBDRO CC[N@H+](CCC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)CC1CC1 ZINC000538948591 938745591 /nfs/dbraw/zinc/74/55/91/938745591.db2.gz MMBKMMMDACBHDN-SFHVURJKSA-N 1 0 416.566 4.064 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000539080698 938797992 /nfs/dbraw/zinc/79/79/92/938797992.db2.gz AVNANHYZZOEJAV-KGLIPLIRSA-N 1 0 411.487 4.181 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000539225817 938821480 /nfs/dbraw/zinc/82/14/80/938821480.db2.gz FYXMXUFGBJJJSK-HNNXBMFYSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539253474 938826976 /nfs/dbraw/zinc/82/69/76/938826976.db2.gz MHPMSDZLGFQFPV-DLBZAZTESA-N 1 0 420.469 4.247 20 5 HIBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OC(F)F ZINC000539256046 938827676 /nfs/dbraw/zinc/82/76/76/938827676.db2.gz VDLOCEGEORQFDK-DLBZAZTESA-N 1 0 405.401 4.042 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539255343 938827843 /nfs/dbraw/zinc/82/78/43/938827843.db2.gz JQMSNRWPMLOZBV-DOMZBBRYSA-N 1 0 423.416 4.273 20 5 HIBDRO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000539277622 938832038 /nfs/dbraw/zinc/83/20/38/938832038.db2.gz RQHBGVAPLJPUAE-HTAPYJJXSA-N 1 0 411.502 4.398 20 5 HIBDRO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000539277624 938832188 /nfs/dbraw/zinc/83/21/88/938832188.db2.gz RQHBGVAPLJPUAE-VGOFRKELSA-N 1 0 411.502 4.398 20 5 HIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000539297875 938836197 /nfs/dbraw/zinc/83/61/97/938836197.db2.gz UEPZTVZWINVCRT-AUUYWEPGSA-N 1 0 408.401 4.072 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000539423082 938858467 /nfs/dbraw/zinc/85/84/67/938858467.db2.gz BIOBFMVXCAUEAO-OAQYLSRUSA-N 1 0 401.438 4.120 20 5 HIBDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539491223 938867979 /nfs/dbraw/zinc/86/79/79/938867979.db2.gz LHBVAAIILFUKDP-SFHVURJKSA-N 1 0 414.437 4.367 20 5 HIBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000539827087 938948459 /nfs/dbraw/zinc/94/84/59/938948459.db2.gz YFEZEHXVTWALOM-FQEVSTJZSA-N 1 0 414.502 4.431 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000539831337 938950547 /nfs/dbraw/zinc/95/05/47/938950547.db2.gz KNJJIXMECDLFTK-ZBFHGGJFSA-N 1 0 404.772 4.396 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)ccc1Oc1ccccc1Cl ZINC000539978714 939028954 /nfs/dbraw/zinc/02/89/54/939028954.db2.gz VNZUWDHLVXHBPR-IERDGZPVSA-N 1 0 418.877 4.468 20 5 HIBDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000540140255 939088011 /nfs/dbraw/zinc/08/80/11/939088011.db2.gz LUHSHQPGIPFIGP-QFUCXCTJSA-N 1 0 416.543 4.148 20 5 HIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000540191681 939117063 /nfs/dbraw/zinc/11/70/63/939117063.db2.gz QBYKFKGSAZPKGS-NUJGCVRESA-N 1 0 411.502 4.003 20 5 HIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000540191679 939117276 /nfs/dbraw/zinc/11/72/76/939117276.db2.gz QBYKFKGSAZPKGS-BQFCYCMXSA-N 1 0 411.502 4.003 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000540354144 939205292 /nfs/dbraw/zinc/20/52/92/939205292.db2.gz IBMFQECMNFLVLX-QGZVFWFLSA-N 1 0 420.469 4.167 20 5 HIBDRO CCSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000540402717 939235662 /nfs/dbraw/zinc/23/56/62/939235662.db2.gz ZLROUQGFWSONAA-CQSZACIVSA-N 1 0 403.504 4.395 20 5 HIBDRO COC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)c(F)c1 ZINC000540423188 939243120 /nfs/dbraw/zinc/24/31/20/939243120.db2.gz KMGIEMXVICVETI-GOSISDBHSA-N 1 0 403.385 4.048 20 5 HIBDRO C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(-c2ccncc2)cc1 ZINC000540436417 939248644 /nfs/dbraw/zinc/24/86/44/939248644.db2.gz VJEATUGYODJBCS-MRXNPFEDSA-N 1 0 418.453 4.306 20 5 HIBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1C(F)(F)F ZINC000540445773 939252992 /nfs/dbraw/zinc/25/29/92/939252992.db2.gz IHSAWYALVXWFDV-GFCCVEGCSA-N 1 0 409.364 4.262 20 5 HIBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540461991 939262049 /nfs/dbraw/zinc/26/20/49/939262049.db2.gz JXEKCKUHBVJKIL-MRXNPFEDSA-N 1 0 407.474 4.077 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000540520477 939285246 /nfs/dbraw/zinc/28/52/46/939285246.db2.gz QQZCJAUOJRIGFZ-BXJCWQANSA-N 1 0 403.866 4.182 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000540651361 939331394 /nfs/dbraw/zinc/33/13/94/939331394.db2.gz YIYIKZCRZSCMAQ-FXAWDEMLSA-N 1 0 400.475 4.087 20 5 HIBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540982700 939424778 /nfs/dbraw/zinc/42/47/78/939424778.db2.gz FIJIBQWUZGTZPC-ZDUSSCGKSA-N 1 0 408.296 4.001 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000541187460 939484872 /nfs/dbraw/zinc/48/48/72/939484872.db2.gz SUJZIIJTOBLKFJ-AWEZNQCLSA-N 1 0 423.560 4.135 20 5 HIBDRO COc1cc(C[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000541247409 939487532 /nfs/dbraw/zinc/48/75/32/939487532.db2.gz SKTZSLLJWQLOBR-UHFFFAOYSA-N 1 0 414.502 4.167 20 5 HIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549133 939551545 /nfs/dbraw/zinc/55/15/45/939551545.db2.gz MOMHFNGAUCQICY-IFXJQAMLSA-N 1 0 411.424 4.313 20 5 HIBDRO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000541693995 939606978 /nfs/dbraw/zinc/60/69/78/939606978.db2.gz CQCIPYZMWPWAGF-UHFFFAOYSA-N 1 0 405.564 4.339 20 5 HIBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541695997 939607682 /nfs/dbraw/zinc/60/76/82/939607682.db2.gz JHPPYLCHVHJMCM-BEFAXECRSA-N 1 0 421.856 4.178 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541730513 939615891 /nfs/dbraw/zinc/61/58/91/939615891.db2.gz WKKMBXWZXMZDRI-JKSUJKDBSA-N 1 0 415.465 4.197 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000541773630 939626828 /nfs/dbraw/zinc/62/68/28/939626828.db2.gz FWXVCMWGNAOGGB-MRXNPFEDSA-N 1 0 400.454 4.076 20 5 HIBDRO CC(C)Sc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000542259292 939774858 /nfs/dbraw/zinc/77/48/58/939774858.db2.gz LUSYCXQLKDCFER-HNNXBMFYSA-N 1 0 408.545 4.220 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542328845 939801358 /nfs/dbraw/zinc/80/13/58/939801358.db2.gz NHOGWOPMEFJZFT-GASCZTMLSA-N 1 0 413.971 4.215 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)s1 ZINC000542485459 939831529 /nfs/dbraw/zinc/83/15/29/939831529.db2.gz BZHZVXLQXGCRAG-INIZCTEOSA-N 1 0 402.516 4.341 20 5 HIBDRO O=C(C[NH2+][C@H](c1cccs1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000542509545 939834910 /nfs/dbraw/zinc/83/49/10/939834910.db2.gz CPAFSUIGCZNYHP-INIZCTEOSA-N 1 0 410.293 4.098 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)c1ccccc1 ZINC000542544792 939841576 /nfs/dbraw/zinc/84/15/76/939841576.db2.gz MGESYBFUZXBOBU-QWHCGFSZSA-N 1 0 406.280 4.078 20 5 HIBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000542554669 939842660 /nfs/dbraw/zinc/84/26/60/939842660.db2.gz BZQIFFAZESVILF-GOSISDBHSA-N 1 0 424.522 4.179 20 5 HIBDRO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542613326 939848469 /nfs/dbraw/zinc/84/84/69/939848469.db2.gz SVGQJGPUHYSRGX-DLBZAZTESA-N 1 0 413.493 4.386 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1C(F)(F)F ZINC000542865076 939864153 /nfs/dbraw/zinc/86/41/53/939864153.db2.gz YKEXNYFXCXPBKJ-KRWDZBQOSA-N 1 0 409.408 4.182 20 5 HIBDRO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000542945937 939883604 /nfs/dbraw/zinc/88/36/04/939883604.db2.gz ZVAGRIQMFROFSM-GOSISDBHSA-N 1 0 404.555 4.064 20 5 HIBDRO COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000542962446 939887037 /nfs/dbraw/zinc/88/70/37/939887037.db2.gz QJNMSYOOXYDCDJ-LPHOPBHVSA-N 1 0 412.490 4.120 20 5 HIBDRO CCc1ccc([C@H](NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422831 940060385 /nfs/dbraw/zinc/06/03/85/940060385.db2.gz NOWLQDYXOXYJKH-IUKKYPGJSA-N 1 0 415.534 4.319 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]CCCc2nnc3n2CCCCC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543424379 940060745 /nfs/dbraw/zinc/06/07/45/940060745.db2.gz SZTQMZJCIXZHOL-QHCPKHFHSA-N 1 0 423.517 4.380 20 5 HIBDRO CC[C@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCO1 ZINC000543491750 940082532 /nfs/dbraw/zinc/08/25/32/940082532.db2.gz BJGDHMWEGHXKEB-IHPCNDPISA-N 1 0 417.893 4.475 20 5 HIBDRO C[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543522318 940095272 /nfs/dbraw/zinc/09/52/72/940095272.db2.gz GLPMMYIRGXPTHV-GOSISDBHSA-N 1 0 413.493 4.005 20 5 HIBDRO C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000543561514 940109551 /nfs/dbraw/zinc/10/95/51/940109551.db2.gz RCCPSIHTHKFTSL-JLTOFOAXSA-N 1 0 419.884 4.444 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000563785792 945301794 /nfs/dbraw/zinc/30/17/94/945301794.db2.gz HLBGNCVOUBOKJH-UHFFFAOYSA-N 1 0 410.202 4.115 20 5 HIBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000544042662 940308549 /nfs/dbraw/zinc/30/85/49/940308549.db2.gz SXCQJKRHMSWJQB-UHFFFAOYSA-N 1 0 401.466 4.430 20 5 HIBDRO C[NH+](C)Cc1cc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)ccc1F ZINC000563842243 945311500 /nfs/dbraw/zinc/31/15/00/945311500.db2.gz QWOIDJOXZRPNOQ-UHFFFAOYSA-N 1 0 402.401 4.311 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000544354183 940398800 /nfs/dbraw/zinc/39/88/00/940398800.db2.gz WKMOOAWSGBXIPT-UHFFFAOYSA-N 1 0 417.893 4.041 20 5 HIBDRO Cc1c(Br)c(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000544396287 940411520 /nfs/dbraw/zinc/41/15/20/940411520.db2.gz YEKURWYSNHIXGA-DZGCQCFKSA-N 1 0 411.344 4.152 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544398973 940412068 /nfs/dbraw/zinc/41/20/68/940412068.db2.gz JHDNBQRHHUADPO-IEBWSBKVSA-N 1 0 413.493 4.208 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544490435 940455293 /nfs/dbraw/zinc/45/52/93/940455293.db2.gz JRIOAGZRFXCKQD-KBXCAEBGSA-N 1 0 413.499 4.117 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)cc1OC ZINC000544564447 940480382 /nfs/dbraw/zinc/48/03/82/940480382.db2.gz GIXFKHLHPTWNET-SJORKVTESA-N 1 0 406.523 4.419 20 5 HIBDRO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000544597406 940487025 /nfs/dbraw/zinc/48/70/25/940487025.db2.gz FACVLJWTNFYXSV-SFHVURJKSA-N 1 0 406.490 4.169 20 5 HIBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)n2)cc1 ZINC000545542553 940574155 /nfs/dbraw/zinc/57/41/55/940574155.db2.gz WACYGAMOGJCWHI-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000545828723 940618422 /nfs/dbraw/zinc/61/84/22/940618422.db2.gz CQOGNZKXYABNIX-KUHUBIRLSA-N 1 0 419.522 4.272 20 5 HIBDRO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545830614 940619804 /nfs/dbraw/zinc/61/98/04/940619804.db2.gz BKCGRVOYKDMDIY-AEFFLSMTSA-N 1 0 413.493 4.038 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000545862136 940642529 /nfs/dbraw/zinc/64/25/29/940642529.db2.gz DHFNYANIAHOXQZ-HNNXBMFYSA-N 1 0 401.482 4.257 20 5 HIBDRO O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccccc3C[NH+]3CCCC3)no2)c1 ZINC000546238771 940740873 /nfs/dbraw/zinc/74/08/73/940740873.db2.gz OZBIPNZMPGVMHN-UHFFFAOYSA-N 1 0 403.442 4.244 20 5 HIBDRO Cc1c(Cc2noc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)cccc1[N+](=O)[O-] ZINC000546487069 940833270 /nfs/dbraw/zinc/83/32/70/940833270.db2.gz ZBQYQTMGZGIDJU-SFHVURJKSA-N 1 0 410.449 4.396 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4ccccc4C[NH+]4CCCCC4)no3)c2c1 ZINC000547110510 941000748 /nfs/dbraw/zinc/00/07/48/941000748.db2.gz RFCWIGVERHGYLH-UHFFFAOYSA-N 1 0 404.430 4.174 20 5 HIBDRO C[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000548757103 941122836 /nfs/dbraw/zinc/12/28/36/941122836.db2.gz ARQYKAMYKFAAOX-QGZVFWFLSA-N 1 0 410.518 4.115 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000548956722 941133744 /nfs/dbraw/zinc/13/37/44/941133744.db2.gz FRTYUFBIUDZTAK-KRWDZBQOSA-N 1 0 411.502 4.298 20 5 HIBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000548988974 941139238 /nfs/dbraw/zinc/13/92/38/941139238.db2.gz IYTROSHNGHVXGU-GOSISDBHSA-N 1 0 421.856 4.326 20 5 HIBDRO COc1ccc(-c2nc(CN(C)CCc3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 ZINC000549166964 941167637 /nfs/dbraw/zinc/16/76/37/941167637.db2.gz BBZYVTLOQIVKAK-UHFFFAOYSA-N 1 0 413.499 4.410 20 5 HIBDRO CC(=O)c1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000549232549 941172716 /nfs/dbraw/zinc/17/27/16/941172716.db2.gz IPMRNLSMVGNQEC-HXUWFJFHSA-N 1 0 423.513 4.138 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000549298935 941178101 /nfs/dbraw/zinc/17/81/01/941178101.db2.gz DLROCKNTEKQFQS-IEBWSBKVSA-N 1 0 411.502 4.119 20 5 HIBDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3c(Cl)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549477261 941194514 /nfs/dbraw/zinc/19/45/14/941194514.db2.gz PZNKMHCPKKWVOL-FPOVZHCZSA-N 1 0 401.894 4.324 20 5 HIBDRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cn1cccn1 ZINC000549551094 941199015 /nfs/dbraw/zinc/19/90/15/941199015.db2.gz QUFNCMCJQVDVMR-SFHVURJKSA-N 1 0 416.485 4.070 20 5 HIBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551250605 941435980 /nfs/dbraw/zinc/43/59/80/941435980.db2.gz OSRPCQIVSZEOFG-MRXNPFEDSA-N 1 0 421.419 4.208 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000552247445 941613531 /nfs/dbraw/zinc/61/35/31/941613531.db2.gz PLFKYZFLXNGGNE-QFIPXVFZSA-N 1 0 407.518 4.048 20 5 HIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000552270994 941619323 /nfs/dbraw/zinc/61/93/23/941619323.db2.gz MYYZAQLKPRLUOA-CZTZKLFOSA-N 1 0 411.502 4.173 20 5 HIBDRO COc1ccc(-c2ccc(C[NH+]3CCC(CO)(c4ccccc4)CC3)o2)c([N+](=O)[O-])c1 ZINC000552292747 941624284 /nfs/dbraw/zinc/62/42/84/941624284.db2.gz FRVSXNRBVFJQIM-UHFFFAOYSA-N 1 0 422.481 4.390 20 5 HIBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000553146383 941840820 /nfs/dbraw/zinc/84/08/20/941840820.db2.gz MBZNLQDOOYDLPP-UHFFFAOYSA-N 1 0 409.515 4.092 20 5 HIBDRO CN(CCC[N@H+](C)Cc1ccco1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000553663876 941938878 /nfs/dbraw/zinc/93/88/78/941938878.db2.gz GXYIQRTYDOHWOS-UHFFFAOYSA-N 1 0 422.354 4.195 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1 ZINC000553666261 941939620 /nfs/dbraw/zinc/93/96/20/941939620.db2.gz BKICBBBAMSPAHY-FQEVSTJZSA-N 1 0 417.531 4.137 20 5 HIBDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000554015891 942020002 /nfs/dbraw/zinc/02/00/02/942020002.db2.gz KMHGBZYWOWHDTM-VFNWGFHPSA-N 1 0 417.481 4.044 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1OC ZINC000554291473 942092718 /nfs/dbraw/zinc/09/27/18/942092718.db2.gz VYMQIQIMCDMLMQ-OLZOCXBDSA-N 1 0 421.881 4.252 20 5 HIBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000554719884 942210943 /nfs/dbraw/zinc/21/09/43/942210943.db2.gz AIFBJFNWGMITQZ-KRWDZBQOSA-N 1 0 419.572 4.012 20 5 HIBDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887028 942308561 /nfs/dbraw/zinc/30/85/61/942308561.db2.gz APGHQFONPXQMKS-ACJLOTCBSA-N 1 0 422.323 4.389 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@](CO)(Cc4ccc(F)cc4)C3)o2)c1 ZINC000554890472 942310078 /nfs/dbraw/zinc/31/00/78/942310078.db2.gz YTEDASISLPWSKL-QHCPKHFHSA-N 1 0 410.445 4.421 20 5 HIBDRO CC(C)N1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000555128793 942394798 /nfs/dbraw/zinc/39/47/98/942394798.db2.gz JDAFPQNZNZLLFN-RXVVDRJESA-N 1 0 405.445 4.065 20 5 HIBDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000555152683 942406848 /nfs/dbraw/zinc/40/68/48/942406848.db2.gz OPRLDESFFNEETM-PKOBYXMFSA-N 1 0 411.502 4.194 20 5 HIBDRO CCc1nc2cc(C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)ccc2n1C1CC1 ZINC000555226389 942437163 /nfs/dbraw/zinc/43/71/63/942437163.db2.gz QZJOPRJUUUMWSV-MJGOQNOKSA-N 1 0 408.506 4.312 20 5 HIBDRO C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000555313012 942473500 /nfs/dbraw/zinc/47/35/00/942473500.db2.gz YVKXODOMBJYTCH-YADARESESA-N 1 0 407.514 4.213 20 5 HIBDRO Cc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccnn2C)c1 ZINC000555338384 942482917 /nfs/dbraw/zinc/48/29/17/942482917.db2.gz ZNQLCJAWPFPZJA-UHFFFAOYSA-N 1 0 406.486 4.347 20 5 HIBDRO Cc1noc(C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccccc2)n1 ZINC000555460675 942562502 /nfs/dbraw/zinc/56/25/02/942562502.db2.gz BCRQCMURSPCPPW-KRWDZBQOSA-N 1 0 406.364 4.379 20 5 HIBDRO O=C(C[N@H+](Cc1cccs1)C1Cc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000556521922 942891154 /nfs/dbraw/zinc/89/11/54/942891154.db2.gz BSWOCTQMMZJOGN-UHFFFAOYSA-N 1 0 407.495 4.264 20 5 HIBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556867886 942944078 /nfs/dbraw/zinc/94/40/78/942944078.db2.gz BLWKRLXHDOMTCE-YADHBBJMSA-N 1 0 411.550 4.052 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000556870235 942945749 /nfs/dbraw/zinc/94/57/49/942945749.db2.gz FGEMCOIUPRCRSN-LAUBAEHRSA-N 1 0 407.518 4.137 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000556873196 942946794 /nfs/dbraw/zinc/94/67/94/942946794.db2.gz UXAMAVIPDICFHV-DYESRHJHSA-N 1 0 407.518 4.137 20 5 HIBDRO CC1CC[NH+](C2CCC(N[C@@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000556887506 942951822 /nfs/dbraw/zinc/95/18/22/942951822.db2.gz YNPXXPMGRLFJNP-QETWGEEDSA-N 1 0 411.550 4.050 20 5 HIBDRO C[NH+](C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000557654105 943249445 /nfs/dbraw/zinc/24/94/45/943249445.db2.gz VGYOTDOMHXYQLE-ZDUSSCGKSA-N 1 0 411.409 4.333 20 5 HIBDRO O=C(CC[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000557876485 943317973 /nfs/dbraw/zinc/31/79/73/943317973.db2.gz RVXIXFGFDQJWJN-FQEVSTJZSA-N 1 0 416.909 4.004 20 5 HIBDRO 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 943360445 /nfs/dbraw/zinc/36/04/45/943360445.db2.gz XRKALXYKMQLZAI-NJNPRVFISA-N 1 0 422.529 4.009 20 5 HIBDRO C[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000558562121 943599726 /nfs/dbraw/zinc/59/97/26/943599726.db2.gz HRMPZICLMVAUDS-IEBWSBKVSA-N 1 0 413.493 4.256 20 5 HIBDRO CCN1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558896253 943728624 /nfs/dbraw/zinc/72/86/24/943728624.db2.gz IRYKLWCQRREIPP-OXQOHEQNSA-N 1 0 418.856 4.454 20 5 HIBDRO Cn1ccnc1[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549901 944251481 /nfs/dbraw/zinc/25/14/81/944251481.db2.gz IOJXHSHDOMCYJH-UPVQGACJSA-N 1 0 419.529 4.062 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000560579956 944262523 /nfs/dbraw/zinc/26/25/23/944262523.db2.gz AQQUERXOCARWRO-LJQANCHMSA-N 1 0 416.909 4.193 20 5 HIBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000560648958 944284475 /nfs/dbraw/zinc/28/44/75/944284475.db2.gz UNZFBJLNSPIMHG-UHFFFAOYSA-N 1 0 408.502 4.065 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000561125863 944467591 /nfs/dbraw/zinc/46/75/91/944467591.db2.gz DTPPSFVIDFMISX-CABCVRRESA-N 1 0 402.520 4.456 20 5 HIBDRO Cc1nn(C)c(NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000561345093 944557624 /nfs/dbraw/zinc/55/76/24/944557624.db2.gz KKDPTPPREAUVFF-AWEZNQCLSA-N 1 0 419.835 4.328 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C1CCOCC1 ZINC000561371270 944564687 /nfs/dbraw/zinc/56/46/87/944564687.db2.gz IENNXEXXFWUIBR-SIKLNZKXSA-N 1 0 411.502 4.378 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562056364 944914744 /nfs/dbraw/zinc/91/47/44/944914744.db2.gz GOUAXUPLVLOSIS-DLBZAZTESA-N 1 0 414.893 4.234 20 5 HIBDRO CC(C)(C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1[N+](=O)[O-] ZINC000562120535 944953502 /nfs/dbraw/zinc/95/35/02/944953502.db2.gz MNAIDRAGYCBSRO-UHFFFAOYSA-N 1 0 421.541 4.387 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000562299547 945055407 /nfs/dbraw/zinc/05/54/07/945055407.db2.gz HFRQOUJCFTTZNO-UWJYYQICSA-N 1 0 411.502 4.050 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564422471 945573504 /nfs/dbraw/zinc/57/35/04/945573504.db2.gz AUKDMWFCFOIJRO-VQTJNVASSA-N 1 0 408.502 4.197 20 5 HIBDRO Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000565338162 945816267 /nfs/dbraw/zinc/81/62/67/945816267.db2.gz FWXYDYDKGWQPEB-SFHVURJKSA-N 1 0 410.518 4.176 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000565393257 945824373 /nfs/dbraw/zinc/82/43/73/945824373.db2.gz XCMOSGHPAHINJY-UHFFFAOYSA-N 1 0 418.181 4.427 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000565455130 945835015 /nfs/dbraw/zinc/83/50/15/945835015.db2.gz PVHRNNDDWSPYPE-INIZCTEOSA-N 1 0 423.517 4.047 20 5 HIBDRO O=C(CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000566825161 946118461 /nfs/dbraw/zinc/11/84/61/946118461.db2.gz HXKOSEUHNGGLLQ-UHFFFAOYSA-N 1 0 412.421 4.083 20 5 HIBDRO COc1ccccc1[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000566862538 946135159 /nfs/dbraw/zinc/13/51/59/946135159.db2.gz JQTQCLPVYJXTIW-INIZCTEOSA-N 1 0 413.503 4.247 20 5 HIBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC(F)F ZINC000567436377 946340276 /nfs/dbraw/zinc/34/02/76/946340276.db2.gz YYPRMTIZANAYJI-DLBZAZTESA-N 1 0 403.429 4.155 20 5 HIBDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328279 946509573 /nfs/dbraw/zinc/50/95/73/946509573.db2.gz OALMDMDULZAEER-JPYJTQIMSA-N 1 0 419.529 4.220 20 5 HIBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC000569286311 946849742 /nfs/dbraw/zinc/84/97/42/946849742.db2.gz SYOFOEXWLGDSMG-TZIWHRDSSA-N 1 0 407.470 4.390 20 5 HIBDRO COC[C@@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)OCCc2ccccc21 ZINC000569513023 946883053 /nfs/dbraw/zinc/88/30/53/946883053.db2.gz JNPULFVOPFKHDV-HSZRJFAPSA-N 1 0 408.454 4.059 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000569893078 947040324 /nfs/dbraw/zinc/04/03/24/947040324.db2.gz ZVYHGVRZFGKWLZ-UHFFFAOYSA-N 1 0 414.428 4.084 20 5 HIBDRO COc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(F)F ZINC000569959330 947053060 /nfs/dbraw/zinc/05/30/60/947053060.db2.gz GTGIGLFIGZDTSR-UHFFFAOYSA-N 1 0 410.417 4.281 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000571543629 947695657 /nfs/dbraw/zinc/69/56/57/947695657.db2.gz QSMAUZFKNJXPAY-MRXNPFEDSA-N 1 0 407.392 4.008 20 5 HIBDRO COC[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)OCCc2ccccc21 ZINC000571813232 947793626 /nfs/dbraw/zinc/79/36/26/947793626.db2.gz XHSSPSNVNCTWKE-HSZRJFAPSA-N 1 0 408.454 4.059 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000572064350 947837191 /nfs/dbraw/zinc/83/71/91/947837191.db2.gz RYFZHFWPYOGTHB-UHFFFAOYSA-N 1 0 403.429 4.390 20 5 HIBDRO CCOc1c(Cl)cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC ZINC000572201194 947861610 /nfs/dbraw/zinc/86/16/10/947861610.db2.gz ZCXXSKKXQUBFEW-UHFFFAOYSA-N 1 0 403.866 4.469 20 5 HIBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000574326466 948413498 /nfs/dbraw/zinc/41/34/98/948413498.db2.gz NGXVEAMIPNZIFS-PXNSSMCTSA-N 1 0 410.518 4.152 20 5 HIBDRO Cc1nc(C(C)C)ccc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000574342367 948417039 /nfs/dbraw/zinc/41/70/39/948417039.db2.gz NZIAWKIXCZETOW-UHFFFAOYSA-N 1 0 408.506 4.010 20 5 HIBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000575147600 948604902 /nfs/dbraw/zinc/60/49/02/948604902.db2.gz BDZJJGGIPVAOQO-UHFFFAOYSA-N 1 0 405.483 4.075 20 5 HIBDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967009 948804288 /nfs/dbraw/zinc/80/42/88/948804288.db2.gz NRHZUUXQKYJOOO-KBXCAEBGSA-N 1 0 421.419 4.108 20 5 HIBDRO COc1cc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)ncc1[N+](=O)[O-] ZINC001164759205 721044037 /nfs/dbraw/zinc/04/40/37/721044037.db2.gz KYSYLBOHHFVMDA-UHFFFAOYSA-N 1 0 410.518 4.189 20 5 HIBDRO CCOC(C)(C)C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000436005974 861294337 /nfs/dbraw/zinc/29/43/37/861294337.db2.gz MLOPLASNIJWOOV-SFHVURJKSA-N 1 0 405.882 4.333 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000436008662 861299091 /nfs/dbraw/zinc/29/90/91/861299091.db2.gz FWIZHVSCEKTYMV-QWRGUYRKSA-N 1 0 412.309 4.405 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436154827 861455683 /nfs/dbraw/zinc/45/56/83/861455683.db2.gz QONFJNAZRLZMOR-HZPDHXFCSA-N 1 0 423.532 4.307 20 5 HIBDRO CC[NH+](CC)CC1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000436251254 861562846 /nfs/dbraw/zinc/56/28/46/861562846.db2.gz YBHRPBCVGDUCBW-UHFFFAOYSA-N 1 0 409.505 4.014 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007492079 845344586 /nfs/dbraw/zinc/34/45/86/845344586.db2.gz NHINOOTUZKTUGH-UHFFFAOYSA-N 1 0 408.285 4.296 20 5 HIBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000009917336 845603990 /nfs/dbraw/zinc/60/39/90/845603990.db2.gz PAPQFMAQQOKVMZ-UHFFFAOYSA-N 1 0 404.470 4.330 20 5 HIBDRO CC(C)(C)Oc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000436320226 861624874 /nfs/dbraw/zinc/62/48/74/861624874.db2.gz HCYYUGFPGRSZOG-FQEVSTJZSA-N 1 0 413.518 4.341 20 5 HIBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCc2ccccc21 ZINC000018935225 846345880 /nfs/dbraw/zinc/34/58/80/846345880.db2.gz WVNXKVDKAAYDNS-SFHVURJKSA-N 1 0 418.291 4.305 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000025697834 847021625 /nfs/dbraw/zinc/02/16/25/847021625.db2.gz PVSQXTBZSGCIKQ-MGPUTAFESA-N 1 0 416.524 4.105 20 5 HIBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026264097 847116728 /nfs/dbraw/zinc/11/67/28/847116728.db2.gz BDGVHQGXZDIMLA-FQEVSTJZSA-N 1 0 413.474 4.168 20 5 HIBDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c(C)c1 ZINC000026644945 847180170 /nfs/dbraw/zinc/18/01/70/847180170.db2.gz FUSMAQQRJKBLCR-UHFFFAOYSA-N 1 0 423.513 4.444 20 5 HIBDRO CC(C)(C)c1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000027934081 847365439 /nfs/dbraw/zinc/36/54/39/847365439.db2.gz UYZRYKJRVKLREG-UHFFFAOYSA-N 1 0 409.530 4.329 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000029828858 847627217 /nfs/dbraw/zinc/62/72/17/847627217.db2.gz JNONZBZILQYWIR-INIZCTEOSA-N 1 0 408.458 4.253 20 5 HIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000030454874 847717252 /nfs/dbraw/zinc/71/72/52/847717252.db2.gz ZISJZBDVUHLHOS-GJZGRUSLSA-N 1 0 401.463 4.068 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000043149632 848390991 /nfs/dbraw/zinc/39/09/91/848390991.db2.gz MRIMUVRHAKUVPW-UHFFFAOYSA-N 1 0 402.882 4.343 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000046816311 848941134 /nfs/dbraw/zinc/94/11/34/848941134.db2.gz NIHHZIMCTCQYFM-OAHLLOKOSA-N 1 0 401.894 4.410 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000055152136 849978150 /nfs/dbraw/zinc/97/81/50/849978150.db2.gz KVJHWORSORDGQR-CABCVRRESA-N 1 0 401.463 4.068 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000056157024 850261747 /nfs/dbraw/zinc/26/17/47/850261747.db2.gz OJVOBGQOHNUDLD-HUUCEWRRSA-N 1 0 401.463 4.068 20 5 HIBDRO C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000057530655 850660250 /nfs/dbraw/zinc/66/02/50/850660250.db2.gz OEZUIJWIYAOLNR-UHFFFAOYSA-N 1 0 403.504 4.160 20 5 HIBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437013484 862191475 /nfs/dbraw/zinc/19/14/75/862191475.db2.gz QRXLTHLEIHLENG-SFHVURJKSA-N 1 0 421.419 4.350 20 5 HIBDRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000059286749 850992683 /nfs/dbraw/zinc/99/26/83/850992683.db2.gz JCGCZKQASCZMEY-IAGOWNOFSA-N 1 0 411.502 4.011 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000060063773 851036687 /nfs/dbraw/zinc/03/66/87/851036687.db2.gz GYCWWJVNWQMQIB-LJQANCHMSA-N 1 0 405.882 4.070 20 5 HIBDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)c2)cc1 ZINC000060979099 851265664 /nfs/dbraw/zinc/26/56/64/851265664.db2.gz YUBVWCWOTMCKKC-UHFFFAOYSA-N 1 0 403.482 4.431 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061192343 851313897 /nfs/dbraw/zinc/31/38/97/851313897.db2.gz BDDPLXZXGZBQFP-UHFFFAOYSA-N 1 0 424.545 4.176 20 5 HIBDRO CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000063510793 851706625 /nfs/dbraw/zinc/70/66/25/851706625.db2.gz QPHUQMUGPPCMMD-UWJYYQICSA-N 1 0 421.501 4.302 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063679730 851740232 /nfs/dbraw/zinc/74/02/32/851740232.db2.gz IRFSTEWTFMJJQH-UHFFFAOYSA-N 1 0 406.486 4.382 20 5 HIBDRO C[NH+](C)C1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000063735390 851751136 /nfs/dbraw/zinc/75/11/36/851751136.db2.gz OHPRGUJTRKURPS-UHFFFAOYSA-N 1 0 416.909 4.027 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065086688 852059896 /nfs/dbraw/zinc/05/98/96/852059896.db2.gz NDLUKFFZEQEYET-UHFFFAOYSA-N 1 0 422.510 4.244 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065867810 852291130 /nfs/dbraw/zinc/29/11/30/852291130.db2.gz YUHDYUZPDMOLTP-GOSISDBHSA-N 1 0 420.513 4.240 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000065937093 852325058 /nfs/dbraw/zinc/32/50/58/852325058.db2.gz CDIUZUBDNGWTLA-HNNXBMFYSA-N 1 0 421.950 4.319 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)C1 ZINC000071906413 852428985 /nfs/dbraw/zinc/42/89/85/852428985.db2.gz TWRLYIPAUAXULL-HNNXBMFYSA-N 1 0 401.894 4.410 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c1 ZINC000072058249 852489658 /nfs/dbraw/zinc/48/96/58/852489658.db2.gz KONIRZNFLBAMOI-UHFFFAOYSA-N 1 0 417.556 4.426 20 5 HIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000106276034 852766735 /nfs/dbraw/zinc/76/67/35/852766735.db2.gz KXPCOAFGIRWYDN-GJZGRUSLSA-N 1 0 401.463 4.068 20 5 HIBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000107529311 852773231 /nfs/dbraw/zinc/77/32/31/852773231.db2.gz QVUBBNFTQBIZJS-MRXNPFEDSA-N 1 0 422.957 4.163 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000107584791 852779164 /nfs/dbraw/zinc/77/91/64/852779164.db2.gz XGDGICLWAWLOBS-QGZVFWFLSA-N 1 0 411.502 4.155 20 5 HIBDRO CCc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108851305 852885928 /nfs/dbraw/zinc/88/59/28/852885928.db2.gz ZVVJCMQHLVEKNJ-IBGZPJMESA-N 1 0 407.474 4.456 20 5 HIBDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000108971736 852901559 /nfs/dbraw/zinc/90/15/59/852901559.db2.gz SFBHUAXELLNDTA-HNNXBMFYSA-N 1 0 422.485 4.291 20 5 HIBDRO COc1ccc2[nH]cc(C3CC[NH+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000108970762 852901942 /nfs/dbraw/zinc/90/19/42/852901942.db2.gz BRTXDLZAMGJFKE-UHFFFAOYSA-N 1 0 422.485 4.293 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)CC1 ZINC000109893262 853030017 /nfs/dbraw/zinc/03/00/17/853030017.db2.gz GCVIIEBIXSYFIX-UHFFFAOYSA-N 1 0 406.486 4.238 20 5 HIBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000110679807 853137493 /nfs/dbraw/zinc/13/74/93/853137493.db2.gz CBPUPUJNMUXMFI-INIZCTEOSA-N 1 0 403.866 4.207 20 5 HIBDRO C[N@H+](CCc1ccc(Br)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000112563038 853232711 /nfs/dbraw/zinc/23/27/11/853232711.db2.gz LQNSYPVJEUEFMB-UHFFFAOYSA-N 1 0 417.263 4.082 20 5 HIBDRO Cc1cc(NCCc2nccn2Cc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000140909570 853455904 /nfs/dbraw/zinc/45/59/04/853455904.db2.gz ONDZTQCEVMSATE-UHFFFAOYSA-N 1 0 414.469 4.260 20 5 HIBDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000195661392 853743445 /nfs/dbraw/zinc/74/34/45/853743445.db2.gz NYDJYFPAIHFTRA-UHFFFAOYSA-N 1 0 402.882 4.343 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000195718829 853776437 /nfs/dbraw/zinc/77/64/37/853776437.db2.gz LHTUNRNJRINOGB-UHFFFAOYSA-N 1 0 421.291 4.032 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CC[N@@H+](C4CC4)C3)o2)c(Br)c1 ZINC000236569254 853899395 /nfs/dbraw/zinc/89/93/95/853899395.db2.gz LJVPTTXDEUADKN-CYBMUJFWSA-N 1 0 420.307 4.191 20 5 HIBDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000236628750 853905150 /nfs/dbraw/zinc/90/51/50/853905150.db2.gz IZVPZPMRHRMJTL-UHFFFAOYSA-N 1 0 411.483 4.450 20 5 HIBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236888625 853932797 /nfs/dbraw/zinc/93/27/97/853932797.db2.gz DJWBQAUDOMRDFI-KGLIPLIRSA-N 1 0 405.882 4.433 20 5 HIBDRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237122702 853967647 /nfs/dbraw/zinc/96/76/47/853967647.db2.gz OKTZEHBAFSJHBI-MRXNPFEDSA-N 1 0 424.526 4.343 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237281168 853996274 /nfs/dbraw/zinc/99/62/74/853996274.db2.gz YNHJSOVGDRMBGZ-ACJLOTCBSA-N 1 0 420.428 4.085 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3nnc(-c4ccccc4)o3)o2)c([N+](=O)[O-])c1 ZINC000237416266 854027681 /nfs/dbraw/zinc/02/76/81/854027681.db2.gz ZLEOJQMIUUEMSD-UHFFFAOYSA-N 1 0 420.425 4.246 20 5 HIBDRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cn1ccnc1 ZINC000237421247 854029650 /nfs/dbraw/zinc/02/96/50/854029650.db2.gz AKLAWFQZUAFLST-SFHVURJKSA-N 1 0 416.485 4.070 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237425916 854030507 /nfs/dbraw/zinc/03/05/07/854030507.db2.gz OKRYZRNIZTYOFM-OAHLLOKOSA-N 1 0 419.441 4.295 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H](C(=O)NC(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000237439074 854033885 /nfs/dbraw/zinc/03/38/85/854033885.db2.gz YSOOTHJPHBNCSC-JKSUJKDBSA-N 1 0 415.490 4.036 20 5 HIBDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237545879 854052266 /nfs/dbraw/zinc/05/22/66/854052266.db2.gz QCQWOOIJMJVNIA-KRWDZBQOSA-N 1 0 408.502 4.334 20 5 HIBDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000237789000 854097934 /nfs/dbraw/zinc/09/79/34/854097934.db2.gz LMDFZULYMQRGED-UHFFFAOYSA-N 1 0 406.280 4.093 20 5 HIBDRO O=C(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)NCc1ccccc1 ZINC000237814668 854102384 /nfs/dbraw/zinc/10/23/84/854102384.db2.gz RZKZSVUWENFBPZ-UHFFFAOYSA-N 1 0 413.861 4.304 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccnc3-n3cccn3)o2)c(Cl)c1 ZINC000237818775 854103311 /nfs/dbraw/zinc/10/33/11/854103311.db2.gz OSWSIOVJKVEJRI-UHFFFAOYSA-N 1 0 409.833 4.379 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccnc2-n2cccn2)ccc1Oc1ccc(F)cc1 ZINC000237881470 854113766 /nfs/dbraw/zinc/11/37/66/854113766.db2.gz KQYOORBFRJTCDU-UHFFFAOYSA-N 1 0 419.416 4.397 20 5 HIBDRO O=[N+]([O-])c1ccccc1CNCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000237937276 854121756 /nfs/dbraw/zinc/12/17/56/854121756.db2.gz ITGAFCZKSIRQRO-UHFFFAOYSA-N 1 0 416.525 4.207 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000237957669 854125186 /nfs/dbraw/zinc/12/51/86/854125186.db2.gz WMNGBAPDBPKLLM-HSZRJFAPSA-N 1 0 414.465 4.271 20 5 HIBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000237958211 854125432 /nfs/dbraw/zinc/12/54/32/854125432.db2.gz JNYXRKYEJMUHBM-UHFFFAOYSA-N 1 0 419.437 4.021 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)s1 ZINC000237962890 854126147 /nfs/dbraw/zinc/12/61/47/854126147.db2.gz VGHDFKCTZVEWEX-UHFFFAOYSA-N 1 0 423.538 4.445 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCN(Cc4ccccn4)CC3)s2)cc1 ZINC000238000566 854130702 /nfs/dbraw/zinc/13/07/02/854130702.db2.gz WKHXOURZLKJGKS-UHFFFAOYSA-N 1 0 408.527 4.473 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCCN(Cc4ccccc4)C3)cs2)c1 ZINC000238009859 854132688 /nfs/dbraw/zinc/13/26/88/854132688.db2.gz KQYGPIFWNZQWDE-LJQANCHMSA-N 1 0 408.527 4.473 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000238101286 854143434 /nfs/dbraw/zinc/14/34/34/854143434.db2.gz ZVNUZLZWIQRDCR-VGOFRKELSA-N 1 0 406.486 4.088 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301313380 854355322 /nfs/dbraw/zinc/35/53/22/854355322.db2.gz KANWJRGWGMUKSX-GOSISDBHSA-N 1 0 422.529 4.468 20 5 HIBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000301509156 854409742 /nfs/dbraw/zinc/40/97/42/854409742.db2.gz ASASWUMNQBYCSW-HIFRSBDPSA-N 1 0 405.296 4.217 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301567337 854421894 /nfs/dbraw/zinc/42/18/94/854421894.db2.gz JZTDVNDYESPUEF-PXNSSMCTSA-N 1 0 410.518 4.056 20 5 HIBDRO O=[N+]([O-])c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)cc1C(F)(F)F ZINC000301814004 854470306 /nfs/dbraw/zinc/47/03/06/854470306.db2.gz GAZZDOMNNJIADC-UHFFFAOYSA-N 1 0 413.425 4.158 20 5 HIBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1C1CC[NH2+]CC1 ZINC000301829136 854472123 /nfs/dbraw/zinc/47/21/23/854472123.db2.gz OSVLJZFJNRHBBK-UHFFFAOYSA-N 1 0 415.441 4.404 20 5 HIBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000301923525 854494425 /nfs/dbraw/zinc/49/44/25/854494425.db2.gz FUAADRYXIZAQOX-UHFFFAOYSA-N 1 0 423.560 4.048 20 5 HIBDRO Cc1cc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302104319 854531133 /nfs/dbraw/zinc/53/11/33/854531133.db2.gz WNFLVUFQZHNERW-KRWDZBQOSA-N 1 0 404.470 4.098 20 5 HIBDRO Cc1cc(C(=O)NC2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)c(C)o1 ZINC000302178512 854544345 /nfs/dbraw/zinc/54/43/45/854544345.db2.gz NITOCCFWBMOQPO-UHFFFAOYSA-N 1 0 408.458 4.060 20 5 HIBDRO Cc1cc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302485726 854575353 /nfs/dbraw/zinc/57/53/53/854575353.db2.gz IEGBSNNVSRIFID-UHFFFAOYSA-N 1 0 400.479 4.335 20 5 HIBDRO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000302902723 854673051 /nfs/dbraw/zinc/67/30/51/854673051.db2.gz XRPAXEFBIQDREJ-UHFFFAOYSA-N 1 0 421.419 4.270 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303494368 854983606 /nfs/dbraw/zinc/98/36/06/854983606.db2.gz QJLYWYUMVJUYJB-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000303754848 855175311 /nfs/dbraw/zinc/17/53/11/855175311.db2.gz MUBXLQSGHMTQAL-NVXWUHKLSA-N 1 0 401.894 4.373 20 5 HIBDRO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000303963332 855324280 /nfs/dbraw/zinc/32/42/80/855324280.db2.gz XKCXUPGWJMVVIJ-INIZCTEOSA-N 1 0 403.866 4.207 20 5 HIBDRO COCC1(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 ZINC000409844659 855683595 /nfs/dbraw/zinc/68/35/95/855683595.db2.gz NCOWZICJDTUILU-LJQANCHMSA-N 1 0 417.893 4.334 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425987432 856032297 /nfs/dbraw/zinc/03/22/97/856032297.db2.gz ZLAXTUJSPDOPLL-UHFFFAOYSA-N 1 0 422.529 4.181 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000437465979 862827925 /nfs/dbraw/zinc/82/79/25/862827925.db2.gz HRNURRAGCWIWSL-ROUUACIJSA-N 1 0 413.543 4.198 20 5 HIBDRO C[C@@H](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000427472728 856836115 /nfs/dbraw/zinc/83/61/15/856836115.db2.gz RXYXTJNCVKYNME-SFHVURJKSA-N 1 0 411.502 4.168 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428556438 857265112 /nfs/dbraw/zinc/26/51/12/857265112.db2.gz FXNNSSHXNWHMNU-LJQANCHMSA-N 1 0 420.465 4.145 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000428919158 857414258 /nfs/dbraw/zinc/41/42/58/857414258.db2.gz DSNKZUNKYVJFBB-LQWHRVPQSA-N 1 0 410.518 4.317 20 5 HIBDRO C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1OCCc2sccc21 ZINC000429158638 857534852 /nfs/dbraw/zinc/53/48/52/857534852.db2.gz CRYWEJZCMNHECX-BWACUDIHSA-N 1 0 400.460 4.059 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000429430555 857663718 /nfs/dbraw/zinc/66/37/18/857663718.db2.gz RXVKTNVJMQLMSQ-ZBFHGGJFSA-N 1 0 407.308 4.168 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000429861600 857915179 /nfs/dbraw/zinc/91/51/79/857915179.db2.gz WXMSHJVIXKELFF-NRFANRHFSA-N 1 0 413.518 4.080 20 5 HIBDRO CCn1c2ccccc2nc1[C@H]1CCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000437640910 862968970 /nfs/dbraw/zinc/96/89/70/862968970.db2.gz NYORVMFBSYPWFG-LJQANCHMSA-N 1 0 410.474 4.189 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000430194919 858076309 /nfs/dbraw/zinc/07/63/09/858076309.db2.gz LJNQYNYIYDGTQG-INIZCTEOSA-N 1 0 412.421 4.172 20 5 HIBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000431028722 858409573 /nfs/dbraw/zinc/40/95/73/858409573.db2.gz SXLRRVXHVBVDOH-OAHLLOKOSA-N 1 0 424.339 4.086 20 5 HIBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1OC ZINC000431120018 858454970 /nfs/dbraw/zinc/45/49/70/858454970.db2.gz SSGIQSCYJDQCFK-UHFFFAOYSA-N 1 0 413.474 4.159 20 5 HIBDRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000431160300 858478628 /nfs/dbraw/zinc/47/86/28/858478628.db2.gz UIUAXWWKPKQVBV-UHFFFAOYSA-N 1 0 401.532 4.482 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431335702 858571008 /nfs/dbraw/zinc/57/10/08/858571008.db2.gz DZRVWIZYZIHHOX-HUUCEWRRSA-N 1 0 424.339 4.084 20 5 HIBDRO CC(C)(NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431876637 858851247 /nfs/dbraw/zinc/85/12/47/858851247.db2.gz WUSFSGIYJUDKFY-UHFFFAOYSA-N 1 0 410.518 4.315 20 5 HIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433228344 859578776 /nfs/dbraw/zinc/57/87/76/859578776.db2.gz OVEXQADZLREZIL-OXJNMPFZSA-N 1 0 421.476 4.319 20 5 HIBDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433297986 859624130 /nfs/dbraw/zinc/62/41/30/859624130.db2.gz MYRDXSXJWIVCGO-QRWLVFNGSA-N 1 0 402.516 4.159 20 5 HIBDRO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000433993018 860023503 /nfs/dbraw/zinc/02/35/03/860023503.db2.gz GWBLJZGIJSYHEP-UHFFFAOYSA-N 1 0 413.522 4.136 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000467700758 881496130 /nfs/dbraw/zinc/49/61/30/881496130.db2.gz NOODGPZGMGPWSC-BBRMVZONSA-N 1 0 407.392 4.006 20 5 HIBDRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434796107 860497762 /nfs/dbraw/zinc/49/77/62/860497762.db2.gz PFOSDRHETBXINL-ZDUSSCGKSA-N 1 0 408.549 4.120 20 5 HIBDRO Cc1c(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330622 860741448 /nfs/dbraw/zinc/74/14/48/860741448.db2.gz UXABWKCSUAVBPJ-UHFFFAOYSA-N 1 0 413.316 4.096 20 5 HIBDRO CCc1ccc([C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[NH+](C)C)cc1 ZINC000435836145 861098263 /nfs/dbraw/zinc/09/82/63/861098263.db2.gz OXWZONYTOLPZOC-DEOSSOPVSA-N 1 0 413.521 4.276 20 5 HIBDRO C[N@H+](CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 ZINC000435874721 861134216 /nfs/dbraw/zinc/13/42/16/861134216.db2.gz NCTRUGFWYUTTLO-UHFFFAOYSA-N 1 0 409.505 4.205 20 5 HIBDRO C[C@@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000467842385 881682621 /nfs/dbraw/zinc/68/26/21/881682621.db2.gz QXHRLDWOROMFCQ-FOIQADDNSA-N 1 0 423.435 4.338 20 5 HIBDRO COc1ccc(CN(C)[C@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438482349 863898796 /nfs/dbraw/zinc/89/87/96/863898796.db2.gz YAZRQXBRUWYWKX-HNNXBMFYSA-N 1 0 407.264 4.322 20 5 HIBDRO C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000438552370 863982339 /nfs/dbraw/zinc/98/23/39/863982339.db2.gz HULUFQBOYNNEMK-UHFFFAOYSA-N 1 0 406.866 4.014 20 5 HIBDRO Cc1ccc(Br)cc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000438913109 864392669 /nfs/dbraw/zinc/39/26/69/864392669.db2.gz XVPFOHMHPCIZDZ-UHFFFAOYSA-N 1 0 415.291 4.356 20 5 HIBDRO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065521 864517296 /nfs/dbraw/zinc/51/72/96/864517296.db2.gz AUEBVWKTJMXLPB-IERDGZPVSA-N 1 0 411.506 4.063 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCOCc1ccccc1 ZINC000439479258 864846496 /nfs/dbraw/zinc/84/64/96/864846496.db2.gz RISPJRPEQGTUGC-HNNXBMFYSA-N 1 0 405.882 4.114 20 5 HIBDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000440650832 865856983 /nfs/dbraw/zinc/85/69/83/865856983.db2.gz WAHJRUSLASAGCR-NSHDSACASA-N 1 0 424.320 4.369 20 5 HIBDRO C[C@H](c1ccco1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000440901364 865997456 /nfs/dbraw/zinc/99/74/56/865997456.db2.gz YRVNTQOVEPBCQS-LLVKDONJSA-N 1 0 408.252 4.114 20 5 HIBDRO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000442730018 867652641 /nfs/dbraw/zinc/65/26/41/867652641.db2.gz MGNNYLKUMLEEOA-KRWDZBQOSA-N 1 0 411.527 4.446 20 5 HIBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442730822 867653069 /nfs/dbraw/zinc/65/30/69/867653069.db2.gz FZTPZYGZEXNHJU-INIZCTEOSA-N 1 0 411.527 4.493 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443349680 867920459 /nfs/dbraw/zinc/92/04/59/867920459.db2.gz VJVKCJBRMFIPIE-LLVKDONJSA-N 1 0 412.309 4.407 20 5 HIBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC([NH+]2CCCCC2)CC1 ZINC000443435408 868019076 /nfs/dbraw/zinc/01/90/76/868019076.db2.gz GIJRAIGHBDGALT-UHFFFAOYSA-N 1 0 419.323 4.360 20 5 HIBDRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250672 882155048 /nfs/dbraw/zinc/15/50/48/882155048.db2.gz LPSPEKKGMCYRNP-HZPDHXFCSA-N 1 0 404.536 4.028 20 5 HIBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000443859126 868392008 /nfs/dbraw/zinc/39/20/08/868392008.db2.gz WVCDUWRVSCXWBP-HNNXBMFYSA-N 1 0 405.376 4.238 20 5 HIBDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c(C)c2)CC1 ZINC000443950515 868486902 /nfs/dbraw/zinc/48/69/02/868486902.db2.gz VIZMDJFHYRHQGL-UHFFFAOYSA-N 1 0 411.506 4.306 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000443961718 868494996 /nfs/dbraw/zinc/49/49/96/868494996.db2.gz JYVRHLHSSHFAAS-IBGZPJMESA-N 1 0 412.490 4.179 20 5 HIBDRO C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@H+](C)Cc1ccccc1 ZINC000444004971 868526628 /nfs/dbraw/zinc/52/66/28/868526628.db2.gz UFRBAKHHEYCMRL-MRXNPFEDSA-N 1 0 417.484 4.071 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444032414 868565701 /nfs/dbraw/zinc/56/57/01/868565701.db2.gz KOOVGUUTMPAZNU-RTBURBONSA-N 1 0 417.553 4.408 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444036141 868572594 /nfs/dbraw/zinc/57/25/94/868572594.db2.gz XTIOVLFOZOPWEZ-UHFFFAOYSA-N 1 0 405.542 4.265 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000444856688 869058509 /nfs/dbraw/zinc/05/85/09/869058509.db2.gz ZOHNBGRMQVJVGZ-HDICACEKSA-N 1 0 405.542 4.169 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444861783 869063342 /nfs/dbraw/zinc/06/33/42/869063342.db2.gz UZZOIOKVQMIBMZ-UHFFFAOYSA-N 1 0 411.505 4.207 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC2)CC1 ZINC000445137769 869238252 /nfs/dbraw/zinc/23/82/52/869238252.db2.gz OQAKYJAZYQGKPM-UHFFFAOYSA-N 1 0 417.553 4.454 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000445831805 869850528 /nfs/dbraw/zinc/85/05/28/869850528.db2.gz HKVPPYIYQSKJLH-HXUWFJFHSA-N 1 0 401.894 4.134 20 5 HIBDRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446837037 870754745 /nfs/dbraw/zinc/75/47/45/870754745.db2.gz UTTLGNBPLUNLGB-SNVBAGLBSA-N 1 0 407.243 4.094 20 5 HIBDRO CN(C)c1noc([C@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)n1 ZINC000446975189 870873669 /nfs/dbraw/zinc/87/36/69/870873669.db2.gz PUYWSUFRDHJLEK-HNNXBMFYSA-N 1 0 413.503 4.152 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000447431377 871334923 /nfs/dbraw/zinc/33/49/23/871334923.db2.gz MILCJGYUMGTXPK-UHFFFAOYSA-N 1 0 410.392 4.418 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)n1 ZINC000447527343 871392327 /nfs/dbraw/zinc/39/23/27/871392327.db2.gz FQSNBHCDCINJEN-MOPGFXCFSA-N 1 0 411.437 4.391 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccc(F)c(Br)c2)n1 ZINC000447533305 871397973 /nfs/dbraw/zinc/39/79/73/871397973.db2.gz XKXKYINOTSALQL-HOTGVXAUSA-N 1 0 411.275 4.009 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC1CCCC1 ZINC000447561234 871453540 /nfs/dbraw/zinc/45/35/40/871453540.db2.gz GZGUPLVXHKDDRD-RBUKOAKNSA-N 1 0 414.506 4.395 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(COCC(F)(F)F)c2)n1 ZINC000447582874 871487005 /nfs/dbraw/zinc/48/70/05/871487005.db2.gz ACIJAWJRIUPGPC-IAGOWNOFSA-N 1 0 412.412 4.144 20 5 HIBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)nc2)C1 ZINC000448184601 872062017 /nfs/dbraw/zinc/06/20/17/872062017.db2.gz GTZMNOKMJANQAW-LJQANCHMSA-N 1 0 411.509 4.176 20 5 HIBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448444069 872386327 /nfs/dbraw/zinc/38/63/27/872386327.db2.gz APCKJFQKXPPQRN-GCJKJVERSA-N 1 0 420.513 4.427 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000468635375 882766723 /nfs/dbraw/zinc/76/67/23/882766723.db2.gz ORCIGQDXTWLYBD-GIIHOQTISA-N 1 0 410.392 4.046 20 5 HIBDRO C[C@H](c1ccsc1)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000462457403 875563259 /nfs/dbraw/zinc/56/32/59/875563259.db2.gz ZLNDFMVYYOYJNC-MRXNPFEDSA-N 1 0 412.515 4.233 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462621718 875733221 /nfs/dbraw/zinc/73/32/21/875733221.db2.gz RZDKCRBPAVSZKU-SIKLNZKXSA-N 1 0 409.530 4.287 20 5 HIBDRO COc1cc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000462925852 875955567 /nfs/dbraw/zinc/95/55/67/875955567.db2.gz PRHKJOHUBJLCKZ-UHFFFAOYSA-N 1 0 409.408 4.335 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC000462959855 875974010 /nfs/dbraw/zinc/97/40/10/875974010.db2.gz WMHIXUJUUXHGGB-SFHVURJKSA-N 1 0 410.518 4.324 20 5 HIBDRO O=[N+]([O-])c1cc(CNC2CC[NH+](CCc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000463245408 876303310 /nfs/dbraw/zinc/30/33/10/876303310.db2.gz LOGDMKVHKDHUBL-UHFFFAOYSA-N 1 0 407.436 4.410 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000463275527 876333115 /nfs/dbraw/zinc/33/31/15/876333115.db2.gz VVAWFVZDQSBFCL-UHFFFAOYSA-N 1 0 405.901 4.227 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463281622 876337266 /nfs/dbraw/zinc/33/72/66/876337266.db2.gz VWTBFIOKUQATMD-AVRDEDQJSA-N 1 0 410.518 4.035 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463441110 876498933 /nfs/dbraw/zinc/49/89/33/876498933.db2.gz HXPFRIKWYZJFHJ-GAJHUEQPSA-N 1 0 422.485 4.023 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463448178 876508292 /nfs/dbraw/zinc/50/82/92/876508292.db2.gz GJIFHMOBBIXGGC-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000463482976 876541454 /nfs/dbraw/zinc/54/14/54/876541454.db2.gz DUIQBAFSIRRJBH-HNNXBMFYSA-N 1 0 413.440 4.342 20 5 HIBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000463630029 876747988 /nfs/dbraw/zinc/74/79/88/876747988.db2.gz PTUMNFMTOSBCBA-OAHLLOKOSA-N 1 0 413.440 4.198 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463753191 876876287 /nfs/dbraw/zinc/87/62/87/876876287.db2.gz CQHOPTMUZGQBEH-UHFFFAOYSA-N 1 0 409.408 4.384 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463755828 876879011 /nfs/dbraw/zinc/87/90/11/876879011.db2.gz OKHVPIOXQSNHAP-MRXNPFEDSA-N 1 0 413.440 4.388 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000465183008 878571541 /nfs/dbraw/zinc/57/15/41/878571541.db2.gz HBGKFIKBPUJFSV-CQSZACIVSA-N 1 0 403.866 4.221 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2)C1 ZINC000465195884 878596119 /nfs/dbraw/zinc/59/61/19/878596119.db2.gz OHNFTJUSMAAWDF-CQSZACIVSA-N 1 0 403.866 4.221 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503381934 912366326 /nfs/dbraw/zinc/36/63/26/912366326.db2.gz GGFFAGVIZGSSGJ-XCLFUZPHSA-N 1 0 403.866 4.110 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)co2)cc1 ZINC000503430433 912429358 /nfs/dbraw/zinc/42/93/58/912429358.db2.gz CSRVLBBPZIATKF-KRWDZBQOSA-N 1 0 407.474 4.162 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466229596 879931100 /nfs/dbraw/zinc/93/11/00/879931100.db2.gz VJCJWMKSTHYRCY-OAHLLOKOSA-N 1 0 416.909 4.273 20 5 HIBDRO CC(C)c1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000466361463 880118595 /nfs/dbraw/zinc/11/85/95/880118595.db2.gz AGTBAMFPSUJQGV-UHFFFAOYSA-N 1 0 403.910 4.498 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466584565 880358100 /nfs/dbraw/zinc/35/81/00/880358100.db2.gz CRHRAXKWXDGLCX-UHFFFAOYSA-N 1 0 416.909 4.020 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000467001596 880810367 /nfs/dbraw/zinc/81/03/67/880810367.db2.gz IPGMVNFHXGQQQP-CZUORRHYSA-N 1 0 407.392 4.065 20 5 HIBDRO Cc1c(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000469467376 883688262 /nfs/dbraw/zinc/68/82/62/883688262.db2.gz VKBRLCONAGCRBN-QGZVFWFLSA-N 1 0 410.396 4.346 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000470170045 884448056 /nfs/dbraw/zinc/44/80/56/884448056.db2.gz NRMWGKLQYFRBST-RVDMUPIBSA-N 1 0 414.893 4.397 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000470603183 885029691 /nfs/dbraw/zinc/02/96/91/885029691.db2.gz WINBVYWYDWPTOH-INIZCTEOSA-N 1 0 415.799 4.300 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470665965 885093221 /nfs/dbraw/zinc/09/32/21/885093221.db2.gz GYBVOSAGQRLPEL-FXAWDEMLSA-N 1 0 413.543 4.198 20 5 HIBDRO COCCSc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000504030407 912931472 /nfs/dbraw/zinc/93/14/72/912931472.db2.gz JUCQGUJIPYDWKP-AWEZNQCLSA-N 1 0 404.488 4.051 20 5 HIBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000471564363 886272572 /nfs/dbraw/zinc/27/25/72/886272572.db2.gz SRBPQSHOFGQJQJ-ZSZQSSIHSA-N 1 0 403.866 4.085 20 5 HIBDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000471937584 886734638 /nfs/dbraw/zinc/73/46/38/886734638.db2.gz SUFHXOLWVWXCIK-KNQAVFIVSA-N 1 0 424.501 4.320 20 5 HIBDRO COc1cccc(C=C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000473028543 887851894 /nfs/dbraw/zinc/85/18/94/887851894.db2.gz ZMYMWWNNCLKFMZ-UHFFFAOYSA-N 1 0 409.486 4.420 20 5 HIBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000473266404 888026542 /nfs/dbraw/zinc/02/65/42/888026542.db2.gz VRISQZDOFNRSOM-UHFFFAOYSA-N 1 0 421.501 4.106 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000473550806 888288651 /nfs/dbraw/zinc/28/86/51/888288651.db2.gz MHWTYAZZOUJAIL-UHFFFAOYSA-N 1 0 414.531 4.245 20 5 HIBDRO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473790447 888604392 /nfs/dbraw/zinc/60/43/92/888604392.db2.gz UXNUXWIBEJWBGM-KNQAVFIVSA-N 1 0 408.502 4.422 20 5 HIBDRO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473945097 888821551 /nfs/dbraw/zinc/82/15/51/888821551.db2.gz MJMIISFKIKAFIZ-GCJKJVERSA-N 1 0 410.518 4.004 20 5 HIBDRO 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 888826064 /nfs/dbraw/zinc/82/60/64/888826064.db2.gz SVZSMPKXNXYSLU-FOUBCARRSA-N 1 0 410.518 4.112 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000474003905 888862678 /nfs/dbraw/zinc/86/26/78/888862678.db2.gz ZPSBQFMWNLZGIK-JPYJTQIMSA-N 1 0 412.486 4.196 20 5 HIBDRO NC(=O)c1ccc(C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000474222737 889062134 /nfs/dbraw/zinc/06/21/34/889062134.db2.gz GRXBLZLDWLVHFJ-UHFFFAOYSA-N 1 0 407.392 4.092 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474355806 889233055 /nfs/dbraw/zinc/23/30/55/889233055.db2.gz SWPIDNUXQFWJMV-HXUWFJFHSA-N 1 0 422.428 4.302 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000474355847 889233920 /nfs/dbraw/zinc/23/39/20/889233920.db2.gz QQFPKWHOSUEZAK-NSHDSACASA-N 1 0 413.257 4.304 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1[N+](=O)[O-] ZINC000474364117 889242392 /nfs/dbraw/zinc/24/23/92/889242392.db2.gz TVUUEQAIXONYRZ-QFIPXVFZSA-N 1 0 416.449 4.307 20 5 HIBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000475196348 890065227 /nfs/dbraw/zinc/06/52/27/890065227.db2.gz UTQKYDVEMYUTBN-OLZOCXBDSA-N 1 0 414.428 4.388 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3(S(C)(=O)=O)CCC3)cc2[N+](=O)[O-])cc1 ZINC000475428650 890348339 /nfs/dbraw/zinc/34/83/39/890348339.db2.gz FWPGBLJZBPKBNE-UHFFFAOYSA-N 1 0 420.556 4.111 20 5 HIBDRO COc1cc(C[NH+]2CCC(n3c(C)nc4ccccc43)CC2)c([N+](=O)[O-])cc1OC ZINC000475499961 890410265 /nfs/dbraw/zinc/41/02/65/890410265.db2.gz BUPJGAGZQVEPMC-UHFFFAOYSA-N 1 0 410.474 4.107 20 5 HIBDRO COc1ccc([C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[NH+]2CCCC2)cc1 ZINC000475547001 890472520 /nfs/dbraw/zinc/47/25/20/890472520.db2.gz MPIRSWRZGUNFNO-NRFANRHFSA-N 1 0 412.490 4.179 20 5 HIBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476181157 891112931 /nfs/dbraw/zinc/11/29/31/891112931.db2.gz OGRUUSGETDJILS-APWZRJJASA-N 1 0 410.474 4.478 20 5 HIBDRO CC(C)OCC[NH+]1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000476203170 891133845 /nfs/dbraw/zinc/13/38/45/891133845.db2.gz TXGUVCFCWVSQOG-UHFFFAOYSA-N 1 0 411.502 4.127 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000476986039 891912342 /nfs/dbraw/zinc/91/23/42/891912342.db2.gz QMJFUZZICMFCAX-KRWDZBQOSA-N 1 0 413.522 4.121 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000476986040 891912591 /nfs/dbraw/zinc/91/25/91/891912591.db2.gz QMJFUZZICMFCAX-QGZVFWFLSA-N 1 0 413.522 4.121 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000477015826 891942271 /nfs/dbraw/zinc/94/22/71/891942271.db2.gz YPCNYNJVMUBHLT-ZIAGYGMSSA-N 1 0 405.882 4.319 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000504905787 913638751 /nfs/dbraw/zinc/63/87/51/913638751.db2.gz NSDNLJOXABDJKS-MRXNPFEDSA-N 1 0 401.482 4.448 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccc(C)c2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504906353 913640581 /nfs/dbraw/zinc/64/05/81/913640581.db2.gz WXURVKKXJHSNOT-GCJKJVERSA-N 1 0 413.518 4.026 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OC)c(NC(C)=O)c1 ZINC000504912704 913647216 /nfs/dbraw/zinc/64/72/16/913647216.db2.gz ZSVSLAGHFRUZKX-MRXNPFEDSA-N 1 0 403.504 4.222 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000477379297 892339165 /nfs/dbraw/zinc/33/91/65/892339165.db2.gz ZTQFGTPTRRTVBQ-YQQQUEKLSA-N 1 0 413.905 4.482 20 5 HIBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000477929439 893017556 /nfs/dbraw/zinc/01/75/56/893017556.db2.gz HVSHQSHRPCHLQI-HJNYFJLDSA-N 1 0 407.514 4.005 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c(F)c1 ZINC000478237897 893401523 /nfs/dbraw/zinc/40/15/23/893401523.db2.gz VYOCFDTXDZVFES-UHFFFAOYSA-N 1 0 409.255 4.292 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000478359655 893613227 /nfs/dbraw/zinc/61/32/27/893613227.db2.gz KQVUSRCJMIAOKH-MRXNPFEDSA-N 1 0 405.564 4.433 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000505081223 913808622 /nfs/dbraw/zinc/80/86/22/913808622.db2.gz XEQLIIRZOISPKM-UHFFFAOYSA-N 1 0 424.339 4.130 20 5 HIBDRO CSc1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000478631262 893886035 /nfs/dbraw/zinc/88/60/35/893886035.db2.gz KBQQSFUFUTWAPX-MRXNPFEDSA-N 1 0 405.564 4.433 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000479361175 894660153 /nfs/dbraw/zinc/66/01/53/894660153.db2.gz HSEXKGHQQYBYTD-KRWDZBQOSA-N 1 0 411.502 4.298 20 5 HIBDRO O=C1[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1c1ccccc1C(F)(F)F ZINC000479418659 894729030 /nfs/dbraw/zinc/72/90/30/894729030.db2.gz KHVCUGPLNAASND-WRLNGNIRSA-N 1 0 405.376 4.022 20 5 HIBDRO C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479442753 894759526 /nfs/dbraw/zinc/75/95/26/894759526.db2.gz YFTDBNBGIAJOID-MSOLQXFVSA-N 1 0 402.539 4.342 20 5 HIBDRO COc1cc(CN2CCC[N@@H+](C(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000505300978 913961835 /nfs/dbraw/zinc/96/18/35/913961835.db2.gz CFHRXODKJVFIFS-UHFFFAOYSA-N 1 0 413.518 4.099 20 5 HIBDRO Cc1c(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000480060624 895409206 /nfs/dbraw/zinc/40/92/06/895409206.db2.gz ARQOETIWVXMGEA-DEOSSOPVSA-N 1 0 422.529 4.101 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2CNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000480431826 895824922 /nfs/dbraw/zinc/82/49/22/895824922.db2.gz LMHZUBZTTBNGCP-IRXDYDNUSA-N 1 0 406.486 4.364 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](CO)Cc3ccc(F)c(F)c3)o2)c1 ZINC000480439112 895829567 /nfs/dbraw/zinc/82/95/67/895829567.db2.gz CELOMZASGDMVLP-HNNXBMFYSA-N 1 0 402.397 4.074 20 5 HIBDRO Cc1c(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cccc1[N+](=O)[O-] ZINC000480446962 895835584 /nfs/dbraw/zinc/83/55/84/895835584.db2.gz RTYKHOWLBKZQBI-UHFFFAOYSA-N 1 0 404.392 4.457 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)o1 ZINC000480454489 895841312 /nfs/dbraw/zinc/84/13/12/895841312.db2.gz PWJKEBLEAVHSBI-HNNXBMFYSA-N 1 0 402.397 4.074 20 5 HIBDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000480459192 895845083 /nfs/dbraw/zinc/84/50/83/895845083.db2.gz HFHSMTUFQWDLAJ-KSFYIVLOSA-N 1 0 411.527 4.438 20 5 HIBDRO CCOCCOc1ccc(Br)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480481920 895859265 /nfs/dbraw/zinc/85/92/65/895859265.db2.gz KVUQWRIJMXHXHP-UHFFFAOYSA-N 1 0 423.307 4.371 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)c1ccccn1 ZINC000480877614 896236131 /nfs/dbraw/zinc/23/61/31/896236131.db2.gz IRXMOBBSZIAZQU-QFIPXVFZSA-N 1 0 416.481 4.353 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)o2)c1 ZINC000481691920 897077683 /nfs/dbraw/zinc/07/76/83/897077683.db2.gz GQSJNKABBVIGPQ-QHCPKHFHSA-N 1 0 405.454 4.314 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000481807105 897184362 /nfs/dbraw/zinc/18/43/62/897184362.db2.gz NVSVECPWNBURFS-UHFFFAOYSA-N 1 0 413.543 4.274 20 5 HIBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000482398206 897936281 /nfs/dbraw/zinc/93/62/81/897936281.db2.gz ASYDVLLEELUBEM-UHFFFAOYSA-N 1 0 413.499 4.022 20 5 HIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000482534671 898121102 /nfs/dbraw/zinc/12/11/02/898121102.db2.gz JUFCDYBTENLLPE-IAGOWNOFSA-N 1 0 400.498 4.206 20 5 HIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000482596731 898198618 /nfs/dbraw/zinc/19/86/18/898198618.db2.gz HHGQKUFAUKLEEV-UHFFFAOYSA-N 1 0 410.518 4.453 20 5 HIBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482818941 898428100 /nfs/dbraw/zinc/42/81/00/898428100.db2.gz QPNVCEMXUVXDNW-OAHLLOKOSA-N 1 0 420.494 4.212 20 5 HIBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037885 898705435 /nfs/dbraw/zinc/70/54/35/898705435.db2.gz FGJJLQKKJDBDPA-JTHBVZDNSA-N 1 0 411.502 4.474 20 5 HIBDRO CCCOc1ccc(C(C)(C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000483284702 898920509 /nfs/dbraw/zinc/92/05/09/898920509.db2.gz INQUDAPTAWTFRF-UHFFFAOYSA-N 1 0 413.474 4.207 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483586354 899237792 /nfs/dbraw/zinc/23/77/92/899237792.db2.gz WDQVXCCALVLSQG-UWJYYQICSA-N 1 0 413.905 4.375 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000483710563 899367515 /nfs/dbraw/zinc/36/75/15/899367515.db2.gz IABGUPZXHXGJDQ-FZKQIMNGSA-N 1 0 405.401 4.042 20 5 HIBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)C1 ZINC000505658801 914357158 /nfs/dbraw/zinc/35/71/58/914357158.db2.gz OYGFHNKRVHCPSA-QFIPXVFZSA-N 1 0 411.527 4.304 20 5 HIBDRO CCc1ccc([C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cc1 ZINC000484566666 900037760 /nfs/dbraw/zinc/03/77/60/900037760.db2.gz HHOREBRCDMUZMY-QFIPXVFZSA-N 1 0 407.470 4.428 20 5 HIBDRO Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC[C@H]2CCOC2)c1 ZINC000484633199 900082926 /nfs/dbraw/zinc/08/29/26/900082926.db2.gz OSXAEZPCEJNYNY-PGRDOPGGSA-N 1 0 410.514 4.429 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484950590 900317058 /nfs/dbraw/zinc/31/70/58/900317058.db2.gz XKNBGLQNCLKQOS-LEWJYISDSA-N 1 0 407.514 4.114 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000485162883 900461834 /nfs/dbraw/zinc/46/18/34/900461834.db2.gz SGVIZEYNHIHGRK-YLJYHZDGSA-N 1 0 410.518 4.056 20 5 HIBDRO CSc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517399 900801328 /nfs/dbraw/zinc/80/13/28/900801328.db2.gz SCZAXIMEYMJSKP-NVXWUHKLSA-N 1 0 423.897 4.284 20 5 HIBDRO COC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000505853252 914501017 /nfs/dbraw/zinc/50/10/17/914501017.db2.gz JJXJGIXUKOZONC-UHFFFAOYSA-N 1 0 423.263 4.002 20 5 HIBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cc(F)cc(Br)c1 ZINC000485828426 901074713 /nfs/dbraw/zinc/07/47/13/901074713.db2.gz JZKYQLAXIBEVOB-MRXNPFEDSA-N 1 0 424.270 4.484 20 5 HIBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000486368288 901535237 /nfs/dbraw/zinc/53/52/37/901535237.db2.gz AEDZQOFBUHBPBY-UHFFFAOYSA-N 1 0 419.481 4.165 20 5 HIBDRO CSc1cccc(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486416797 901575039 /nfs/dbraw/zinc/57/50/39/901575039.db2.gz NNKOZAIVJSINOZ-HOTGVXAUSA-N 1 0 413.543 4.203 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486822813 901876559 /nfs/dbraw/zinc/87/65/59/901876559.db2.gz OVXIZXYSBXZSMI-PRCFCKQXSA-N 1 0 419.485 4.463 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000505925246 914573661 /nfs/dbraw/zinc/57/36/61/914573661.db2.gz QFYSKWZTFOUJAR-OKZBNKHCSA-N 1 0 405.564 4.188 20 5 HIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486835685 901886639 /nfs/dbraw/zinc/88/66/39/901886639.db2.gz SDYHDMZFLNZNRI-JLTOFOAXSA-N 1 0 402.882 4.137 20 5 HIBDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000486964284 901992606 /nfs/dbraw/zinc/99/26/06/901992606.db2.gz HZLPMOIWTQYBCX-UHFFFAOYSA-N 1 0 406.364 4.302 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000487774377 902356842 /nfs/dbraw/zinc/35/68/42/902356842.db2.gz RRZHZESTHOXENF-FQEVSTJZSA-N 1 0 422.529 4.155 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000487915472 902449815 /nfs/dbraw/zinc/44/98/15/902449815.db2.gz KVDBGIJPMSDSIH-JKSUJKDBSA-N 1 0 406.442 4.460 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487935587 902465782 /nfs/dbraw/zinc/46/57/82/902465782.db2.gz NQJGMKFANJROFL-ZHRRBRCNSA-N 1 0 418.453 4.238 20 5 HIBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000488940878 903088164 /nfs/dbraw/zinc/08/81/64/903088164.db2.gz JMANJBUILNQCBZ-INIZCTEOSA-N 1 0 411.527 4.493 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000489027018 903131053 /nfs/dbraw/zinc/13/10/53/903131053.db2.gz KYIGCMWVPOKLHJ-YWZLYKJASA-N 1 0 417.481 4.453 20 5 HIBDRO C[C@H]([NH2+][C@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489039796 903145724 /nfs/dbraw/zinc/14/57/24/903145724.db2.gz SZTIOLFQGAIENA-IFXJQAMLSA-N 1 0 403.454 4.144 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000489143092 903228660 /nfs/dbraw/zinc/22/86/60/903228660.db2.gz UAWRNMBGTUDKJI-VQIMIIECSA-N 1 0 400.479 4.002 20 5 HIBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000489300558 903319020 /nfs/dbraw/zinc/31/90/20/903319020.db2.gz YSONZEMSYFMMPL-UHFFFAOYSA-N 1 0 408.458 4.193 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000489304543 903321006 /nfs/dbraw/zinc/32/10/06/903321006.db2.gz IDXYYYXYLXMFNX-UHFFFAOYSA-N 1 0 415.515 4.434 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489585772 903480288 /nfs/dbraw/zinc/48/02/88/903480288.db2.gz QHQROXJLEAFGOH-AMZGXZFVSA-N 1 0 422.529 4.459 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl ZINC000490050653 903744473 /nfs/dbraw/zinc/74/44/73/903744473.db2.gz RAEYXCKKPHXNRE-UHFFFAOYSA-N 1 0 403.866 4.250 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cc(Br)cn1 ZINC000490236980 903845411 /nfs/dbraw/zinc/84/54/11/903845411.db2.gz BQXWCQPWGNULAH-CQSZACIVSA-N 1 0 413.341 4.104 20 5 HIBDRO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490339559 903930127 /nfs/dbraw/zinc/93/01/27/903930127.db2.gz JMSODWUQOBMGTK-AWEZNQCLSA-N 1 0 422.428 4.245 20 5 HIBDRO CC(C)Cc1ccc([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000490490956 904044279 /nfs/dbraw/zinc/04/42/79/904044279.db2.gz IOFFKQMAGSSZNR-IBGZPJMESA-N 1 0 403.910 4.479 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000491085082 904420477 /nfs/dbraw/zinc/42/04/77/904420477.db2.gz LWHYHVPOZXDTES-QGZVFWFLSA-N 1 0 413.543 4.443 20 5 HIBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000491288200 904518841 /nfs/dbraw/zinc/51/88/41/904518841.db2.gz DCOXQWBHQDUMPF-FQEVSTJZSA-N 1 0 422.529 4.011 20 5 HIBDRO O=C(c1ccco1)N1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491388261 904572268 /nfs/dbraw/zinc/57/22/68/904572268.db2.gz ZPPZROTWPJHKPW-QFIPXVFZSA-N 1 0 405.454 4.172 20 5 HIBDRO COc1ccc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492577096 904870521 /nfs/dbraw/zinc/87/05/21/904870521.db2.gz DNCURVFPXORQNN-IBGZPJMESA-N 1 0 420.391 4.198 20 5 HIBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000493052359 905004433 /nfs/dbraw/zinc/00/44/33/905004433.db2.gz LNGDLXWXEIEOJG-UHFFFAOYSA-N 1 0 411.502 4.170 20 5 HIBDRO CC1CC[NH+](CCCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000493081013 905014502 /nfs/dbraw/zinc/01/45/02/905014502.db2.gz PUVHAKAAEPRVGG-UHFFFAOYSA-N 1 0 411.502 4.026 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000493094777 905017089 /nfs/dbraw/zinc/01/70/89/905017089.db2.gz ARPSMKGAHXUNTC-UHFFFAOYSA-N 1 0 413.861 4.389 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000493108004 905021699 /nfs/dbraw/zinc/02/16/99/905021699.db2.gz UQBSWDDVXOWJBC-OALUTQOASA-N 1 0 402.539 4.262 20 5 HIBDRO COc1cc(C[NH2+]CCc2cc3ccccc3o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493767717 905216511 /nfs/dbraw/zinc/21/65/11/905216511.db2.gz UKJQFPTUEURGJI-UHFFFAOYSA-N 1 0 406.385 4.326 20 5 HIBDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493988744 905331614 /nfs/dbraw/zinc/33/16/14/905331614.db2.gz HPIGPZKSIZCTLD-HSZRJFAPSA-N 1 0 405.454 4.311 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2ccccc2)c1 ZINC000493991420 905333367 /nfs/dbraw/zinc/33/33/67/905333367.db2.gz UOWOIJOXQUXTIH-TZRRMPRUSA-N 1 0 409.530 4.042 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H](NCC2([NH+]3CCCCC3)CCOCC2)c2ccccc2)c1 ZINC000494026739 905368482 /nfs/dbraw/zinc/36/84/82/905368482.db2.gz DKIUYEPVMDNIML-QHCPKHFHSA-N 1 0 409.530 4.309 20 5 HIBDRO O=C(NCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000494052059 905392180 /nfs/dbraw/zinc/39/21/80/905392180.db2.gz ZWLGWEVQRMPCGD-JOCHJYFZSA-N 1 0 407.445 4.233 20 5 HIBDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531307 905814883 /nfs/dbraw/zinc/81/48/83/905814883.db2.gz ZKDKZZLXEDKPCB-KUHUBIRLSA-N 1 0 408.424 4.009 20 5 HIBDRO C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)nc2)C1 ZINC000494728066 905927415 /nfs/dbraw/zinc/92/74/15/905927415.db2.gz CJQFZZRZMPFYDU-VWNXMTODSA-N 1 0 417.513 4.332 20 5 HIBDRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000512563917 921239843 /nfs/dbraw/zinc/23/98/43/921239843.db2.gz HGAGQUZBHMTCID-UHFFFAOYSA-N 1 0 418.291 4.208 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)CSc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000512570922 921243121 /nfs/dbraw/zinc/24/31/21/921243121.db2.gz XDORDNOUNANDOU-MJGOQNOKSA-N 1 0 413.543 4.104 20 5 HIBDRO Cn1cc(C[NH+]2CCC3(CC2)OCCc2ccsc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497154126 906813243 /nfs/dbraw/zinc/81/32/43/906813243.db2.gz ZIYOJKNPXPOLJK-UHFFFAOYSA-N 1 0 424.526 4.121 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000512700266 921292147 /nfs/dbraw/zinc/29/21/47/921292147.db2.gz YLBNFPIEQUCGGU-FQEVSTJZSA-N 1 0 403.454 4.448 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000512795701 921312812 /nfs/dbraw/zinc/31/28/12/921312812.db2.gz YFRWIZHPCIMTQY-KRWDZBQOSA-N 1 0 422.451 4.337 20 5 HIBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1OCC[NH+]1CCCC1 ZINC000498122713 907636060 /nfs/dbraw/zinc/63/60/60/907636060.db2.gz LHLCHFKUGIWNKK-UHFFFAOYSA-N 1 0 420.469 4.178 20 5 HIBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000498528170 907998640 /nfs/dbraw/zinc/99/86/40/907998640.db2.gz TVZMYGKYOQUAQL-UHFFFAOYSA-N 1 0 422.529 4.155 20 5 HIBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000498643897 908083141 /nfs/dbraw/zinc/08/31/41/908083141.db2.gz DDJQSIPBVOUHOP-CYBMUJFWSA-N 1 0 407.923 4.469 20 5 HIBDRO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706352 908130625 /nfs/dbraw/zinc/13/06/25/908130625.db2.gz FYDMYFSQXNWOMZ-WIYYLYMNSA-N 1 0 422.529 4.179 20 5 HIBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512895946 921388277 /nfs/dbraw/zinc/38/82/77/921388277.db2.gz RXZLFNYTXJMCMM-PKOBYXMFSA-N 1 0 406.486 4.210 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000501008918 910230736 /nfs/dbraw/zinc/23/07/36/910230736.db2.gz VLVWSFUVFDRYHC-SFHVURJKSA-N 1 0 418.881 4.215 20 5 HIBDRO O=C(CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000501036037 910251528 /nfs/dbraw/zinc/25/15/28/910251528.db2.gz MLCMROYJYCJHJW-UHFFFAOYSA-N 1 0 422.460 4.202 20 5 HIBDRO COc1ccc(NC(=O)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000513219408 921635184 /nfs/dbraw/zinc/63/51/84/921635184.db2.gz RQUBETNBXLWGML-JOCHJYFZSA-N 1 0 405.454 4.116 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000502251421 911205428 /nfs/dbraw/zinc/20/54/28/911205428.db2.gz GYIFIHFPVXYVAE-UHFFFAOYSA-N 1 0 423.941 4.176 20 5 HIBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000502322792 911301579 /nfs/dbraw/zinc/30/15/79/911301579.db2.gz ABHQPORAZAYFTI-GOSISDBHSA-N 1 0 411.506 4.135 20 5 HIBDRO C[C@H]([NH2+]C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000503065291 912030356 /nfs/dbraw/zinc/03/03/56/912030356.db2.gz LGTVYAFWCRTIRC-SFHVURJKSA-N 1 0 410.518 4.100 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506294829 914889957 /nfs/dbraw/zinc/88/99/57/914889957.db2.gz LHRWXYSQLIRCEY-UKRRQHHQSA-N 1 0 420.416 4.153 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474781 915073612 /nfs/dbraw/zinc/07/36/12/915073612.db2.gz POWCYSJCGABJFL-OALUTQOASA-N 1 0 412.534 4.379 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000506552499 915197864 /nfs/dbraw/zinc/19/78/64/915197864.db2.gz JMYDGDFAEZXKRB-GOSISDBHSA-N 1 0 418.497 4.448 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000506667584 915342629 /nfs/dbraw/zinc/34/26/29/915342629.db2.gz CRDXNHPQUOOECA-MLGOLLRUSA-N 1 0 421.881 4.333 20 5 HIBDRO Cn1cc(C[N@H+](C)Cc2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506787240 915512379 /nfs/dbraw/zinc/51/23/79/915512379.db2.gz BMPOCUBTDBAKRC-UHFFFAOYSA-N 1 0 415.291 4.390 20 5 HIBDRO Cc1ccc(CNC(=O)C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000507131952 915882547 /nfs/dbraw/zinc/88/25/47/915882547.db2.gz NRAGDHYRVBBUAO-XQRVVYSFSA-N 1 0 411.477 4.084 20 5 HIBDRO CC(C)C(=O)NC1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000507186640 915934316 /nfs/dbraw/zinc/93/43/16/915934316.db2.gz GASBQBBMXPZRNH-UHFFFAOYSA-N 1 0 410.518 4.099 20 5 HIBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507266691 916028931 /nfs/dbraw/zinc/02/89/31/916028931.db2.gz KDQQTNOLQJYBFM-KKVAFCGZSA-N 1 0 417.893 4.190 20 5 HIBDRO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507282830 916048294 /nfs/dbraw/zinc/04/82/94/916048294.db2.gz XBOOZIRREPSVIA-UHFFFAOYSA-N 1 0 418.291 4.208 20 5 HIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507839835 916649205 /nfs/dbraw/zinc/64/92/05/916649205.db2.gz XHAUFZDLDYHFDA-UHFFFAOYSA-N 1 0 417.553 4.353 20 5 HIBDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)nc1 ZINC000507987060 916830110 /nfs/dbraw/zinc/83/01/10/916830110.db2.gz RXIRELLIPFESFS-UHFFFAOYSA-N 1 0 420.469 4.409 20 5 HIBDRO COc1cc(C[NH2+]CCN2CCC[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508099008 916915030 /nfs/dbraw/zinc/91/50/30/916915030.db2.gz CUOVJCKQPFHHPW-SFHVURJKSA-N 1 0 413.518 4.004 20 5 HIBDRO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000509346896 918011817 /nfs/dbraw/zinc/01/18/17/918011817.db2.gz YOYCBOLMTADRTR-SFHVURJKSA-N 1 0 407.474 4.434 20 5 HIBDRO Cn1cc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509571855 918221240 /nfs/dbraw/zinc/22/12/40/918221240.db2.gz NCFPNFXPEYDFEA-UHFFFAOYSA-N 1 0 416.485 4.251 20 5 HIBDRO CCN(CC)[C@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000509623701 918270740 /nfs/dbraw/zinc/27/07/40/918270740.db2.gz ZFILWZMZJXHJBP-GOSISDBHSA-N 1 0 407.898 4.135 20 5 HIBDRO Cc1c(Br)cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000509639428 918280670 /nfs/dbraw/zinc/28/06/70/918280670.db2.gz XSHJKOHQAOIJIK-UHFFFAOYSA-N 1 0 424.339 4.050 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000509763164 918377106 /nfs/dbraw/zinc/37/71/06/918377106.db2.gz QISNAHJCHUEFRH-GHTZIAJQSA-N 1 0 410.518 4.350 20 5 HIBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000509961935 918552097 /nfs/dbraw/zinc/55/20/97/918552097.db2.gz AILBEWFDJUMSDW-QGZVFWFLSA-N 1 0 406.442 4.251 20 5 HIBDRO CC[NH+](CC)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000510478146 918932033 /nfs/dbraw/zinc/93/20/33/918932033.db2.gz ZJKUIRMEOKITSW-SFHVURJKSA-N 1 0 409.408 4.313 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000510555943 918999826 /nfs/dbraw/zinc/99/98/26/918999826.db2.gz WPIQLRBXFMHGSP-YWZLYKJASA-N 1 0 401.482 4.128 20 5 HIBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510822374 919300037 /nfs/dbraw/zinc/30/00/37/919300037.db2.gz VCRSBDRXLBUBSY-OAHLLOKOSA-N 1 0 424.404 4.138 20 5 HIBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000510931430 919452137 /nfs/dbraw/zinc/45/21/37/919452137.db2.gz SDVPCRYLPXQJOH-YYWHXJBOSA-N 1 0 408.502 4.202 20 5 HIBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000510931425 919453360 /nfs/dbraw/zinc/45/33/60/919453360.db2.gz SDVPCRYLPXQJOH-JRGCBEDISA-N 1 0 408.502 4.202 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510976116 919525949 /nfs/dbraw/zinc/52/59/49/919525949.db2.gz FDWBOIDTNOUJJN-GCJKJVERSA-N 1 0 424.545 4.202 20 5 HIBDRO C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511104031 919710130 /nfs/dbraw/zinc/71/01/30/919710130.db2.gz FEXQUZQRLNTMIG-QHCPKHFHSA-N 1 0 423.538 4.427 20 5 HIBDRO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c([N+](=O)[O-])c1 ZINC000511136703 919752319 /nfs/dbraw/zinc/75/23/19/919752319.db2.gz KDHIVDWPWKAPRU-UHFFFAOYSA-N 1 0 407.392 4.125 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+]1CCCCC1 ZINC000511206649 919818288 /nfs/dbraw/zinc/81/82/88/919818288.db2.gz ORPDKDRUIUTRDY-FQEVSTJZSA-N 1 0 412.490 4.261 20 5 HIBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496259 920105684 /nfs/dbraw/zinc/10/56/84/920105684.db2.gz UGRDPPXTAOTBAF-RDJZCZTQSA-N 1 0 416.547 4.235 20 5 HIBDRO CC[N@@H+](Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C[C@@H]1CCCO1 ZINC000511539497 920162123 /nfs/dbraw/zinc/16/21/23/920162123.db2.gz FCMZVTBOPWMVGX-FQEVSTJZSA-N 1 0 400.475 4.183 20 5 HIBDRO CN(C(=O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000511556927 920192963 /nfs/dbraw/zinc/19/29/63/920192963.db2.gz RYRBHRNAIHNUHJ-IBGZPJMESA-N 1 0 423.391 4.197 20 5 HIBDRO O=[N+]([O-])c1ccc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c2ccncc21 ZINC000511695619 920360919 /nfs/dbraw/zinc/36/09/19/920360919.db2.gz OXTCZNOMRYOTJG-UHFFFAOYSA-N 1 0 403.486 4.419 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000511801103 920495736 /nfs/dbraw/zinc/49/57/36/920495736.db2.gz FQXVUEJZDAGNIO-FQEVSTJZSA-N 1 0 415.921 4.208 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512178784 920917377 /nfs/dbraw/zinc/91/73/77/920917377.db2.gz KIZPLCBUZXVFIF-RBUKOAKNSA-N 1 0 411.550 4.082 20 5 HIBDRO COc1ccc(OCC[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000512184919 920928637 /nfs/dbraw/zinc/92/86/37/920928637.db2.gz IUPSSSFTXCIPJR-INIZCTEOSA-N 1 0 415.273 4.002 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000512213410 920959964 /nfs/dbraw/zinc/95/99/64/920959964.db2.gz RGUYXUDUMLXJFW-XQFWAAQXSA-N 1 0 422.529 4.142 20 5 HIBDRO Cn1ccnc1[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513763281 922081755 /nfs/dbraw/zinc/08/17/55/922081755.db2.gz WRYXBKHLXHSPOJ-HSZRJFAPSA-N 1 0 419.529 4.193 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513857661 922184861 /nfs/dbraw/zinc/18/48/61/922184861.db2.gz OJYDTNURXHKPPF-UPZYVNNASA-N 1 0 421.497 4.130 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000514065905 922390829 /nfs/dbraw/zinc/39/08/29/922390829.db2.gz GTPZMUDDGPGJSZ-SFHVURJKSA-N 1 0 400.475 4.230 20 5 HIBDRO Cn1ccnc1[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000514081045 922404544 /nfs/dbraw/zinc/40/45/44/922404544.db2.gz AGPLCUDSFWSQNL-QHCPKHFHSA-N 1 0 419.529 4.193 20 5 HIBDRO Cn1ccnc1[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000514085712 922410423 /nfs/dbraw/zinc/41/04/23/922410423.db2.gz WSKLGLMSZKYKLC-QHCPKHFHSA-N 1 0 419.529 4.193 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000515336262 923058054 /nfs/dbraw/zinc/05/80/54/923058054.db2.gz ABFDEVVGHNJZPF-GDBMZVCRSA-N 1 0 407.308 4.168 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000515336263 923058401 /nfs/dbraw/zinc/05/84/01/923058401.db2.gz ABFDEVVGHNJZPF-GOEBONIOSA-N 1 0 407.308 4.168 20 5 HIBDRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000515509248 923142682 /nfs/dbraw/zinc/14/26/82/923142682.db2.gz STCFSQWXSVEPMV-ROUUACIJSA-N 1 0 410.518 4.387 20 5 HIBDRO C[N@H+](Cc1ccccc1CNC(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000516552147 923792511 /nfs/dbraw/zinc/79/25/11/923792511.db2.gz IBTYQPWYGGYXSF-UHFFFAOYSA-N 1 0 410.518 4.359 20 5 HIBDRO C[NH+](C)CCN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000517056972 923978887 /nfs/dbraw/zinc/97/88/87/923978887.db2.gz IAMCXELIZHCCRR-UHFFFAOYSA-N 1 0 424.476 4.485 20 5 HIBDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000517556421 924263451 /nfs/dbraw/zinc/26/34/51/924263451.db2.gz OAXSVQJNVULQBZ-KSFYIVLOSA-N 1 0 408.502 4.172 20 5 HIBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000518031237 926969156 /nfs/dbraw/zinc/96/91/56/926969156.db2.gz ARTKBDNMVIGBRM-QZTJIDSGSA-N 1 0 410.518 4.057 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1SC ZINC000518851950 927556482 /nfs/dbraw/zinc/55/64/82/927556482.db2.gz GYGYCGSBQVJQLY-CQSZACIVSA-N 1 0 417.531 4.185 20 5 HIBDRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c([N+](=O)[O-])cc1OC ZINC000520111087 928316374 /nfs/dbraw/zinc/31/63/74/928316374.db2.gz JXQQXZQQDPRVBS-UHFFFAOYSA-N 1 0 413.474 4.240 20 5 HIBDRO Cc1ccc([C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)N2CCCC2)cc1 ZINC000520203090 928386639 /nfs/dbraw/zinc/38/66/39/928386639.db2.gz GTPOXXBYLJLKED-LJQANCHMSA-N 1 0 405.445 4.431 20 5 HIBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000520660171 928706222 /nfs/dbraw/zinc/70/62/22/928706222.db2.gz IAPOZRDKGWPLKD-HNNXBMFYSA-N 1 0 405.882 4.246 20 5 HIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(OCc2cccnc2)cc1 ZINC000521421257 929213258 /nfs/dbraw/zinc/21/32/58/929213258.db2.gz RIHJQMHWDLHGGE-HNNXBMFYSA-N 1 0 403.442 4.296 20 5 HIBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(OCc2cccnc2)cc1 ZINC000521421258 929214265 /nfs/dbraw/zinc/21/42/65/929214265.db2.gz RIHJQMHWDLHGGE-OAHLLOKOSA-N 1 0 403.442 4.296 20 5 HIBDRO COc1ccc(C[NH+]2CCC(CNc3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1 ZINC000521721764 929389308 /nfs/dbraw/zinc/38/93/08/929389308.db2.gz QQZDCFLNKWRMOW-UHFFFAOYSA-N 1 0 406.486 4.476 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355018 930192948 /nfs/dbraw/zinc/19/29/48/930192948.db2.gz QVEMNGDTSCAZKF-CTNGQTDRSA-N 1 0 416.566 4.214 20 5 HIBDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000525405143 930222574 /nfs/dbraw/zinc/22/25/74/930222574.db2.gz XHIWTECYIGOLNE-UHFFFAOYSA-N 1 0 414.893 4.278 20 5 HIBDRO COc1ccc(CSCc2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000530632700 930780306 /nfs/dbraw/zinc/78/03/06/930780306.db2.gz CVQIQKRQSNRPCB-UHFFFAOYSA-N 1 0 414.487 4.148 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000530965442 930870333 /nfs/dbraw/zinc/87/03/33/930870333.db2.gz WMNLRGKECZMLTM-QWHCGFSZSA-N 1 0 411.380 4.480 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000531110169 930923353 /nfs/dbraw/zinc/92/33/53/930923353.db2.gz LEPLUHQRLKVQHS-LBPRGKRZSA-N 1 0 402.838 4.500 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531265116 930987400 /nfs/dbraw/zinc/98/74/00/930987400.db2.gz UJGILDUHVBCIMN-FQEVSTJZSA-N 1 0 401.894 4.134 20 5 HIBDRO O=C(NCCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000531445522 931059649 /nfs/dbraw/zinc/05/96/49/931059649.db2.gz MHGJCBGXKAAQSJ-UHFFFAOYSA-N 1 0 417.893 4.437 20 5 HIBDRO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531727963 931175078 /nfs/dbraw/zinc/17/50/78/931175078.db2.gz HRSSPAZJCMGATN-CQSZACIVSA-N 1 0 411.483 4.038 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531759712 931185921 /nfs/dbraw/zinc/18/59/21/931185921.db2.gz DOIVHKXJNOGIME-LJQANCHMSA-N 1 0 412.486 4.374 20 5 HIBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810990 931205190 /nfs/dbraw/zinc/20/51/90/931205190.db2.gz FNDZOVLMMRDKKV-KPZWWZAWSA-N 1 0 420.307 4.190 20 5 HIBDRO CCC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531951789 931260670 /nfs/dbraw/zinc/26/06/70/931260670.db2.gz CBGAJOLPADWVII-NRFANRHFSA-N 1 0 419.547 4.054 20 5 HIBDRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000532139506 931327156 /nfs/dbraw/zinc/32/71/56/931327156.db2.gz KFMYGXQOVNTKRJ-QGZVFWFLSA-N 1 0 406.486 4.352 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000532460181 931444914 /nfs/dbraw/zinc/44/49/14/931444914.db2.gz UBACBVMYXIRMPD-SJORKVTESA-N 1 0 419.547 4.346 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000532523669 931474143 /nfs/dbraw/zinc/47/41/43/931474143.db2.gz GEWDTHOJYPHYBJ-UHFFFAOYSA-N 1 0 424.270 4.265 20 5 HIBDRO CN(C)c1cccc([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000532577480 931536923 /nfs/dbraw/zinc/53/69/23/931536923.db2.gz JZPJZINUTZTEIC-SFHVURJKSA-N 1 0 402.882 4.090 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532615619 931555051 /nfs/dbraw/zinc/55/50/51/931555051.db2.gz FSLYURFLUGDKDL-KSFYIVLOSA-N 1 0 400.475 4.018 20 5 HIBDRO Cc1cc(C[C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000532627421 931560227 /nfs/dbraw/zinc/56/02/27/931560227.db2.gz PYMKNLLOHBLISL-INIZCTEOSA-N 1 0 416.485 4.200 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCc4c(cnn4-c4ccccc4)C3)o2)c1 ZINC000532639856 931563455 /nfs/dbraw/zinc/56/34/55/931563455.db2.gz JDQMFMQDAAWJCF-UHFFFAOYSA-N 1 0 415.453 4.036 20 5 HIBDRO COc1ccc(NC(=O)C[N@H+](C2CC2)C2CC(c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000532979442 931724787 /nfs/dbraw/zinc/72/47/87/931724787.db2.gz JNXKIVJWMAQTFO-UHFFFAOYSA-N 1 0 409.486 4.261 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c(F)c1 ZINC000533027438 931744468 /nfs/dbraw/zinc/74/44/68/931744468.db2.gz XBLPJVDEYREATH-UHFFFAOYSA-N 1 0 409.255 4.292 20 5 HIBDRO C[C@@H](C[NH2+]Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000533129092 931776214 /nfs/dbraw/zinc/77/62/14/931776214.db2.gz YRGSHGHFLLRBGD-HNNXBMFYSA-N 1 0 420.531 4.207 20 5 HIBDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533246359 931818054 /nfs/dbraw/zinc/81/80/54/931818054.db2.gz FEMVVHGOFVRELY-UHFFFAOYSA-N 1 0 406.486 4.227 20 5 HIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533369252 931850698 /nfs/dbraw/zinc/85/06/98/931850698.db2.gz GYXBNIXCTQYQQT-INIZCTEOSA-N 1 0 412.421 4.042 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(C/C=C\c4ccccc4)CC3)o2)c1 ZINC000533422178 931863335 /nfs/dbraw/zinc/86/33/35/931863335.db2.gz IQYKNQVLZVRRMW-YVMONPNESA-N 1 0 418.497 4.123 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000533427470 931865857 /nfs/dbraw/zinc/86/58/57/931865857.db2.gz SWHPWJFYPZKCGQ-BTYIYWSLSA-N 1 0 415.515 4.111 20 5 HIBDRO C[C@@H](NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000534257219 932368840 /nfs/dbraw/zinc/36/88/40/932368840.db2.gz PLIZUFBPDLGNSR-LJQANCHMSA-N 1 0 422.529 4.354 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000534290564 932376844 /nfs/dbraw/zinc/37/68/44/932376844.db2.gz MBHCMVPYHJIQEZ-FQEVSTJZSA-N 1 0 424.888 4.363 20 5 HIBDRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000534290565 932376991 /nfs/dbraw/zinc/37/69/91/932376991.db2.gz MBHCMVPYHJIQEZ-HXUWFJFHSA-N 1 0 424.888 4.363 20 5 HIBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C2)CC1 ZINC000534405885 932427698 /nfs/dbraw/zinc/42/76/98/932427698.db2.gz SRHNKLTXKHBMPK-LJQANCHMSA-N 1 0 408.502 4.142 20 5 HIBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535275440 933045480 /nfs/dbraw/zinc/04/54/80/933045480.db2.gz LVPPGDYTHBSVBV-FQEVSTJZSA-N 1 0 420.897 4.118 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000535373790 933099905 /nfs/dbraw/zinc/09/99/05/933099905.db2.gz YLMSZPTZVCTBMD-QGZVFWFLSA-N 1 0 420.513 4.309 20 5 HIBDRO C[C@@](O)(C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000535543508 933234039 /nfs/dbraw/zinc/23/40/39/933234039.db2.gz RRPZNFSTLIGDQX-MRXNPFEDSA-N 1 0 404.772 4.443 20 5 HIBDRO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562925877 945153581 /nfs/dbraw/zinc/15/35/81/945153581.db2.gz GMUKNOOSCLWBLU-LPHOPBHVSA-N 1 0 401.532 4.349 20 5 HIBDRO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000537631820 938341232 /nfs/dbraw/zinc/34/12/32/938341232.db2.gz YPESPRGFWWLKIV-UHFFFAOYSA-N 1 0 406.486 4.306 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000537644530 938344996 /nfs/dbraw/zinc/34/49/96/938344996.db2.gz MBXYNBHQVYZTKE-HXUWFJFHSA-N 1 0 411.502 4.096 20 5 HIBDRO Cn1cc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537658959 938348517 /nfs/dbraw/zinc/34/85/17/938348517.db2.gz HYDJKIKSKCNPGQ-QHCPKHFHSA-N 1 0 420.513 4.219 20 5 HIBDRO COc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537658767 938348647 /nfs/dbraw/zinc/34/86/47/938348647.db2.gz OZIMUAQTFOMPMK-NRFANRHFSA-N 1 0 402.491 4.021 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000537661229 938349172 /nfs/dbraw/zinc/34/91/72/938349172.db2.gz NKJRNOYAASQCHU-UHFFFAOYSA-N 1 0 418.497 4.450 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537775052 938374323 /nfs/dbraw/zinc/37/43/23/938374323.db2.gz YHYJEYSSVJJVML-UHFFFAOYSA-N 1 0 414.531 4.090 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000537955516 938432557 /nfs/dbraw/zinc/43/25/57/938432557.db2.gz ZKXGFNJIMXWUII-GFCCVEGCSA-N 1 0 418.906 4.407 20 5 HIBDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537978817 938445855 /nfs/dbraw/zinc/44/58/55/938445855.db2.gz HWMLSUWYTMGLHN-CYBMUJFWSA-N 1 0 406.280 4.345 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000538096872 938500982 /nfs/dbraw/zinc/50/09/82/938500982.db2.gz YEYQNBRMMHLYBX-PXNSSMCTSA-N 1 0 408.502 4.078 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000538224412 938564396 /nfs/dbraw/zinc/56/43/96/938564396.db2.gz AWBILSXNYFSOLM-FQEVSTJZSA-N 1 0 407.417 4.197 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] ZINC000538280885 938582425 /nfs/dbraw/zinc/58/24/25/938582425.db2.gz XKDJVTOZWGPFFB-ZDUSSCGKSA-N 1 0 419.865 4.007 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C3CCN(Cc4ccncc4)CC3)o2)c([N+](=O)[O-])c1 ZINC000538328187 938594156 /nfs/dbraw/zinc/59/41/56/938594156.db2.gz LNKGTXUZTNZSIE-UHFFFAOYSA-N 1 0 422.485 4.013 20 5 HIBDRO NC(=O)CCC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000538718934 938690182 /nfs/dbraw/zinc/69/01/82/938690182.db2.gz XSBDMDYRSPTNRD-UHFFFAOYSA-N 1 0 401.438 4.004 20 5 HIBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538726471 938693260 /nfs/dbraw/zinc/69/32/60/938693260.db2.gz UDJOTCIMDSLKQF-VGSWGCGISA-N 1 0 406.486 4.183 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539091573 938801346 /nfs/dbraw/zinc/80/13/46/938801346.db2.gz WWXXSVNFGOMWET-YVHKJVDXSA-N 1 0 411.502 4.085 20 5 HIBDRO CC[N@H+](CCC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000539097783 938802457 /nfs/dbraw/zinc/80/24/57/938802457.db2.gz YZXBJHXSHUHULZ-GOSISDBHSA-N 1 0 404.555 4.002 20 5 HIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)cc1 ZINC000539243407 938824511 /nfs/dbraw/zinc/82/45/11/938824511.db2.gz MAJINMRHCJFGEX-INIZCTEOSA-N 1 0 422.279 4.045 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539255346 938827634 /nfs/dbraw/zinc/82/76/34/938827634.db2.gz JQMSNRWPMLOZBV-SWLSCSKDSA-N 1 0 423.416 4.273 20 5 HIBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000539256849 938828062 /nfs/dbraw/zinc/82/80/62/938828062.db2.gz IYSFHUNBZVQQNE-HNNXBMFYSA-N 1 0 413.474 4.214 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539277928 938832256 /nfs/dbraw/zinc/83/22/56/938832256.db2.gz XAMMZMSATURFJZ-MLGOLLRUSA-N 1 0 419.865 4.087 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539310848 938838937 /nfs/dbraw/zinc/83/89/37/938838937.db2.gz PFMADDMUGSWNLR-HXUWFJFHSA-N 1 0 409.873 4.421 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000539333492 938843287 /nfs/dbraw/zinc/84/32/87/938843287.db2.gz CVLPVLKZZZOZGT-HZPDHXFCSA-N 1 0 420.469 4.343 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000539346769 938846192 /nfs/dbraw/zinc/84/61/92/938846192.db2.gz ZOIHSWICDVFVND-LBPRGKRZSA-N 1 0 411.380 4.302 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000539378418 938851541 /nfs/dbraw/zinc/85/15/41/938851541.db2.gz CKXBOPXXYOTPPG-AWEZNQCLSA-N 1 0 402.882 4.138 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)o2)c1 ZINC000539825945 938947645 /nfs/dbraw/zinc/94/76/45/938947645.db2.gz YWQYJKDDFRNAEW-OAQYLSRUSA-N 1 0 400.475 4.405 20 5 HIBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000540138787 939087497 /nfs/dbraw/zinc/08/74/97/939087497.db2.gz GSSFTYYQPLFMBK-IWMITWMQSA-N 1 0 403.910 4.279 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOc3ccc(I)cc32)cc1 ZINC000540191534 939115431 /nfs/dbraw/zinc/11/54/31/939115431.db2.gz UJZGKNVWZPVAEG-INIZCTEOSA-N 1 0 424.238 4.203 20 5 HIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000540191680 939117711 /nfs/dbraw/zinc/11/77/11/939117711.db2.gz QBYKFKGSAZPKGS-JZXOWHBKSA-N 1 0 411.502 4.003 20 5 HIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000540350786 939202366 /nfs/dbraw/zinc/20/23/66/939202366.db2.gz DAPKXOSUTXUPPP-WMLDXEAASA-N 1 0 401.463 4.070 20 5 HIBDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000540352687 939204551 /nfs/dbraw/zinc/20/45/51/939204551.db2.gz VOJCYDJDKPQOGD-CYBMUJFWSA-N 1 0 421.881 4.335 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540363127 939211371 /nfs/dbraw/zinc/21/13/71/939211371.db2.gz IRQBGPUAKRHSRU-CABCVRRESA-N 1 0 401.463 4.068 20 5 HIBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1)C[C@@H]1CCCCO1 ZINC000540419559 939241988 /nfs/dbraw/zinc/24/19/88/939241988.db2.gz IVWNETOOSYUKLR-FQEVSTJZSA-N 1 0 412.490 4.022 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000540424889 939244576 /nfs/dbraw/zinc/24/45/76/939244576.db2.gz HOFPANNZPNRCJD-AWEZNQCLSA-N 1 0 401.438 4.202 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000540520478 939285335 /nfs/dbraw/zinc/28/53/35/939285335.db2.gz QQZCJAUOJRIGFZ-CBLJQSSYSA-N 1 0 403.866 4.182 20 5 HIBDRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)cn1 ZINC000540609988 939318701 /nfs/dbraw/zinc/31/87/01/939318701.db2.gz FWIHZZPSAHJTKK-CQSZACIVSA-N 1 0 415.881 4.000 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000540624473 939322816 /nfs/dbraw/zinc/32/28/16/939322816.db2.gz HAICEEMWFWCBMB-GOSISDBHSA-N 1 0 411.502 4.014 20 5 HIBDRO CCOc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000540749432 939358039 /nfs/dbraw/zinc/35/80/39/939358039.db2.gz HOHBXGVCUHVICB-QGZVFWFLSA-N 1 0 413.518 4.371 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)nc1-c1ccccc1 ZINC000541005350 939429628 /nfs/dbraw/zinc/42/96/28/939429628.db2.gz QIJRYSMMKYUEKF-OAQYLSRUSA-N 1 0 418.497 4.226 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000541084929 939454337 /nfs/dbraw/zinc/45/43/37/939454337.db2.gz FFPRHQXWXCEOLK-UHFFFAOYSA-N 1 0 410.946 4.021 20 5 HIBDRO COc1ccc(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541103979 939461441 /nfs/dbraw/zinc/46/14/41/939461441.db2.gz VJCRPNRQCDVGMD-WMZOPIPTSA-N 1 0 412.490 4.026 20 5 HIBDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000541323034 939490883 /nfs/dbraw/zinc/49/08/83/939490883.db2.gz AIRZIIORGHPCNW-ZNOIYHFQSA-N 1 0 408.907 4.009 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541397079 939504853 /nfs/dbraw/zinc/50/48/53/939504853.db2.gz RQCGCQQXRRIYCP-UHFFFAOYSA-N 1 0 421.950 4.497 20 5 HIBDRO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541584877 939560794 /nfs/dbraw/zinc/56/07/94/939560794.db2.gz AQYYVYXKVUKUHH-DNVCBOLYSA-N 1 0 419.522 4.488 20 5 HIBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541597444 939563476 /nfs/dbraw/zinc/56/34/76/939563476.db2.gz DHZLWONNUQWEIM-FXAWDEMLSA-N 1 0 417.575 4.433 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541702955 939609550 /nfs/dbraw/zinc/60/95/50/939609550.db2.gz AVFHHORHIWQVCF-RXVVDRJESA-N 1 0 415.465 4.223 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)CC(C)C ZINC000541708708 939610990 /nfs/dbraw/zinc/61/09/90/939610990.db2.gz UGTVUJVVEOOXKM-QGZVFWFLSA-N 1 0 407.530 4.444 20 5 HIBDRO O=C(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Br)cc1 ZINC000541762370 939623552 /nfs/dbraw/zinc/62/35/52/939623552.db2.gz YBRWAIPYCKTHPD-UHFFFAOYSA-N 1 0 412.671 4.129 20 5 HIBDRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000542137256 939726999 /nfs/dbraw/zinc/72/69/99/939726999.db2.gz CACKIQXCLYVAKZ-UHFFFAOYSA-N 1 0 415.921 4.465 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000542591296 939847011 /nfs/dbraw/zinc/84/70/11/939847011.db2.gz SXXBLAYZNODRHY-AWEZNQCLSA-N 1 0 422.510 4.267 20 5 HIBDRO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542613327 939848558 /nfs/dbraw/zinc/84/85/58/939848558.db2.gz SVGQJGPUHYSRGX-IAGOWNOFSA-N 1 0 413.493 4.386 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1C(F)(F)F ZINC000542865077 939864101 /nfs/dbraw/zinc/86/41/01/939864101.db2.gz YKEXNYFXCXPBKJ-QGZVFWFLSA-N 1 0 409.408 4.182 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000542918027 939877374 /nfs/dbraw/zinc/87/73/74/939877374.db2.gz VBPVRRQOIXUOPO-WMZOPIPTSA-N 1 0 406.523 4.277 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000542918026 939877511 /nfs/dbraw/zinc/87/75/11/939877511.db2.gz VBPVRRQOIXUOPO-SJLPKXTDSA-N 1 0 406.523 4.277 20 5 HIBDRO COc1ccccc1C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000543497821 940085659 /nfs/dbraw/zinc/08/56/59/940085659.db2.gz XVMZBVBXOBMVQH-SFHVURJKSA-N 1 0 405.882 4.052 20 5 HIBDRO C[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543524506 940095766 /nfs/dbraw/zinc/09/57/66/940095766.db2.gz VBEBSLROUMJEDE-QGZVFWFLSA-N 1 0 413.493 4.208 20 5 HIBDRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543537568 940097998 /nfs/dbraw/zinc/09/79/98/940097998.db2.gz AZGAEARMLFAUGM-SJORKVTESA-N 1 0 413.493 4.386 20 5 HIBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560278 940108739 /nfs/dbraw/zinc/10/87/39/940108739.db2.gz ZRBRHENBKUAAMQ-PKOBYXMFSA-N 1 0 412.421 4.136 20 5 HIBDRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000543892547 940230093 /nfs/dbraw/zinc/23/00/93/940230093.db2.gz UGQNGZIQGAVBDN-UHFFFAOYSA-N 1 0 418.881 4.043 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000543993057 940287348 /nfs/dbraw/zinc/28/73/48/940287348.db2.gz SRJZJLCURKPUEP-JKSUJKDBSA-N 1 0 424.501 4.320 20 5 HIBDRO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000544348817 940396999 /nfs/dbraw/zinc/39/69/99/940396999.db2.gz QCGIZDRUFUKWLP-UHFFFAOYSA-N 1 0 410.518 4.242 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000563853595 945314935 /nfs/dbraw/zinc/31/49/35/945314935.db2.gz BBAGJJAGJYUISO-GOEBONIOSA-N 1 0 407.308 4.168 20 5 HIBDRO Cc1c(Br)c(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000544396288 940411349 /nfs/dbraw/zinc/41/13/49/940411349.db2.gz YEKURWYSNHIXGA-HIFRSBDPSA-N 1 0 411.344 4.152 20 5 HIBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nc(C(F)(F)F)cs1 ZINC000544460442 940440531 /nfs/dbraw/zinc/44/05/31/940440531.db2.gz KZYIPVOHOQQIFS-LBPRGKRZSA-N 1 0 416.425 4.448 20 5 HIBDRO COc1cc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626252 940493426 /nfs/dbraw/zinc/49/34/26/940493426.db2.gz OEWGPVLEWLFTKT-PKOBYXMFSA-N 1 0 404.438 4.103 20 5 HIBDRO COC(=O)c1cc(-c2nc(-c3ccccc3C[NH+]3CCCCC3)no2)cc([N+](=O)[O-])c1 ZINC000545698178 940581356 /nfs/dbraw/zinc/58/13/56/940581356.db2.gz CCHBPCUGUGVSPS-UHFFFAOYSA-N 1 0 422.441 4.084 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000546166493 940720122 /nfs/dbraw/zinc/72/01/22/940720122.db2.gz KUIAPYLSNDYLJP-YRVVQQKDSA-N 1 0 405.882 4.331 20 5 HIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000546180956 940722647 /nfs/dbraw/zinc/72/26/47/940722647.db2.gz MRZCSMQVMSPVTK-DTWKUNHWSA-N 1 0 401.307 4.261 20 5 HIBDRO O=c1cc(-c2nc(-c3ccccc3C[NH+]3CCCC3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000546944191 940921881 /nfs/dbraw/zinc/92/18/81/940921881.db2.gz NLVSJVIQURHMMT-UHFFFAOYSA-N 1 0 417.425 4.161 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000546976974 940934285 /nfs/dbraw/zinc/93/42/85/940934285.db2.gz LQBOJCHCIWQMRS-UHFFFAOYSA-N 1 0 405.564 4.433 20 5 HIBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549171870 941168121 /nfs/dbraw/zinc/16/81/21/941168121.db2.gz NUPQFLHBMQZDAJ-INIZCTEOSA-N 1 0 409.408 4.101 20 5 HIBDRO CN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000549687620 941204575 /nfs/dbraw/zinc/20/45/75/941204575.db2.gz MBUIJCFRSJCHPM-ZWKOTPCHSA-N 1 0 415.362 4.427 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)s1 ZINC000549827592 941208734 /nfs/dbraw/zinc/20/87/34/941208734.db2.gz CJWVPULEKRHXAA-UHFFFAOYSA-N 1 0 409.511 4.450 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549942197 941243814 /nfs/dbraw/zinc/24/38/14/941243814.db2.gz RAWVJFVSSBICFB-ZFWWWQNUSA-N 1 0 407.392 4.179 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(Cc4ccc(F)cc4)CCOCC3)co2)cc1 ZINC000550188880 941296127 /nfs/dbraw/zinc/29/61/27/941296127.db2.gz GFXVHFYOTPOPPQ-UHFFFAOYSA-N 1 0 411.433 4.270 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1ccnc1 ZINC000550253451 941304104 /nfs/dbraw/zinc/30/41/04/941304104.db2.gz MPXIAVOLCKQSER-UHFFFAOYSA-N 1 0 401.220 4.104 20 5 HIBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000551039944 941399344 /nfs/dbraw/zinc/39/93/44/941399344.db2.gz QIRVPZYWGODMCQ-UXLLHSPISA-N 1 0 414.449 4.110 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H]3CCC(=O)N[C@H]3C3CC3)cc2[N+](=O)[O-])cc1 ZINC000551620550 941514118 /nfs/dbraw/zinc/51/41/18/941514118.db2.gz XXWBEZYEAQUCNQ-AVRDEDQJSA-N 1 0 411.527 4.201 20 5 HIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000552058126 941575478 /nfs/dbraw/zinc/57/54/78/941575478.db2.gz WOHKCALJMFRVID-ZAAXVRCTSA-N 1 0 417.893 4.128 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552913586 941802083 /nfs/dbraw/zinc/80/20/83/941802083.db2.gz NRWOXKWNYYNZQN-CHWSQXEVSA-N 1 0 411.380 4.214 20 5 HIBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000553991134 942014720 /nfs/dbraw/zinc/01/47/20/942014720.db2.gz MRVRKSCYQXWCJP-SFHVURJKSA-N 1 0 401.463 4.024 20 5 HIBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)C1 ZINC000554142193 942047999 /nfs/dbraw/zinc/04/79/99/942047999.db2.gz JBXIUFHTDZARJO-OAQYLSRUSA-N 1 0 403.548 4.045 20 5 HIBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)C1 ZINC000554142192 942048451 /nfs/dbraw/zinc/04/84/51/942048451.db2.gz JBXIUFHTDZARJO-NRFANRHFSA-N 1 0 403.548 4.045 20 5 HIBDRO Cc1c(Cc2noc([C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)n2)cccc1[N+](=O)[O-] ZINC000554814637 942256426 /nfs/dbraw/zinc/25/64/26/942256426.db2.gz BQBROPFPVALTTN-HYBUGGRVSA-N 1 0 418.497 4.431 20 5 HIBDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554978886 942341455 /nfs/dbraw/zinc/34/14/55/942341455.db2.gz PCGDBRMKRZJWMJ-VIFPVBQESA-N 1 0 416.181 4.410 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000555010571 942355339 /nfs/dbraw/zinc/35/53/39/942355339.db2.gz BGBKCACODBZHSI-FQEVSTJZSA-N 1 0 412.490 4.124 20 5 HIBDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000555127455 942394137 /nfs/dbraw/zinc/39/41/37/942394137.db2.gz CZFRFIBPMIJHQM-PZJWPPBQSA-N 1 0 401.894 4.324 20 5 HIBDRO CCc1nc2cc(C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)ccc2n1C1CC1 ZINC000555226391 942437008 /nfs/dbraw/zinc/43/70/08/942437008.db2.gz QZJOPRJUUUMWSV-PKOBYXMFSA-N 1 0 408.506 4.312 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000555697436 942704777 /nfs/dbraw/zinc/70/47/77/942704777.db2.gz MXYWIJHVLXKXMZ-UHFFFAOYSA-N 1 0 408.857 4.277 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556608686 942913866 /nfs/dbraw/zinc/91/38/66/942913866.db2.gz MYUWSSCGSIACBP-FPOVZHCZSA-N 1 0 412.486 4.326 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000557279354 943065901 /nfs/dbraw/zinc/06/59/01/943065901.db2.gz FKJKUUAEFGUNKP-CQSZACIVSA-N 1 0 420.307 4.045 20 5 HIBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000557632149 943240056 /nfs/dbraw/zinc/24/00/56/943240056.db2.gz XLPRXHFZMFSAJO-NRFANRHFSA-N 1 0 409.515 4.092 20 5 HIBDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000558086368 943376557 /nfs/dbraw/zinc/37/65/57/943376557.db2.gz SKALTRIKSBQYTE-FDDCHVKYSA-N 1 0 403.482 4.173 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H](CCO)c3ccc(Cl)cc3)o2)c1 ZINC000558142275 943394964 /nfs/dbraw/zinc/39/49/64/943394964.db2.gz BVUZAFIKOTZICF-SFHVURJKSA-N 1 0 401.850 4.159 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000558466146 943566415 /nfs/dbraw/zinc/56/64/15/943566415.db2.gz KPEZZXDBUPSDCS-LBPRGKRZSA-N 1 0 424.270 4.484 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558736216 943635122 /nfs/dbraw/zinc/63/51/22/943635122.db2.gz OQIUZLQXWXHJID-OQIJWPOYSA-N 1 0 409.486 4.341 20 5 HIBDRO CCc1nc2cc(C[NH2+][C@@H](C)CC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1C1CC1 ZINC000558968908 943775420 /nfs/dbraw/zinc/77/54/20/943775420.db2.gz VUPQYSXLZZZJBP-HNNXBMFYSA-N 1 0 421.501 4.349 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000559552702 944002482 /nfs/dbraw/zinc/00/24/82/944002482.db2.gz YDLMFWMEUJXFRX-NFAWXSAZSA-N 1 0 424.339 4.143 20 5 HIBDRO CSc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000560482160 944236803 /nfs/dbraw/zinc/23/68/03/944236803.db2.gz KQGWXTXECRKOLN-HNNXBMFYSA-N 1 0 419.572 4.281 20 5 HIBDRO O=[N+]([O-])c1cc(CN2CCC(O[C@H]3CCOC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000560567014 944256062 /nfs/dbraw/zinc/25/60/62/944256062.db2.gz PAHBZAJCBQRFJY-FQEVSTJZSA-N 1 0 416.449 4.296 20 5 HIBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000560677426 944291455 /nfs/dbraw/zinc/29/14/55/944291455.db2.gz XGUZLFLMAKXQHO-UHFFFAOYSA-N 1 0 418.497 4.204 20 5 HIBDRO Cc1nn(C)c(NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000561345094 944557680 /nfs/dbraw/zinc/55/76/80/944557680.db2.gz KKDPTPPREAUVFF-CQSZACIVSA-N 1 0 419.835 4.328 20 5 HIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(Br)cc1F ZINC000561782786 944794809 /nfs/dbraw/zinc/79/48/09/944794809.db2.gz QVFHUZKYFWRHBU-SNVBAGLBSA-N 1 0 407.243 4.266 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000562046614 944909166 /nfs/dbraw/zinc/90/91/66/944909166.db2.gz IWUIFGKMIWBOOS-UHFFFAOYSA-N 1 0 415.465 4.026 20 5 HIBDRO Cc1cc(C(C)(C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000562057874 944916631 /nfs/dbraw/zinc/91/66/31/944916631.db2.gz GQJJXJAQLQKRPR-UHFFFAOYSA-N 1 0 420.307 4.153 20 5 HIBDRO C[C@@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 ZINC000562116992 944949957 /nfs/dbraw/zinc/94/99/57/944949957.db2.gz MUMAOZMXKPVCQE-LJQANCHMSA-N 1 0 407.514 4.213 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000564390392 945549672 /nfs/dbraw/zinc/54/96/72/945549672.db2.gz QAXMOAVKJVEBLS-INIZCTEOSA-N 1 0 424.339 4.132 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1[N+](=O)[O-] ZINC000564416137 945569866 /nfs/dbraw/zinc/56/98/66/945569866.db2.gz YXURAKIFNZBFSW-UHFFFAOYSA-N 1 0 422.363 4.048 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000564616099 945707466 /nfs/dbraw/zinc/70/74/66/945707466.db2.gz ORJGJAQOCBMMPM-UHFFFAOYSA-N 1 0 411.506 4.323 20 5 HIBDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000567549536 946373164 /nfs/dbraw/zinc/37/31/64/946373164.db2.gz ZWXFJYXDJYWYQS-OAQYLSRUSA-N 1 0 405.454 4.116 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H](CO)c2cccnc2)cc1 ZINC000568678292 946649473 /nfs/dbraw/zinc/64/94/73/946649473.db2.gz VGTTWBGKCSWQSA-QGZVFWFLSA-N 1 0 413.861 4.301 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000569603912 946895617 /nfs/dbraw/zinc/89/56/17/946895617.db2.gz URKYTUWLHHCFOM-IBGZPJMESA-N 1 0 424.545 4.353 20 5 HIBDRO COCC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000570112413 947097112 /nfs/dbraw/zinc/09/71/12/947097112.db2.gz MVSGAHAKZQZSLG-OAHLLOKOSA-N 1 0 412.273 4.208 20 5 HIBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000570135516 947113200 /nfs/dbraw/zinc/11/32/00/947113200.db2.gz RXRVRIJXNBEOQM-QGZVFWFLSA-N 1 0 400.454 4.158 20 5 HIBDRO CCC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000570994491 947416810 /nfs/dbraw/zinc/41/68/10/947416810.db2.gz OKQACGXFTXZGSS-NVXWUHKLSA-N 1 0 401.429 4.359 20 5 HIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]1n1cccn1 ZINC000571422003 947638327 /nfs/dbraw/zinc/63/83/27/947638327.db2.gz NJGBHZCAQFEYHQ-MISYRCLQSA-N 1 0 416.865 4.213 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)s1 ZINC000571715510 947758712 /nfs/dbraw/zinc/75/87/12/947758712.db2.gz NDOJWOYRIQNPQB-SFHVURJKSA-N 1 0 415.559 4.484 20 5 HIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)c1 ZINC000571889936 947807249 /nfs/dbraw/zinc/80/72/49/947807249.db2.gz MRFKYSFZPDLCNG-UHFFFAOYSA-N 1 0 423.282 4.378 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000572656985 947970950 /nfs/dbraw/zinc/97/09/50/947970950.db2.gz PJADTIVXCPDCPI-ZDUSSCGKSA-N 1 0 414.462 4.364 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OCC(F)F ZINC000572878232 948027584 /nfs/dbraw/zinc/02/75/84/948027584.db2.gz VHGCJFPDKZVSBT-CYBMUJFWSA-N 1 0 410.417 4.415 20 5 HIBDRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000573633066 948259130 /nfs/dbraw/zinc/25/91/30/948259130.db2.gz XXFWSMPUKFPWHF-AAIMPIBUSA-N 1 0 419.529 4.060 20 5 HIBDRO CC(=O)NCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCSCC1 ZINC000574342198 948417386 /nfs/dbraw/zinc/41/73/86/948417386.db2.gz LVJXHTORTQKPEV-UHFFFAOYSA-N 1 0 419.572 4.157 20 5 HIBDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000575636628 948685397 /nfs/dbraw/zinc/68/53/97/948685397.db2.gz LXBFDJWENJUUAE-OAHLLOKOSA-N 1 0 423.435 4.308 20 5 HIBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000575776972 948702917 /nfs/dbraw/zinc/70/29/17/948702917.db2.gz HUYCAVUMLGUESQ-UHFFFAOYSA-N 1 0 411.449 4.067 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164619228 719056304 /nfs/dbraw/zinc/05/63/04/719056304.db2.gz CBNROVCGSUFVBK-YJBOKZPZSA-N 1 0 422.863 4.289 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629158 719068491 /nfs/dbraw/zinc/06/84/91/719068491.db2.gz WDDAILJYIXZUMD-RHSMWYFYSA-N 1 0 407.301 4.397 20 5 HIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618522 719074728 /nfs/dbraw/zinc/07/47/28/719074728.db2.gz AZJJVKYEHZFTDL-ZBFHGGJFSA-N 1 0 407.301 4.397 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC3)cs1 ZINC001164693067 719807370 /nfs/dbraw/zinc/80/73/70/719807370.db2.gz POSZOWUNUPJBFS-UHFFFAOYSA-N 1 0 407.927 4.043 20 5 HIBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164706934 719905779 /nfs/dbraw/zinc/90/57/79/719905779.db2.gz LVARFYRRBTVDDX-UHFFFAOYSA-N 1 0 424.526 4.076 20 5 HIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165020545 721808503 /nfs/dbraw/zinc/80/85/03/721808503.db2.gz FYIRSWNVTBQURU-WDYCEAGBSA-N 1 0 415.925 4.084 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]21 ZINC001165027446 721809769 /nfs/dbraw/zinc/80/97/69/721809769.db2.gz UTEAEBVKYFBFAA-BULFRSBZSA-N 1 0 417.513 4.275 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001165030215 721830863 /nfs/dbraw/zinc/83/08/63/721830863.db2.gz YZQBACKQIMHRJJ-YFXJRYMSSA-N 1 0 417.513 4.275 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951794 722015452 /nfs/dbraw/zinc/01/54/52/722015452.db2.gz DUHPIUNPONNUPR-UHFFFAOYSA-N 1 0 422.316 4.184 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436010239 861301218 /nfs/dbraw/zinc/30/12/18/861301218.db2.gz ZHJLFHKVOPVDPV-IAGOWNOFSA-N 1 0 423.532 4.308 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 ZINC000436108937 861395452 /nfs/dbraw/zinc/39/54/52/861395452.db2.gz UNWAFYOALSFYSS-FQEVSTJZSA-N 1 0 409.505 4.061 20 5 HIBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)CC1 ZINC000436251599 861563135 /nfs/dbraw/zinc/56/31/35/861563135.db2.gz FNPRKLBNJMUAHO-IBGZPJMESA-N 1 0 417.553 4.265 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000008169796 845483162 /nfs/dbraw/zinc/48/31/62/845483162.db2.gz ZCNGRRBDLFMWFL-GOSISDBHSA-N 1 0 410.518 4.201 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000015692106 846083685 /nfs/dbraw/zinc/08/36/85/846083685.db2.gz QLOIZKATYGECCL-GOSISDBHSA-N 1 0 419.572 4.338 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019538761 846367631 /nfs/dbraw/zinc/36/76/31/846367631.db2.gz NGGGSJVFJPWAHG-NRFANRHFSA-N 1 0 405.454 4.116 20 5 HIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000023139324 846663782 /nfs/dbraw/zinc/66/37/82/846663782.db2.gz FWQFRZAHPFRPIO-UHFFFAOYSA-N 1 0 423.300 4.296 20 5 HIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000023139454 846664204 /nfs/dbraw/zinc/66/42/04/846664204.db2.gz XJXYCAYBJJSYKI-UHFFFAOYSA-N 1 0 423.300 4.296 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000025419569 846975303 /nfs/dbraw/zinc/97/53/03/846975303.db2.gz RPQSJSYOGIJUMO-QHCPKHFHSA-N 1 0 418.497 4.240 20 5 HIBDRO Cc1ccc(S(=O)(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000029384659 847556398 /nfs/dbraw/zinc/55/63/98/847556398.db2.gz NWOIOESSLVUXEF-UHFFFAOYSA-N 1 0 417.531 4.469 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)c1 ZINC000029833146 847628479 /nfs/dbraw/zinc/62/84/79/847628479.db2.gz HBCYKWZMAIVVMG-OAHLLOKOSA-N 1 0 405.414 4.166 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000030509835 847724493 /nfs/dbraw/zinc/72/44/93/847724493.db2.gz ATOKTWQHGDPDBW-NEPJUHHUSA-N 1 0 422.279 4.044 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000043301776 848406460 /nfs/dbraw/zinc/40/64/60/848406460.db2.gz OBYAFZWCLFJKCS-LSDHHAIUSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000043343031 848412853 /nfs/dbraw/zinc/41/28/53/848412853.db2.gz DISTXVPXTQXZEL-GOSISDBHSA-N 1 0 418.881 4.215 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000045777898 848726458 /nfs/dbraw/zinc/72/64/58/848726458.db2.gz RJJGHOHTZASWGA-UHFFFAOYSA-N 1 0 410.518 4.168 20 5 HIBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133252 849435349 /nfs/dbraw/zinc/43/53/49/849435349.db2.gz RAZLPFVZWWUCQH-IIBYNOLFSA-N 1 0 417.893 4.286 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713724 849617401 /nfs/dbraw/zinc/61/74/01/849617401.db2.gz BALWDQPUVBBXPJ-KRWDZBQOSA-N 1 0 413.522 4.294 20 5 HIBDRO COc1ccc(C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C2CC2)cc1 ZINC000052867098 849635705 /nfs/dbraw/zinc/63/57/05/849635705.db2.gz SKUNCUVWKTYMOM-OAHLLOKOSA-N 1 0 408.458 4.454 20 5 HIBDRO Cc1c(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cccc1[N+](=O)[O-] ZINC000053039012 849657368 /nfs/dbraw/zinc/65/73/68/849657368.db2.gz YLNWPELZYIZWMN-UHFFFAOYSA-N 1 0 403.866 4.113 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000055751993 850135137 /nfs/dbraw/zinc/13/51/37/850135137.db2.gz XERSZUMZWLFTCW-IBGZPJMESA-N 1 0 417.893 4.214 20 5 HIBDRO CCCOc1c(Br)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000058093456 850764989 /nfs/dbraw/zinc/76/49/89/850764989.db2.gz FMYBOCLWNRZHPA-UHFFFAOYSA-N 1 0 423.307 4.487 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000058295710 850794760 /nfs/dbraw/zinc/79/47/60/850794760.db2.gz FGQFWWATSYEJDW-LJQANCHMSA-N 1 0 424.545 4.478 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000058952299 850966816 /nfs/dbraw/zinc/96/68/16/850966816.db2.gz TYGZNCQQZQLKHK-KRWDZBQOSA-N 1 0 413.543 4.235 20 5 HIBDRO COc1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000059410579 851005943 /nfs/dbraw/zinc/00/59/43/851005943.db2.gz UQZLZWYBQLDWFK-CALCHBBNSA-N 1 0 411.502 4.011 20 5 HIBDRO C[N@H+](Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000059888497 851021796 /nfs/dbraw/zinc/02/17/96/851021796.db2.gz GKJNZKYNHNOURV-UHFFFAOYSA-N 1 0 411.502 4.055 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000060414214 851091717 /nfs/dbraw/zinc/09/17/17/851091717.db2.gz QMMBAJQLPGGKPY-QGZVFWFLSA-N 1 0 411.502 4.155 20 5 HIBDRO O=[N+]([O-])c1cc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000063142886 851620147 /nfs/dbraw/zinc/62/01/47/851620147.db2.gz DRGWPIJMGLOMAN-UHFFFAOYSA-N 1 0 404.923 4.199 20 5 HIBDRO CC(C)NC(=O)c1ccc(NCC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000063255604 851642075 /nfs/dbraw/zinc/64/20/75/851642075.db2.gz FPIUYFCENKZTHG-UHFFFAOYSA-N 1 0 410.518 4.057 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000437092911 862284715 /nfs/dbraw/zinc/28/47/15/862284715.db2.gz MRLHRFLPDKYFSS-XPYUAMARSA-N 1 0 400.441 4.379 20 5 HIBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000437119419 862306739 /nfs/dbraw/zinc/30/67/39/862306739.db2.gz YSJKPXNRXJXBQE-OAHLLOKOSA-N 1 0 417.893 4.454 20 5 HIBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000437119418 862307658 /nfs/dbraw/zinc/30/76/58/862307658.db2.gz YSJKPXNRXJXBQE-HNNXBMFYSA-N 1 0 417.893 4.454 20 5 HIBDRO C[N@H+](CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000065096929 852062695 /nfs/dbraw/zinc/06/26/95/852062695.db2.gz MCODKSKKQTWVBY-UHFFFAOYSA-N 1 0 402.520 4.103 20 5 HIBDRO O=C(c1cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000065202014 852085866 /nfs/dbraw/zinc/08/58/66/852085866.db2.gz DNUJUQDYBVBAQA-FQEVSTJZSA-N 1 0 422.529 4.155 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000069250303 852388354 /nfs/dbraw/zinc/38/83/54/852388354.db2.gz NWSFRAMZUPXYNG-JOCHJYFZSA-N 1 0 410.518 4.008 20 5 HIBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437179623 862373359 /nfs/dbraw/zinc/37/33/59/862373359.db2.gz HNABVCYZMGMWGB-UHFFFAOYSA-N 1 0 410.824 4.376 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000109499243 852978256 /nfs/dbraw/zinc/97/82/56/852978256.db2.gz LORHVOQEXLHZOX-UHFFFAOYSA-N 1 0 405.907 4.092 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000109528619 852980658 /nfs/dbraw/zinc/98/06/58/852980658.db2.gz VYZXHINYZPXOMQ-UHFFFAOYSA-N 1 0 405.907 4.092 20 5 HIBDRO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000109531736 852980960 /nfs/dbraw/zinc/98/09/60/852980960.db2.gz YDYXMPGMYZNZGA-SFHVURJKSA-N 1 0 411.355 4.127 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[NH+]2CCCC2)o1 ZINC000437225492 862421476 /nfs/dbraw/zinc/42/14/76/862421476.db2.gz COINZFBYTZVZCN-MRXNPFEDSA-N 1 0 411.380 4.082 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000111051754 853194631 /nfs/dbraw/zinc/19/46/31/853194631.db2.gz INSSFOAMBYWRFR-JOCHJYFZSA-N 1 0 410.518 4.045 20 5 HIBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000116205084 853292067 /nfs/dbraw/zinc/29/20/67/853292067.db2.gz VPIFGFHKPIQWKX-UHFFFAOYSA-N 1 0 403.504 4.094 20 5 HIBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1SC ZINC000116205096 853292606 /nfs/dbraw/zinc/29/26/06/853292606.db2.gz IZJBBAWGACULEV-UHFFFAOYSA-N 1 0 403.504 4.094 20 5 HIBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000147708583 853593115 /nfs/dbraw/zinc/59/31/15/853593115.db2.gz KQPFTYQIWCPDCP-CYBMUJFWSA-N 1 0 408.911 4.343 20 5 HIBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000150248851 853641627 /nfs/dbraw/zinc/64/16/27/853641627.db2.gz XKNRGRAPBKVMHI-FQEVSTJZSA-N 1 0 413.474 4.086 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1csc(Br)c1 ZINC000166083130 853653646 /nfs/dbraw/zinc/65/36/46/853653646.db2.gz ZYCHRUCQZBANNN-UHFFFAOYSA-N 1 0 412.309 4.188 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+](C4CC4)CC3)o2)c(Br)c1 ZINC000236569139 853899473 /nfs/dbraw/zinc/89/94/73/853899473.db2.gz FTTKNUSMMFYXLW-UHFFFAOYSA-N 1 0 420.307 4.334 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)cs1 ZINC000236679378 853910470 /nfs/dbraw/zinc/91/04/70/853910470.db2.gz VDPOOUZMELRILW-UHFFFAOYSA-N 1 0 411.321 4.257 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236714849 853915523 /nfs/dbraw/zinc/91/55/23/853915523.db2.gz QQHDIULTICDYMW-WMHVBEDNSA-N 1 0 416.319 4.487 20 5 HIBDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000236750663 853919541 /nfs/dbraw/zinc/91/95/41/853919541.db2.gz JNGHAHRTUSKCLX-QGZVFWFLSA-N 1 0 423.517 4.494 20 5 HIBDRO CCCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236860516 853930081 /nfs/dbraw/zinc/93/00/81/853930081.db2.gz ACKHEWBYUYSDSJ-JOCHJYFZSA-N 1 0 410.518 4.482 20 5 HIBDRO CC[C@@H](C(=O)N1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000236958078 853942490 /nfs/dbraw/zinc/94/24/90/853942490.db2.gz DOJWADVBHLJYCL-QWDXWUACSA-N 1 0 407.514 4.382 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CCCC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237020967 853952242 /nfs/dbraw/zinc/95/22/42/853952242.db2.gz HCMNBSCEDPBQFG-FQEVSTJZSA-N 1 0 416.522 4.246 20 5 HIBDRO CN(C)[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1c(F)cccc1F ZINC000237039163 853955403 /nfs/dbraw/zinc/95/54/03/853955403.db2.gz NOKRXEJGJHVOLT-GOSISDBHSA-N 1 0 418.469 4.389 20 5 HIBDRO COc1ccc(C[NH2+][C@H](CO)c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237176698 853976482 /nfs/dbraw/zinc/97/64/82/853976482.db2.gz OFLPZGBHHOULPW-OAQYLSRUSA-N 1 0 408.454 4.006 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000237185477 853977280 /nfs/dbraw/zinc/97/72/80/853977280.db2.gz ZTPJDFAJTUWWTF-CYBMUJFWSA-N 1 0 408.296 4.049 20 5 HIBDRO COCCC[NH+]1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000237207742 853982456 /nfs/dbraw/zinc/98/24/56/853982456.db2.gz RCMLLXDSDXCLTH-UHFFFAOYSA-N 1 0 407.898 4.099 20 5 HIBDRO COc1cc(C[NH2+]CCc2nc(C3CCCCC3)cs2)c([N+](=O)[O-])cc1OC ZINC000237416576 854027584 /nfs/dbraw/zinc/02/75/84/854027584.db2.gz CWXGGSKLDUEXRR-UHFFFAOYSA-N 1 0 405.520 4.449 20 5 HIBDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000237433793 854032768 /nfs/dbraw/zinc/03/27/68/854032768.db2.gz QDYLFQHUJRXUJR-WBMJQRKESA-N 1 0 413.902 4.000 20 5 HIBDRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000237469819 854038989 /nfs/dbraw/zinc/03/89/89/854038989.db2.gz GMEKOGUOUZFDNL-MRXNPFEDSA-N 1 0 402.458 4.032 20 5 HIBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000237562056 854055278 /nfs/dbraw/zinc/05/52/78/854055278.db2.gz FJYGJWLVSUPZNZ-CQSZACIVSA-N 1 0 400.866 4.206 20 5 HIBDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237763874 854091552 /nfs/dbraw/zinc/09/15/52/854091552.db2.gz CKOUXAXXDJBHBN-UHFFFAOYSA-N 1 0 417.849 4.319 20 5 HIBDRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000237937367 854121657 /nfs/dbraw/zinc/12/16/57/854121657.db2.gz RPCZYUJWFQAGMK-HOCLYGCPSA-N 1 0 403.866 4.174 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccccc2OCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237934841 854121690 /nfs/dbraw/zinc/12/16/90/854121690.db2.gz TYBBQNRPQSZISE-UHFFFAOYSA-N 1 0 420.391 4.226 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)COc3ccc(F)cc3)o2)c(Cl)c1 ZINC000237965253 854126774 /nfs/dbraw/zinc/12/67/74/854126774.db2.gz QTXUDKKANIUCJK-OAHLLOKOSA-N 1 0 420.824 4.177 20 5 HIBDRO O=C(CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1Cc2ccccc2C1 ZINC000237995942 854129642 /nfs/dbraw/zinc/12/96/42/854129642.db2.gz KHOMHYZRFIMRJE-UHFFFAOYSA-N 1 0 405.454 4.267 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3csc(N4CCCC4)n3)cs2)c1 ZINC000238006834 854132817 /nfs/dbraw/zinc/13/28/17/854132817.db2.gz SVNLUDUFAGAQKE-UHFFFAOYSA-N 1 0 415.544 4.107 20 5 HIBDRO CN1CCC([NH+]2CCC(Nc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000301115864 854301232 /nfs/dbraw/zinc/30/12/32/854301232.db2.gz OLCCLXAUMREOOQ-UHFFFAOYSA-N 1 0 420.863 4.238 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)cc2)C1 ZINC000301336398 854363907 /nfs/dbraw/zinc/36/39/07/854363907.db2.gz CZRPPZHQMISZFD-QGZVFWFLSA-N 1 0 424.501 4.395 20 5 HIBDRO O=C(c1cc(NC2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301454443 854398902 /nfs/dbraw/zinc/39/89/02/854398902.db2.gz BJJJEXLVDOLOLT-UHFFFAOYSA-N 1 0 400.523 4.040 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)[C@@H]1c1cccs1 ZINC000301523904 854412264 /nfs/dbraw/zinc/41/22/64/854412264.db2.gz IDFKZTQHGGECDA-IAQYHMDHSA-N 1 0 411.325 4.309 20 5 HIBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000301547990 854418127 /nfs/dbraw/zinc/41/81/27/854418127.db2.gz PTCYFLGNHCPGGI-SJLPKXTDSA-N 1 0 410.474 4.016 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000301603454 854428287 /nfs/dbraw/zinc/42/82/87/854428287.db2.gz XDPGXEJTCLLUHV-CXAGYDPISA-N 1 0 405.296 4.075 20 5 HIBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301790960 854465484 /nfs/dbraw/zinc/46/54/84/854465484.db2.gz NWWCKAPVNXGRFZ-CYBMUJFWSA-N 1 0 405.296 4.390 20 5 HIBDRO Cc1cc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301932196 854496912 /nfs/dbraw/zinc/49/69/12/854496912.db2.gz PDKITYFPAZLLQY-UHFFFAOYSA-N 1 0 418.501 4.108 20 5 HIBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc21 ZINC000437324120 862590230 /nfs/dbraw/zinc/59/02/30/862590230.db2.gz OCWIUHZDUMSGCN-UHFFFAOYSA-N 1 0 420.391 4.382 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000303754849 855175491 /nfs/dbraw/zinc/17/54/91/855175491.db2.gz MUBXLQSGHMTQAL-RDJZCZTQSA-N 1 0 401.894 4.373 20 5 HIBDRO Cc1c(Br)c(NC2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000310586609 855366569 /nfs/dbraw/zinc/36/65/69/855366569.db2.gz ADVIPVZCMZKVHO-UHFFFAOYSA-N 1 0 405.296 4.137 20 5 HIBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311045076 855368869 /nfs/dbraw/zinc/36/88/69/855368869.db2.gz FSKSSNVCJRDVCD-UKRRQHHQSA-N 1 0 405.296 4.075 20 5 HIBDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000409867667 855695795 /nfs/dbraw/zinc/69/57/95/855695795.db2.gz BAXZKAKXBYWWKA-HNNXBMFYSA-N 1 0 401.463 4.070 20 5 HIBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000428716247 857308324 /nfs/dbraw/zinc/30/83/24/857308324.db2.gz IIHKGNLEFPOSAF-UTKZUKDTSA-N 1 0 411.527 4.302 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429287944 857591670 /nfs/dbraw/zinc/59/16/70/857591670.db2.gz ADEXGCQFVOUXHD-UHFFFAOYSA-N 1 0 418.497 4.372 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000429422411 857657735 /nfs/dbraw/zinc/65/77/35/857657735.db2.gz ZENNVPUDWCIJHT-GOEBONIOSA-N 1 0 407.308 4.168 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000429422722 857658634 /nfs/dbraw/zinc/65/86/34/857658634.db2.gz ZZKCFKCWAZHMNE-GOEBONIOSA-N 1 0 407.308 4.168 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000429459138 857682966 /nfs/dbraw/zinc/68/29/66/857682966.db2.gz XMTQIYLHQOBSFJ-WBVHZDCISA-N 1 0 421.335 4.119 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430639458 858244873 /nfs/dbraw/zinc/24/48/73/858244873.db2.gz FRJCNZPGDUDHGK-JENIJYKNSA-N 1 0 413.543 4.245 20 5 HIBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000430864289 858342983 /nfs/dbraw/zinc/34/29/83/858342983.db2.gz JYDFNOPJSXXPRE-OXQOHEQNSA-N 1 0 411.527 4.302 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 ZINC000430993634 858396740 /nfs/dbraw/zinc/39/67/40/858396740.db2.gz YWGKYOUZKZJSRB-UHFFFAOYSA-N 1 0 403.236 4.136 20 5 HIBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000431930592 858875606 /nfs/dbraw/zinc/87/56/06/858875606.db2.gz HXMNSEDJSNADEH-HNNXBMFYSA-N 1 0 424.339 4.086 20 5 HIBDRO CC[C@H]1C[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CCCO1 ZINC000467566465 881389575 /nfs/dbraw/zinc/38/95/75/881389575.db2.gz WZYADEDRTOPERE-FQEVSTJZSA-N 1 0 400.475 4.183 20 5 HIBDRO CC1(C)C[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433145170 859539342 /nfs/dbraw/zinc/53/93/42/859539342.db2.gz PIYIBRZOFOTPNF-QFIPXVFZSA-N 1 0 422.529 4.010 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@@]3(O)CCO[C@H]3C)cc2[N+](=O)[O-])c1 ZINC000433188232 859559320 /nfs/dbraw/zinc/55/93/20/859559320.db2.gz BQGOKGJDFDLTQX-SBUREZEXSA-N 1 0 414.502 4.448 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000433236133 859583114 /nfs/dbraw/zinc/58/31/14/859583114.db2.gz XGNSFPMEVVIPLG-UHFFFAOYSA-N 1 0 413.543 4.368 20 5 HIBDRO CC1(C)C[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433241993 859586627 /nfs/dbraw/zinc/58/66/27/859586627.db2.gz FPTUUKCSEXFFJV-QFIPXVFZSA-N 1 0 407.514 4.459 20 5 HIBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000434325569 860287302 /nfs/dbraw/zinc/28/73/02/860287302.db2.gz JDUIJYPTAJLMLB-HXUWFJFHSA-N 1 0 419.485 4.107 20 5 HIBDRO Cn1nc(CCC[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1-c1ccc(F)cc1 ZINC000434833070 860512550 /nfs/dbraw/zinc/51/25/50/860512550.db2.gz UVLKJACXBUUVRG-UHFFFAOYSA-N 1 0 423.448 4.340 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000434855929 860524426 /nfs/dbraw/zinc/52/44/26/860524426.db2.gz POUQUOCMWULLIV-AWEZNQCLSA-N 1 0 423.404 4.305 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)nc2c1 ZINC000435028447 860605815 /nfs/dbraw/zinc/60/58/15/860605815.db2.gz UYOBPPSLGRZGKH-HSZRJFAPSA-N 1 0 406.486 4.224 20 5 HIBDRO COc1cc(C[N@@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435041680 860612324 /nfs/dbraw/zinc/61/23/24/860612324.db2.gz RBOANAGLACFGTO-UHFFFAOYSA-N 1 0 408.442 4.262 20 5 HIBDRO CCc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435381617 860777665 /nfs/dbraw/zinc/77/76/65/860777665.db2.gz VBNDCPVFEXKJJU-FQEVSTJZSA-N 1 0 419.485 4.053 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435835363 861098190 /nfs/dbraw/zinc/09/81/90/861098190.db2.gz MTGVBHUDUFZCBL-UHFFFAOYSA-N 1 0 411.505 4.207 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437999005 863361073 /nfs/dbraw/zinc/36/10/73/863361073.db2.gz NSKMAJRXMMMBOC-GCJKJVERSA-N 1 0 422.529 4.179 20 5 HIBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000438050745 863416843 /nfs/dbraw/zinc/41/68/43/863416843.db2.gz UAYQVDKKGDRSQB-UHFFFAOYSA-N 1 0 422.407 4.372 20 5 HIBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000438528064 863953128 /nfs/dbraw/zinc/95/31/28/863953128.db2.gz LKGYWCGXIYMZBT-HSZRJFAPSA-N 1 0 421.522 4.310 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4OCCC[C@H]34)o2)c(Br)c1 ZINC000438902171 864382809 /nfs/dbraw/zinc/38/28/09/864382809.db2.gz DXSZJUHBCWTVFU-QGPMSJSTSA-N 1 0 407.264 4.274 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000438947068 864419699 /nfs/dbraw/zinc/41/96/99/864419699.db2.gz ADDQZQRZHRNQAM-HZPDHXFCSA-N 1 0 415.921 4.443 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000467937943 881809813 /nfs/dbraw/zinc/80/98/13/881809813.db2.gz KICJEOFDEWZROL-UHFFFAOYSA-N 1 0 414.428 4.138 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000439629548 864954286 /nfs/dbraw/zinc/95/42/86/864954286.db2.gz AINXZHULPVOINC-CIQXWFTPSA-N 1 0 423.513 4.376 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000439906485 865216127 /nfs/dbraw/zinc/21/61/27/865216127.db2.gz YPEIRARKUSUGIR-QGZVFWFLSA-N 1 0 412.490 4.122 20 5 HIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441071050 866160270 /nfs/dbraw/zinc/16/02/70/866160270.db2.gz PXZLWYJMMKSYNN-LBPRGKRZSA-N 1 0 401.410 4.329 20 5 HIBDRO C[C@@H](OC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441256880 866331037 /nfs/dbraw/zinc/33/10/37/866331037.db2.gz ANMSANZZOVISGC-FOIQADDNSA-N 1 0 404.894 4.351 20 5 HIBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441266095 866340556 /nfs/dbraw/zinc/34/05/56/866340556.db2.gz UKIPWWWNEVZQQX-SGTLLEGYSA-N 1 0 407.392 4.296 20 5 HIBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370207 866438810 /nfs/dbraw/zinc/43/88/10/866438810.db2.gz HDJVBJQTZKDIAN-NQIIRXRSSA-N 1 0 421.501 4.075 20 5 HIBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370206 866439227 /nfs/dbraw/zinc/43/92/27/866439227.db2.gz HDJVBJQTZKDIAN-GHTZIAJQSA-N 1 0 421.501 4.075 20 5 HIBDRO Cc1ccccc1-c1ccc(C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)s1 ZINC000441532194 866607632 /nfs/dbraw/zinc/60/76/32/866607632.db2.gz GICCPXDSOYXTJM-GOSISDBHSA-N 1 0 414.531 4.100 20 5 HIBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000442635700 867579357 /nfs/dbraw/zinc/57/93/57/867579357.db2.gz QIVOGUFZGCFETG-AEFFLSMTSA-N 1 0 411.527 4.302 20 5 HIBDRO C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000443221774 867880517 /nfs/dbraw/zinc/88/05/17/867880517.db2.gz HHIQKJISSGUATO-TUAOUCFPSA-N 1 0 409.284 4.265 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443658051 868259622 /nfs/dbraw/zinc/25/96/22/868259622.db2.gz NDXBIYNLWHLAIH-MRXNPFEDSA-N 1 0 403.866 4.039 20 5 HIBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000443797425 868336282 /nfs/dbraw/zinc/33/62/82/868336282.db2.gz DAFXOPFNXIOZHB-UHFFFAOYSA-N 1 0 422.407 4.008 20 5 HIBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443958173 868493935 /nfs/dbraw/zinc/49/39/35/868493935.db2.gz CEWXEKZHFIKIKR-UHFFFAOYSA-N 1 0 423.941 4.132 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)Cc3cc(F)c(F)c(F)c3)o2)cc1 ZINC000444002111 868522627 /nfs/dbraw/zinc/52/26/27/868522627.db2.gz JBSRXAAVAIZYRR-CQSZACIVSA-N 1 0 420.387 4.213 20 5 HIBDRO CC(C)[NH+](CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(C)C ZINC000444115519 868626229 /nfs/dbraw/zinc/62/62/29/868626229.db2.gz ZRJVDZGOGVFBMC-UHFFFAOYSA-N 1 0 415.484 4.198 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)CC1 ZINC000444239880 868689331 /nfs/dbraw/zinc/68/93/31/868689331.db2.gz MOUQAWPTTPFZAV-UHFFFAOYSA-N 1 0 417.553 4.454 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000444659572 868937902 /nfs/dbraw/zinc/93/79/02/868937902.db2.gz DCRCIBGZXCQZAG-CYBMUJFWSA-N 1 0 417.416 4.327 20 5 HIBDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000444785428 869004990 /nfs/dbraw/zinc/00/49/90/869004990.db2.gz QORFKPLNAOAOTM-INIZCTEOSA-N 1 0 423.391 4.485 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(CO)(Cc4ccccc4)CC3)o2)c1 ZINC000444794838 869011810 /nfs/dbraw/zinc/01/18/10/869011810.db2.gz WLFOGAWRAHUBNQ-UHFFFAOYSA-N 1 0 421.497 4.110 20 5 HIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445894944 869876551 /nfs/dbraw/zinc/87/65/51/869876551.db2.gz RQFDIIBNNJUNEB-ZDUSSCGKSA-N 1 0 416.425 4.223 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000446002336 869966096 /nfs/dbraw/zinc/96/60/96/869966096.db2.gz MDYBTIKSTZHWKR-HFTRVMKXSA-N 1 0 424.419 4.279 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000446048345 870010057 /nfs/dbraw/zinc/01/00/57/870010057.db2.gz TXLUAMBNBNDEOM-UHFFFAOYSA-N 1 0 401.894 4.199 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000446487794 870400530 /nfs/dbraw/zinc/40/05/30/870400530.db2.gz FUKJVFFPWITKEX-SIKLNZKXSA-N 1 0 408.502 4.422 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000446838043 870756388 /nfs/dbraw/zinc/75/63/88/870756388.db2.gz DLCRRKAUACYAIC-LJQANCHMSA-N 1 0 405.502 4.476 20 5 HIBDRO COCC[C@@]1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOC1 ZINC000447094701 870990546 /nfs/dbraw/zinc/99/05/46/870990546.db2.gz UXNMXZIKEIAEGQ-HXUWFJFHSA-N 1 0 406.866 4.326 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1OC(F)F ZINC000447525650 871390172 /nfs/dbraw/zinc/39/01/72/871390172.db2.gz APGQVVRSQSRJNK-LSDHHAIUSA-N 1 0 410.421 4.065 20 5 HIBDRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447530073 871394965 /nfs/dbraw/zinc/39/49/65/871394965.db2.gz NDSLVARWRYMRRC-YWZLYKJASA-N 1 0 400.475 4.357 20 5 HIBDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447545480 871417210 /nfs/dbraw/zinc/41/72/10/871417210.db2.gz XCYVBFSDBOXYEW-ROUUACIJSA-N 1 0 400.479 4.020 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC000447550819 871426650 /nfs/dbraw/zinc/42/66/50/871426650.db2.gz OGTUFVDJPQYJNO-IRXDYDNUSA-N 1 0 412.412 4.144 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)n1 ZINC000447564364 871459076 /nfs/dbraw/zinc/45/90/76/871459076.db2.gz WTSMMOYUIBMYJL-RTBURBONSA-N 1 0 411.437 4.391 20 5 HIBDRO COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447585506 871493594 /nfs/dbraw/zinc/49/35/94/871493594.db2.gz JKVPKFJWJIYBKH-IKGGRYGDSA-N 1 0 404.536 4.302 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCCCNc1ccccn1 ZINC000447674765 871605527 /nfs/dbraw/zinc/60/55/27/871605527.db2.gz GQSCKGQKDFVXLE-UHFFFAOYSA-N 1 0 405.327 4.343 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447721801 871666233 /nfs/dbraw/zinc/66/62/33/871666233.db2.gz HDSJZMJYNPZXEF-UGSOOPFHSA-N 1 0 401.488 4.099 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000447797849 871734949 /nfs/dbraw/zinc/73/49/49/871734949.db2.gz OIOUPSIZPVGDTM-FZKQIMNGSA-N 1 0 405.907 4.271 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000447797850 871735132 /nfs/dbraw/zinc/73/51/32/871735132.db2.gz OIOUPSIZPVGDTM-SCLBCKFNSA-N 1 0 405.907 4.271 20 5 HIBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)nc2)C1 ZINC000448184600 872061086 /nfs/dbraw/zinc/06/10/86/872061086.db2.gz GTZMNOKMJANQAW-IBGZPJMESA-N 1 0 411.509 4.176 20 5 HIBDRO [NH3+]CCC[C@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccccc1 ZINC000448549777 872556918 /nfs/dbraw/zinc/55/69/18/872556918.db2.gz HTODBTRJVQQVBV-INIZCTEOSA-N 1 0 415.291 4.220 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460345161 872963297 /nfs/dbraw/zinc/96/32/97/872963297.db2.gz FQXDCJXZGABLGB-ROUUACIJSA-N 1 0 420.513 4.496 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000460494827 873179699 /nfs/dbraw/zinc/17/96/99/873179699.db2.gz ZCCRDVHKFRKQIC-BWAGFHJFSA-N 1 0 422.529 4.128 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000460494829 873179931 /nfs/dbraw/zinc/17/99/31/873179931.db2.gz ZCCRDVHKFRKQIC-VLCRHTCISA-N 1 0 422.529 4.128 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000468653258 882788983 /nfs/dbraw/zinc/78/89/83/882788983.db2.gz OHNBSIQYWSLUJJ-NTUHNPAUSA-N 1 0 401.264 4.198 20 5 HIBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461433610 874482620 /nfs/dbraw/zinc/48/26/20/874482620.db2.gz WUXUEEVLAGTEAK-RTWAWAEBSA-N 1 0 407.514 4.312 20 5 HIBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000461470550 874525903 /nfs/dbraw/zinc/52/59/03/874525903.db2.gz HFYOVUNPQVYHSX-QGZVFWFLSA-N 1 0 401.894 4.280 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462614410 875726104 /nfs/dbraw/zinc/72/61/04/875726104.db2.gz MCCJQOCRAMPOKF-BWAGFHJFSA-N 1 0 409.530 4.190 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462614412 875726766 /nfs/dbraw/zinc/72/67/66/875726766.db2.gz MCCJQOCRAMPOKF-STZQEDGTSA-N 1 0 409.530 4.190 20 5 HIBDRO COc1cc(Br)c(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000462766644 875827528 /nfs/dbraw/zinc/82/75/28/875827528.db2.gz VOQSJFSMWOWEPY-UHFFFAOYSA-N 1 0 423.307 4.487 20 5 HIBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000462859173 875892914 /nfs/dbraw/zinc/89/29/14/875892914.db2.gz CJPBAHQWWQZNNP-YLJYHZDGSA-N 1 0 410.518 4.322 20 5 HIBDRO COc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462873889 875904288 /nfs/dbraw/zinc/90/42/88/875904288.db2.gz JZEIMFBDBFLBTM-FQEVSTJZSA-N 1 0 400.475 4.182 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1cccs1 ZINC000462882207 875910614 /nfs/dbraw/zinc/91/06/14/875910614.db2.gz SDQYKTBISBQXSO-VBKZILBWSA-N 1 0 400.504 4.036 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C[NH+]4CCCCC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000462914576 875939794 /nfs/dbraw/zinc/93/97/94/875939794.db2.gz RKPAPYUYXOOZFS-IBGZPJMESA-N 1 0 422.529 4.468 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463431760 876487822 /nfs/dbraw/zinc/48/78/22/876487822.db2.gz UHZDIFXALOQPEJ-UHFFFAOYSA-N 1 0 409.408 4.385 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000463593516 876703966 /nfs/dbraw/zinc/70/39/66/876703966.db2.gz TZJIGAVXMGAZAP-INIZCTEOSA-N 1 0 411.380 4.082 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000463593517 876704800 /nfs/dbraw/zinc/70/48/00/876704800.db2.gz TZJIGAVXMGAZAP-MRXNPFEDSA-N 1 0 411.380 4.082 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732518 877969685 /nfs/dbraw/zinc/96/96/85/877969685.db2.gz HKSVKILURLTFTM-HOCLYGCPSA-N 1 0 401.429 4.169 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464768059 878009375 /nfs/dbraw/zinc/00/93/75/878009375.db2.gz HKKGHNGCCUDAPX-MRXNPFEDSA-N 1 0 415.515 4.046 20 5 HIBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464768713 878009899 /nfs/dbraw/zinc/00/98/99/878009899.db2.gz YXJVXPFRCKYHDN-MRXNPFEDSA-N 1 0 415.515 4.046 20 5 HIBDRO C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000464839725 878104316 /nfs/dbraw/zinc/10/43/16/878104316.db2.gz RFJWLQPLBUHWHP-LJQANCHMSA-N 1 0 420.513 4.389 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000466403400 880169301 /nfs/dbraw/zinc/16/93/01/880169301.db2.gz GMZZEAABYROUDZ-AWEZNQCLSA-N 1 0 403.866 4.141 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000503495399 912543552 /nfs/dbraw/zinc/54/35/52/912543552.db2.gz PIBGUJHRYZREON-GOSISDBHSA-N 1 0 417.893 4.081 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1cccs1 ZINC000467220900 880950396 /nfs/dbraw/zinc/95/03/96/880950396.db2.gz YCJSZDNGHZBOGL-KDOFPFPSSA-N 1 0 422.938 4.192 20 5 HIBDRO Cc1sc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000469474104 883701889 /nfs/dbraw/zinc/70/18/89/883701889.db2.gz IKMAHGVCWJFMJU-CQSZACIVSA-N 1 0 401.410 4.016 20 5 HIBDRO Cc1sc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000469474103 883702033 /nfs/dbraw/zinc/70/20/33/883702033.db2.gz IKMAHGVCWJFMJU-AWEZNQCLSA-N 1 0 401.410 4.016 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000469494142 883736135 /nfs/dbraw/zinc/73/61/35/883736135.db2.gz PAALRCVLDSDZCZ-INIZCTEOSA-N 1 0 415.799 4.300 20 5 HIBDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469757566 883921824 /nfs/dbraw/zinc/92/18/24/883921824.db2.gz SCRSJFSHCHQXLB-GFCCVEGCSA-N 1 0 422.279 4.045 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470601607 885027890 /nfs/dbraw/zinc/02/78/90/885027890.db2.gz PWALXVWNQLDSAR-GOSISDBHSA-N 1 0 420.391 4.128 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000470879025 885369446 /nfs/dbraw/zinc/36/94/46/885369446.db2.gz FMEXTVNVRIJTBF-UHFFFAOYSA-N 1 0 415.515 4.103 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000471058332 885572774 /nfs/dbraw/zinc/57/27/74/885572774.db2.gz YYGZPASKCZAZDX-PKOBYXMFSA-N 1 0 411.502 4.024 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000471162673 885716891 /nfs/dbraw/zinc/71/68/91/885716891.db2.gz XVWXEJYVXIYRQE-UHFFFAOYSA-N 1 0 411.502 4.155 20 5 HIBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000471222537 885796682 /nfs/dbraw/zinc/79/66/82/885796682.db2.gz ICIWLWUOPDXFKN-UHFFFAOYSA-N 1 0 416.909 4.279 20 5 HIBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000471241676 885818775 /nfs/dbraw/zinc/81/87/75/885818775.db2.gz GLVRFKFOEGWZQK-UHFFFAOYSA-N 1 0 416.909 4.279 20 5 HIBDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC[N@@H+]2C2CC2)c1 ZINC000471952395 886759035 /nfs/dbraw/zinc/75/90/35/886759035.db2.gz GQWACNSYRZZEGU-TZIWHRDSSA-N 1 0 410.474 4.011 20 5 HIBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC[N@@H+]2C2CC2)c1 ZINC000471952394 886760540 /nfs/dbraw/zinc/76/05/40/886760540.db2.gz GQWACNSYRZZEGU-PZJWPPBQSA-N 1 0 410.474 4.011 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)cccc1[N+](=O)[O-] ZINC000472636520 887500847 /nfs/dbraw/zinc/50/08/47/887500847.db2.gz PSGZMMDRHAIPFM-HSZRJFAPSA-N 1 0 409.486 4.202 20 5 HIBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473690364 888464147 /nfs/dbraw/zinc/46/41/47/888464147.db2.gz ORZFXKZCRLHUMU-QFBILLFUSA-N 1 0 412.490 4.293 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000474003906 888862886 /nfs/dbraw/zinc/86/28/86/888862886.db2.gz ZPSBQFMWNLZGIK-MBSDFSHPSA-N 1 0 412.486 4.196 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccccc2C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474353989 889232663 /nfs/dbraw/zinc/23/26/63/889232663.db2.gz OBPXKTLDIPMQIK-NRFANRHFSA-N 1 0 400.475 4.332 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000474373463 889250916 /nfs/dbraw/zinc/25/09/16/889250916.db2.gz QLLFUEYNGCPZGH-FQEVSTJZSA-N 1 0 406.866 4.287 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCCn3cc(Br)cn3)o2)c1 ZINC000475205416 890074264 /nfs/dbraw/zinc/07/42/64/890074264.db2.gz JHDMDHMOMYVWSK-UHFFFAOYSA-N 1 0 419.279 4.384 20 5 HIBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000475469080 890377263 /nfs/dbraw/zinc/37/72/63/890377263.db2.gz PONNZZQEUMVWBP-LJQANCHMSA-N 1 0 411.502 4.120 20 5 HIBDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC[N@@H+]2C2CC2)c1 ZINC000475564632 890493870 /nfs/dbraw/zinc/49/38/70/890493870.db2.gz NBIWFSYPHQVXEJ-UGKGYDQZSA-N 1 0 424.501 4.320 20 5 HIBDRO COc1ccc(C[N@H+](CCc2ccccn2)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000475565465 890496046 /nfs/dbraw/zinc/49/60/46/890496046.db2.gz PUUKCBQLOJQQMZ-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475692102 890631804 /nfs/dbraw/zinc/63/18/04/890631804.db2.gz GAXMBMUZTROJRE-RYUDHWBXSA-N 1 0 401.394 4.167 20 5 HIBDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066020 891999434 /nfs/dbraw/zinc/99/94/34/891999434.db2.gz MTFDOEGCOZCPGW-WNNBVUDTSA-N 1 0 413.499 4.223 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000504894380 913625064 /nfs/dbraw/zinc/62/50/64/913625064.db2.gz LCJDBLOYEVLBOF-QZTJIDSGSA-N 1 0 405.564 4.236 20 5 HIBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000477290295 892249789 /nfs/dbraw/zinc/24/97/89/892249789.db2.gz OLTPZXSRGCGKFX-GOSISDBHSA-N 1 0 404.555 4.415 20 5 HIBDRO Cc1c(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000477723955 892827096 /nfs/dbraw/zinc/82/70/96/892827096.db2.gz KMYAQNYGMGJGQH-LBPRGKRZSA-N 1 0 406.280 4.173 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]Cc2ccnc3ccnn32)cc1 ZINC000478261816 893448623 /nfs/dbraw/zinc/44/86/23/893448623.db2.gz UGCLYLXQMRMBTR-UHFFFAOYSA-N 1 0 409.833 4.373 20 5 HIBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000505133969 913834630 /nfs/dbraw/zinc/83/46/30/913834630.db2.gz HOMXYZIBRSYQNN-UHFFFAOYSA-N 1 0 401.382 4.220 20 5 HIBDRO Cn1cc(C[NH2+]CCCCc2ccc(F)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479413398 894721567 /nfs/dbraw/zinc/72/15/67/894721567.db2.gz CWLDDGOPHORWGL-UHFFFAOYSA-N 1 0 400.429 4.386 20 5 HIBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000479860328 895197297 /nfs/dbraw/zinc/19/72/97/895197297.db2.gz LZAYODUXUPIKFC-UHFFFAOYSA-N 1 0 405.502 4.031 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480260580 895668080 /nfs/dbraw/zinc/66/80/80/895668080.db2.gz JDAOXDHFWJERQK-HRAATJIYSA-N 1 0 403.910 4.281 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505329633 913993937 /nfs/dbraw/zinc/99/39/37/913993937.db2.gz FBYVNRJAKBNPOL-LJQANCHMSA-N 1 0 416.522 4.342 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000480696971 896058420 /nfs/dbraw/zinc/05/84/20/896058420.db2.gz JWQDAEXUIPAZHG-IRXDYDNUSA-N 1 0 422.572 4.226 20 5 HIBDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480769494 896131980 /nfs/dbraw/zinc/13/19/80/896131980.db2.gz PKZDOCWAXHURBS-MRXNPFEDSA-N 1 0 424.526 4.406 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000481297847 896642211 /nfs/dbraw/zinc/64/22/11/896642211.db2.gz ZLNDBXRNBFYHKR-QFIPXVFZSA-N 1 0 415.484 4.448 20 5 HIBDRO CCc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481875680 897248043 /nfs/dbraw/zinc/24/80/43/897248043.db2.gz QGJPRVHTKZIRAT-YADHBBJMSA-N 1 0 407.514 4.284 20 5 HIBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482023688 897428436 /nfs/dbraw/zinc/42/84/36/897428436.db2.gz BJENXWSYTRDQTO-UHFFFAOYSA-N 1 0 416.909 4.339 20 5 HIBDRO Cc1c([C@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000482028382 897435794 /nfs/dbraw/zinc/43/57/94/897435794.db2.gz BKKJTVBXBNGDAM-AWEZNQCLSA-N 1 0 420.307 4.136 20 5 HIBDRO C[C@@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000482109225 897560204 /nfs/dbraw/zinc/56/02/04/897560204.db2.gz SGFZHWQBPDROCI-QRWLVFNGSA-N 1 0 423.435 4.338 20 5 HIBDRO CCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCc2sccc2C1 ZINC000482246821 897729832 /nfs/dbraw/zinc/72/98/32/897729832.db2.gz LFPUXBZVEOOISR-MAUKXSAKSA-N 1 0 401.532 4.369 20 5 HIBDRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482281417 897774363 /nfs/dbraw/zinc/77/43/63/897774363.db2.gz DVUXMTWAMZZTEF-AVCGJXAMSA-N 1 0 422.529 4.352 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000482412987 897958463 /nfs/dbraw/zinc/95/84/63/897958463.db2.gz HVIADLZVLRAZKO-QGZVFWFLSA-N 1 0 407.561 4.437 20 5 HIBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)C1 ZINC000505517349 914206590 /nfs/dbraw/zinc/20/65/90/914206590.db2.gz YBYVIAULSFLKEM-QFIPXVFZSA-N 1 0 411.527 4.304 20 5 HIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000482499699 898080490 /nfs/dbraw/zinc/08/04/90/898080490.db2.gz OMISXMGEEBSTND-INIZCTEOSA-N 1 0 402.516 4.204 20 5 HIBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482503406 898084754 /nfs/dbraw/zinc/08/47/54/898084754.db2.gz FJSAXQUVRKWNNT-LPHOPBHVSA-N 1 0 416.522 4.198 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(c4nnc5n4CCCC5)CC3)o2)c1 ZINC000482505869 898087782 /nfs/dbraw/zinc/08/77/82/898087782.db2.gz ILIQSWCNNZERJX-UHFFFAOYSA-N 1 0 407.474 4.162 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2ccccc2[N+](=O)[O-])c1 ZINC000482667661 898270012 /nfs/dbraw/zinc/27/00/12/898270012.db2.gz WOVYDNLUXTUQNZ-HNNXBMFYSA-N 1 0 400.454 4.159 20 5 HIBDRO COc1cccc([C@@H]2[C@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000482826596 898434876 /nfs/dbraw/zinc/43/48/76/898434876.db2.gz PIBNXZBOFCSMIL-NFBKMPQASA-N 1 0 423.513 4.236 20 5 HIBDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000482826600 898435250 /nfs/dbraw/zinc/43/52/50/898435250.db2.gz PIBNXZBOFCSMIL-NZQKXSOJSA-N 1 0 423.513 4.236 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000482941093 898563176 /nfs/dbraw/zinc/56/31/76/898563176.db2.gz AOHOEWCQTFNCTN-KRWDZBQOSA-N 1 0 419.485 4.471 20 5 HIBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000483381683 899016729 /nfs/dbraw/zinc/01/67/29/899016729.db2.gz PRJGMXTXSNQCSR-UHFFFAOYSA-N 1 0 413.316 4.005 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000483497080 899155075 /nfs/dbraw/zinc/15/50/75/899155075.db2.gz TZIZTUHQQXGBLN-UHFFFAOYSA-N 1 0 403.504 4.290 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000505632658 914332712 /nfs/dbraw/zinc/33/27/12/914332712.db2.gz JXAJITKVOMWTNR-UHFFFAOYSA-N 1 0 410.518 4.453 20 5 HIBDRO COc1cc(C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000484284857 899852116 /nfs/dbraw/zinc/85/21/16/899852116.db2.gz PWZGOLJYAJAFBD-UHFFFAOYSA-N 1 0 415.515 4.066 20 5 HIBDRO CCc1ccc([C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cc1 ZINC000484566662 900037689 /nfs/dbraw/zinc/03/76/89/900037689.db2.gz HHOREBRCDMUZMY-JOCHJYFZSA-N 1 0 407.470 4.428 20 5 HIBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000484900054 900280382 /nfs/dbraw/zinc/28/03/82/900280382.db2.gz MLHRSLGLRZRZBT-QGZVFWFLSA-N 1 0 401.894 4.280 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000484945792 900314063 /nfs/dbraw/zinc/31/40/63/900314063.db2.gz CXJFIJCVKAMHQO-MSOLQXFVSA-N 1 0 413.905 4.151 20 5 HIBDRO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(Br)cc1[N+](=O)[O-] ZINC000486014688 901222946 /nfs/dbraw/zinc/22/29/46/901222946.db2.gz YMBJCHXSPSWOKS-KXBFYZLASA-N 1 0 419.323 4.190 20 5 HIBDRO CSc1cccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000486406383 901567608 /nfs/dbraw/zinc/56/76/08/901567608.db2.gz KFMMMTBXTQXALR-WMZOPIPTSA-N 1 0 413.543 4.442 20 5 HIBDRO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)ccc1[N+](=O)[O-] ZINC000486832239 901882929 /nfs/dbraw/zinc/88/29/29/901882929.db2.gz GDLKGIKOZFHKOL-WZONZLPQSA-N 1 0 420.469 4.207 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1SC ZINC000486901045 901945805 /nfs/dbraw/zinc/94/58/05/901945805.db2.gz OVLOAOYLDGHDIP-UHFFFAOYSA-N 1 0 421.563 4.054 20 5 HIBDRO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000487655723 902276278 /nfs/dbraw/zinc/27/62/78/902276278.db2.gz OOBXZBCBOSNDLP-IBGZPJMESA-N 1 0 411.527 4.446 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000487774379 902356443 /nfs/dbraw/zinc/35/64/43/902356443.db2.gz RRZHZESTHOXENF-HXUWFJFHSA-N 1 0 422.529 4.155 20 5 HIBDRO CSc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000489349280 903342368 /nfs/dbraw/zinc/34/23/68/903342368.db2.gz BONYGFJQXMCNLP-UHFFFAOYSA-N 1 0 405.545 4.020 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000489530491 903441885 /nfs/dbraw/zinc/44/18/85/903441885.db2.gz DNVFGPYHDLVNFN-PKOBYXMFSA-N 1 0 410.518 4.182 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000489574017 903473345 /nfs/dbraw/zinc/47/33/45/903473345.db2.gz RMAFVSOLBZFWPW-VPWXQRGCSA-N 1 0 416.547 4.408 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489752084 903579356 /nfs/dbraw/zinc/57/93/56/903579356.db2.gz MYXNFKGOSBCZBJ-QZTJIDSGSA-N 1 0 424.545 4.286 20 5 HIBDRO CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000489917240 903674064 /nfs/dbraw/zinc/67/40/64/903674064.db2.gz WVGABZRDHMMGIM-ROUUACIJSA-N 1 0 402.520 4.244 20 5 HIBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000490402153 903986049 /nfs/dbraw/zinc/98/60/49/903986049.db2.gz RBXOEBAMZWDKIC-UHFFFAOYSA-N 1 0 416.909 4.027 20 5 HIBDRO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490788238 904233602 /nfs/dbraw/zinc/23/36/02/904233602.db2.gz BANFROMMZOIWPK-HOCLYGCPSA-N 1 0 421.419 4.254 20 5 HIBDRO C[C@H](OC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830270 904273521 /nfs/dbraw/zinc/27/35/21/904273521.db2.gz WNSNEIVCVFASNW-YCRPNKLZSA-N 1 0 404.894 4.351 20 5 HIBDRO Cc1cc([C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)ccc1F ZINC000491135758 904447725 /nfs/dbraw/zinc/44/77/25/904447725.db2.gz ZAUJQGHLCZDSPO-NRFANRHFSA-N 1 0 411.433 4.313 20 5 HIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000491138866 904449725 /nfs/dbraw/zinc/44/97/25/904449725.db2.gz QIZQPVDRXLPPCG-OAHLLOKOSA-N 1 0 400.385 4.303 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)c2ccccc2)c1 ZINC000491309890 904528959 /nfs/dbraw/zinc/52/89/59/904528959.db2.gz ZPSKCJGTLSGLAF-FYYLOGMGSA-N 1 0 423.538 4.409 20 5 HIBDRO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000492934821 904953784 /nfs/dbraw/zinc/95/37/84/904953784.db2.gz BNWDIBKCWAYYTN-XMSQKQJNSA-N 1 0 410.518 4.352 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000506237700 914858141 /nfs/dbraw/zinc/85/81/41/914858141.db2.gz ZIBKGSGWERLVHL-UHFFFAOYSA-N 1 0 422.529 4.197 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000493081552 905015353 /nfs/dbraw/zinc/01/53/53/905015353.db2.gz RHERSMYTDLGHNK-FHWLQOOXSA-N 1 0 402.539 4.260 20 5 HIBDRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493210871 905052906 /nfs/dbraw/zinc/05/29/06/905052906.db2.gz NOVKJEOJUGDYCV-GFCCVEGCSA-N 1 0 409.273 4.147 20 5 HIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000493601416 905171086 /nfs/dbraw/zinc/17/10/86/905171086.db2.gz HDMJQSKLANLACJ-ZWKOTPCHSA-N 1 0 414.449 4.075 20 5 HIBDRO CCOc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000493987064 905332111 /nfs/dbraw/zinc/33/21/11/905332111.db2.gz YZWOWXOGIQGMBJ-UHFFFAOYSA-N 1 0 413.474 4.111 20 5 HIBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)(C)C[NH+]1CCCCCC1 ZINC000494030122 905372240 /nfs/dbraw/zinc/37/22/40/905372240.db2.gz ZGADCKYMFJLQRY-UHFFFAOYSA-N 1 0 419.569 4.268 20 5 HIBDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000494037368 905377650 /nfs/dbraw/zinc/37/76/50/905377650.db2.gz GTAMRPWTIDMUCI-QPPBQGQZSA-N 1 0 417.513 4.295 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000494077271 905414979 /nfs/dbraw/zinc/41/49/79/905414979.db2.gz GUHIAOISCHUCFC-JXFKEZNVSA-N 1 0 413.543 4.488 20 5 HIBDRO Cc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OCC[NH+](C)C)c1 ZINC000494166411 905504068 /nfs/dbraw/zinc/50/40/68/905504068.db2.gz ZFGQZFTWRXHUER-UHFFFAOYSA-N 1 0 412.490 4.040 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494445459 905728720 /nfs/dbraw/zinc/72/87/20/905728720.db2.gz JIXDQAWVNXSVAK-JPYJTQIMSA-N 1 0 422.529 4.179 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494492772 905779418 /nfs/dbraw/zinc/77/94/18/905779418.db2.gz MFURASJJRLCNIN-OYYNGEPBSA-N 1 0 421.856 4.143 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494495219 905782384 /nfs/dbraw/zinc/78/23/84/905782384.db2.gz MPNDEFUNTRGOJG-HNNXBMFYSA-N 1 0 424.432 4.428 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000495023398 906183228 /nfs/dbraw/zinc/18/32/28/906183228.db2.gz GVAVBYZQMFIUKD-GHTZIAJQSA-N 1 0 422.529 4.322 20 5 HIBDRO O=C1C[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000495045002 906200867 /nfs/dbraw/zinc/20/08/67/906200867.db2.gz GWTRIQSPVXJROZ-CJFMBICVSA-N 1 0 415.493 4.323 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1Cc1ccccc1 ZINC000512546413 921227686 /nfs/dbraw/zinc/22/76/86/921227686.db2.gz VDAOPYHQIXXLRN-FUHWJXTLSA-N 1 0 406.486 4.107 20 5 HIBDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)ncn1 ZINC000495272748 906352139 /nfs/dbraw/zinc/35/21/39/906352139.db2.gz OZJGFKRVIJFJDS-SFHVURJKSA-N 1 0 423.542 4.434 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000512568593 921242401 /nfs/dbraw/zinc/24/24/01/921242401.db2.gz JBESCIJANWNJGL-HXUWFJFHSA-N 1 0 406.866 4.220 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000512609921 921259711 /nfs/dbraw/zinc/25/97/11/921259711.db2.gz SRFWBIXJKLKWRN-IAGOWNOFSA-N 1 0 416.522 4.198 20 5 HIBDRO C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000497295095 906829071 /nfs/dbraw/zinc/82/90/71/906829071.db2.gz QJKVOQBCTHLEPE-SFHVURJKSA-N 1 0 410.518 4.088 20 5 HIBDRO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000497295094 906829608 /nfs/dbraw/zinc/82/96/08/906829608.db2.gz QJKVOQBCTHLEPE-GOSISDBHSA-N 1 0 410.518 4.088 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497705861 907210605 /nfs/dbraw/zinc/21/06/05/907210605.db2.gz JNJKWODTBAFQCG-HXUWFJFHSA-N 1 0 422.510 4.285 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497705876 907210683 /nfs/dbraw/zinc/21/06/83/907210683.db2.gz JSBIUJRDYPDGGL-HXUWFJFHSA-N 1 0 422.510 4.285 20 5 HIBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497730202 907228577 /nfs/dbraw/zinc/22/85/77/907228577.db2.gz OIHCOXDSICPGAQ-IBGZPJMESA-N 1 0 422.510 4.285 20 5 HIBDRO CCOc1cc(C(=O)Nc2cccc(C[NH+](CC)CC)c2)c([N+](=O)[O-])cc1OC ZINC000497874840 907350496 /nfs/dbraw/zinc/35/04/96/907350496.db2.gz MWCDIOYPWKHFTM-UHFFFAOYSA-N 1 0 401.463 4.096 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498132546 907652120 /nfs/dbraw/zinc/65/21/20/907652120.db2.gz QTBUPKUYSXDFHA-INIZCTEOSA-N 1 0 404.470 4.098 20 5 HIBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498356191 907855766 /nfs/dbraw/zinc/85/57/66/907855766.db2.gz ZJSNUNZNRCNIFS-IRXDYDNUSA-N 1 0 403.866 4.045 20 5 HIBDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC[N@@H+]2C2CC2)c1 ZINC000498386711 907873390 /nfs/dbraw/zinc/87/33/90/907873390.db2.gz KCIUNURHVNAQMK-CTNGQTDRSA-N 1 0 410.474 4.011 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000498445182 907909623 /nfs/dbraw/zinc/90/96/23/907909623.db2.gz KESCGGLUZWGSHL-SFHVURJKSA-N 1 0 420.513 4.098 20 5 HIBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000498456465 907920259 /nfs/dbraw/zinc/92/02/59/907920259.db2.gz FLXNTRSIVLGPIV-KRWDZBQOSA-N 1 0 422.957 4.088 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000498472578 907941020 /nfs/dbraw/zinc/94/10/20/907941020.db2.gz LCWRKPIWTNRSGS-SJORKVTESA-N 1 0 422.957 4.087 20 5 HIBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498719511 908145484 /nfs/dbraw/zinc/14/54/84/908145484.db2.gz FJYXDISUJGUIGU-OAHLLOKOSA-N 1 0 416.909 4.027 20 5 HIBDRO CC[N@H+](C)CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000498741068 908169839 /nfs/dbraw/zinc/16/98/39/908169839.db2.gz WOZRONBSOXLTFT-VKAVYKQESA-N 1 0 424.526 4.203 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[NH+](C)C)cc1 ZINC000499170985 908523396 /nfs/dbraw/zinc/52/33/96/908523396.db2.gz YXNCVRRBTQSFCX-LJQANCHMSA-N 1 0 410.499 4.059 20 5 HIBDRO 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 921526681 /nfs/dbraw/zinc/52/66/81/921526681.db2.gz YZZWKZWLJCQXSY-FLFBIERCSA-N 1 0 417.550 4.287 20 5 HIBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000500722892 910041639 /nfs/dbraw/zinc/04/16/39/910041639.db2.gz KRKGDPACRNAKBT-UHFFFAOYSA-N 1 0 402.882 4.377 20 5 HIBDRO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000513105130 921552941 /nfs/dbraw/zinc/55/29/41/921552941.db2.gz RWHYJYLLQJHGNX-UHFFFAOYSA-N 1 0 409.442 4.398 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@]3(Cc4ccc(Cl)cc4)CCOC3)co2)cc1 ZINC000502548139 911553729 /nfs/dbraw/zinc/55/37/29/911553729.db2.gz SXNFLVYFJDLZBS-NRFANRHFSA-N 1 0 413.861 4.395 20 5 HIBDRO C[N@H+](CC1CCOCC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000502553220 911562213 /nfs/dbraw/zinc/56/22/13/911562213.db2.gz LBTNYWLQFZXKHT-FQEVSTJZSA-N 1 0 417.893 4.286 20 5 HIBDRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506357181 914979406 /nfs/dbraw/zinc/97/94/06/914979406.db2.gz RGBKAZUJXWIPGF-HNNXBMFYSA-N 1 0 414.483 4.451 20 5 HIBDRO COc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506562350 915209188 /nfs/dbraw/zinc/20/91/88/915209188.db2.gz PAKZSCUPNWTRJJ-IBGZPJMESA-N 1 0 412.486 4.183 20 5 HIBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000507097178 915867126 /nfs/dbraw/zinc/86/71/26/915867126.db2.gz DLVFRFHANYAZJL-OAHLLOKOSA-N 1 0 417.893 4.246 20 5 HIBDRO CC(C)[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000507168007 915910020 /nfs/dbraw/zinc/91/00/20/915910020.db2.gz AFTKEDGMIDWCHS-UHFFFAOYSA-N 1 0 408.458 4.167 20 5 HIBDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507481955 916248831 /nfs/dbraw/zinc/24/88/31/916248831.db2.gz DMHHQOQQFQBYRX-LSDHHAIUSA-N 1 0 403.504 4.011 20 5 HIBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000507931490 916805416 /nfs/dbraw/zinc/80/54/16/916805416.db2.gz VFCZIAGACYMXSL-CQSZACIVSA-N 1 0 405.882 4.435 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507943154 916809714 /nfs/dbraw/zinc/80/97/14/916809714.db2.gz YHOZGEQHWRADCV-FQEVSTJZSA-N 1 0 420.465 4.276 20 5 HIBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000508218354 917035221 /nfs/dbraw/zinc/03/52/21/917035221.db2.gz YAGUQPSIBUPGQV-UHFFFAOYSA-N 1 0 415.484 4.154 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+](C)C ZINC000508858042 917611952 /nfs/dbraw/zinc/61/19/52/917611952.db2.gz XSPWTGMEWIGYRG-VGSWGCGISA-N 1 0 410.518 4.269 20 5 HIBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509182206 917892062 /nfs/dbraw/zinc/89/20/62/917892062.db2.gz ZAGZWBNBVBSCSA-FQEVSTJZSA-N 1 0 411.502 4.120 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000509261679 917951762 /nfs/dbraw/zinc/95/17/62/917951762.db2.gz CUYPTVGVLGVXMJ-UHFFFAOYSA-N 1 0 424.545 4.488 20 5 HIBDRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000509346948 918013395 /nfs/dbraw/zinc/01/33/95/918013395.db2.gz ZDSOBRJJXNBABR-HYXAFXHYSA-N 1 0 400.866 4.007 20 5 HIBDRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000509528617 918174980 /nfs/dbraw/zinc/17/49/80/918174980.db2.gz SIUCNKQPCJNYPA-HWKANZROSA-N 1 0 415.877 4.318 20 5 HIBDRO Cc1nccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000509943389 918539770 /nfs/dbraw/zinc/53/97/70/918539770.db2.gz LGYLBOCGLMWHRO-UHFFFAOYSA-N 1 0 416.485 4.132 20 5 HIBDRO COc1ccc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)cc1[N+](=O)[O-] ZINC000510426390 918890831 /nfs/dbraw/zinc/89/08/31/918890831.db2.gz DXMICRTZPMZUNY-UHFFFAOYSA-N 1 0 412.465 4.208 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+](C)C ZINC000510549958 918995372 /nfs/dbraw/zinc/99/53/72/918995372.db2.gz NILMZUBTRABZOQ-OSPHWJPCSA-N 1 0 413.521 4.411 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000510550215 918995523 /nfs/dbraw/zinc/99/55/23/918995523.db2.gz SMBFXLPQBJEBRV-SCLBCKFNSA-N 1 0 420.307 4.087 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510551375 918997045 /nfs/dbraw/zinc/99/70/45/918997045.db2.gz TZLJEXKLBMMRSM-FOIQADDNSA-N 1 0 401.532 4.436 20 5 HIBDRO COc1cc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000510891157 919388215 /nfs/dbraw/zinc/38/82/15/919388215.db2.gz BSFJYGJSCVJCMF-IAGOWNOFSA-N 1 0 411.502 4.011 20 5 HIBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000511520495 920138445 /nfs/dbraw/zinc/13/84/45/920138445.db2.gz DBEPOQDUTNJXHH-UHFFFAOYSA-N 1 0 411.252 4.002 20 5 HIBDRO CC(=O)NCC1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000511639822 920302613 /nfs/dbraw/zinc/30/26/13/920302613.db2.gz JCEQRGIKOPXIGX-UHFFFAOYSA-N 1 0 417.893 4.389 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511860062 920585779 /nfs/dbraw/zinc/58/57/79/920585779.db2.gz OXRRRKLWOYGMMT-KZNAEPCWSA-N 1 0 424.419 4.279 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000512303588 921058810 /nfs/dbraw/zinc/05/88/10/921058810.db2.gz SZADLMPMUFHIQM-UHFFFAOYSA-N 1 0 417.556 4.183 20 5 HIBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513502634 921852718 /nfs/dbraw/zinc/85/27/18/921852718.db2.gz CCXBPPWLHNIOJO-LJQANCHMSA-N 1 0 400.475 4.041 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000513516531 921863162 /nfs/dbraw/zinc/86/31/62/921863162.db2.gz XRLRSYFYXZIFMY-OAQYLSRUSA-N 1 0 414.893 4.378 20 5 HIBDRO COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000513789001 922116654 /nfs/dbraw/zinc/11/66/54/922116654.db2.gz BAUMNPFTOKNASX-JZWVFAODSA-N 1 0 420.513 4.427 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000513823591 922147444 /nfs/dbraw/zinc/14/74/44/922147444.db2.gz XCQMXOKMKDDOTE-RXVVDRJESA-N 1 0 411.502 4.049 20 5 HIBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000514117498 922450299 /nfs/dbraw/zinc/45/02/99/922450299.db2.gz XIHBGHOYADULJN-IBGZPJMESA-N 1 0 413.474 4.086 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000514175370 922512745 /nfs/dbraw/zinc/51/27/45/922512745.db2.gz YMMRNDOUYSREFO-KRWDZBQOSA-N 1 0 407.417 4.009 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CCCN(c3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000514971869 922860052 /nfs/dbraw/zinc/86/00/52/922860052.db2.gz FVJQEPMBHDCILP-UHFFFAOYSA-N 1 0 416.909 4.098 20 5 HIBDRO CCc1cccc2c(C3CC[NH+](C[C@@H](O)COc4cccc([N+](=O)[O-])c4)CC3)c[nH]c21 ZINC000515508563 923140799 /nfs/dbraw/zinc/14/07/99/923140799.db2.gz GTMIZZNGKAKWMS-HXUWFJFHSA-N 1 0 423.513 4.258 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000515528755 923157700 /nfs/dbraw/zinc/15/77/00/923157700.db2.gz NAFVTZMYQOTRPR-KKSFZXQISA-N 1 0 414.506 4.047 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)s1 ZINC000517615612 926725571 /nfs/dbraw/zinc/72/55/71/926725571.db2.gz LJCFGGYCIVYUBQ-CQSZACIVSA-N 1 0 407.923 4.212 20 5 HIBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCCCC[NH+]3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000518923070 927629360 /nfs/dbraw/zinc/62/93/60/927629360.db2.gz CBKIWRURYQXMKN-IBGZPJMESA-N 1 0 416.566 4.217 20 5 HIBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000520061256 928286445 /nfs/dbraw/zinc/28/64/45/928286445.db2.gz KTEJSIFDHUXXQY-GOSISDBHSA-N 1 0 410.518 4.057 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000520686065 928733970 /nfs/dbraw/zinc/73/39/70/928733970.db2.gz YNKVBSDKSJCPIK-QGZVFWFLSA-N 1 0 419.485 4.407 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000521720370 929388535 /nfs/dbraw/zinc/38/85/35/929388535.db2.gz PGAFWVALQHOBNA-UHFFFAOYSA-N 1 0 421.522 4.472 20 5 HIBDRO CCn1nc(C)c(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1C ZINC000521831648 929483325 /nfs/dbraw/zinc/48/33/25/929483325.db2.gz DEHNMCQWYFNNGT-UHFFFAOYSA-N 1 0 424.501 4.305 20 5 HIBDRO O=C1[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCN1c1ccccc1 ZINC000524687671 929800135 /nfs/dbraw/zinc/80/01/35/929800135.db2.gz ZSJAUGNKJGSTED-HXUWFJFHSA-N 1 0 421.428 4.421 20 5 HIBDRO COc1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000525273767 930125611 /nfs/dbraw/zinc/12/56/11/930125611.db2.gz XSQATBWQJBSWJJ-HNNXBMFYSA-N 1 0 400.422 4.128 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000525551269 930320025 /nfs/dbraw/zinc/32/00/25/930320025.db2.gz HMBURRSNEHXWHI-QRWLVFNGSA-N 1 0 414.531 4.044 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000530966078 930870398 /nfs/dbraw/zinc/87/03/98/930870398.db2.gz FWIFWWPJEVFAPG-KBPBESRZSA-N 1 0 407.873 4.393 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C3CCC(c4nc(C)no4)CC3)o2)c([N+](=O)[O-])c1 ZINC000531001327 930880690 /nfs/dbraw/zinc/88/06/90/930880690.db2.gz FTLYXKKLSMFYRG-UHFFFAOYSA-N 1 0 412.446 4.371 20 5 HIBDRO COc1ccccc1C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000531129694 930934332 /nfs/dbraw/zinc/93/43/32/930934332.db2.gz QRAROFCLZJYKAZ-LIRRHRJNSA-N 1 0 419.909 4.441 20 5 HIBDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204494 930964410 /nfs/dbraw/zinc/96/44/10/930964410.db2.gz GEXADSDINOFHIU-NVXWUHKLSA-N 1 0 421.501 4.384 20 5 HIBDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000531451411 931062657 /nfs/dbraw/zinc/06/26/57/931062657.db2.gz DGFYGFDOGJONHK-UHFFFAOYSA-N 1 0 423.498 4.277 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000531717625 931172454 /nfs/dbraw/zinc/17/24/54/931172454.db2.gz QAWJANBFRACSHP-QGZVFWFLSA-N 1 0 419.485 4.471 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000531759001 931186137 /nfs/dbraw/zinc/18/61/37/931186137.db2.gz AEGDQEKAGYDFDV-JXXFODFXSA-N 1 0 422.403 4.220 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532119783 931320603 /nfs/dbraw/zinc/32/06/03/931320603.db2.gz GXOZBUKKWHGZAX-NJDAHSKKSA-N 1 0 412.486 4.230 20 5 HIBDRO Cc1ccc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000532321663 931396447 /nfs/dbraw/zinc/39/64/47/931396447.db2.gz SQYMRDDZNUNSOA-AWEZNQCLSA-N 1 0 414.815 4.339 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000532488612 931458367 /nfs/dbraw/zinc/45/83/67/931458367.db2.gz NROVJYCZPIZWMX-CQSZACIVSA-N 1 0 420.307 4.136 20 5 HIBDRO CN(C)c1cccc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000532577470 931537028 /nfs/dbraw/zinc/53/70/28/931537028.db2.gz JZPJZINUTZTEIC-GOSISDBHSA-N 1 0 402.882 4.090 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532627635 931560353 /nfs/dbraw/zinc/56/03/53/931560353.db2.gz GTBDJVDATHICAY-IBGZPJMESA-N 1 0 412.486 4.374 20 5 HIBDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893998 931682748 /nfs/dbraw/zinc/68/27/48/931682748.db2.gz ULXJSQPGAUUHIK-RDTXWAMCSA-N 1 0 411.458 4.274 20 5 HIBDRO CCC[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532974932 931722100 /nfs/dbraw/zinc/72/21/00/931722100.db2.gz AECWETCJJDTPEC-QGZVFWFLSA-N 1 0 406.280 4.379 20 5 HIBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000533407165 931860500 /nfs/dbraw/zinc/86/05/00/931860500.db2.gz MNVVJZITEABFPZ-UTKZUKDTSA-N 1 0 421.501 4.302 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513640 931890755 /nfs/dbraw/zinc/89/07/55/931890755.db2.gz MGOKFXJSZIPBET-NRFANRHFSA-N 1 0 401.438 4.202 20 5 HIBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000533524476 931894465 /nfs/dbraw/zinc/89/44/65/931894465.db2.gz HUHWFPYJDGIDOU-OAQYLSRUSA-N 1 0 421.501 4.346 20 5 HIBDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000533543590 931897910 /nfs/dbraw/zinc/89/79/10/931897910.db2.gz RNBOKOOLDQNNQR-UHFFFAOYSA-N 1 0 410.518 4.057 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000533975965 932153518 /nfs/dbraw/zinc/15/35/18/932153518.db2.gz VZFOQAAVIAXABY-QGZVFWFLSA-N 1 0 412.534 4.122 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(CN(CCCO)Cc3cccc(Cl)c3)co2)cc1 ZINC000534105830 932281244 /nfs/dbraw/zinc/28/12/44/932281244.db2.gz YIGRSGIRZAXCMA-UHFFFAOYSA-N 1 0 401.850 4.288 20 5 HIBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534242207 932360749 /nfs/dbraw/zinc/36/07/49/932360749.db2.gz IILAWEZDOIDQRY-FZKQIMNGSA-N 1 0 406.845 4.202 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534621136 932602487 /nfs/dbraw/zinc/60/24/87/932602487.db2.gz JSBSSMAYIWDQAT-UHFFFAOYSA-N 1 0 424.526 4.115 20 5 HIBDRO COc1cc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535052451 932892791 /nfs/dbraw/zinc/89/27/91/932892791.db2.gz ZOJJBNQKICZSOO-HZPDHXFCSA-N 1 0 400.475 4.228 20 5 HIBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000535267238 933042569 /nfs/dbraw/zinc/04/25/69/933042569.db2.gz AYBMMSRQFXKLFM-HXUWFJFHSA-N 1 0 420.897 4.118 20 5 HIBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000535555977 933240312 /nfs/dbraw/zinc/24/03/12/933240312.db2.gz MUPOUXUJVKOMBH-QFIPXVFZSA-N 1 0 406.486 4.346 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc1-c1ccccc1 ZINC000535594129 933259709 /nfs/dbraw/zinc/25/97/09/933259709.db2.gz FVMMLGKEOYZYHA-UHFFFAOYSA-N 1 0 418.497 4.294 20 5 HIBDRO COc1cc(CNc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000535837981 933423338 /nfs/dbraw/zinc/42/33/38/933423338.db2.gz HKRDJKJXSTZWGX-UHFFFAOYSA-N 1 0 413.396 4.218 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536009861 933567391 /nfs/dbraw/zinc/56/73/91/933567391.db2.gz QYNRSOYWNYJPOK-GOSISDBHSA-N 1 0 422.529 4.237 20 5 HIBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000537299188 933703678 /nfs/dbraw/zinc/70/36/78/933703678.db2.gz ACKIGIFHNYWYAH-KGLIPLIRSA-N 1 0 405.882 4.245 20 5 HIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000537323673 933716768 /nfs/dbraw/zinc/71/67/68/933716768.db2.gz LHABWKOOTVYQMD-GCJKJVERSA-N 1 0 419.529 4.138 20 5 HIBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537375470 933743447 /nfs/dbraw/zinc/74/34/47/933743447.db2.gz SKYQHBUPEMJGMK-ZWKOTPCHSA-N 1 0 421.419 4.481 20 5 HIBDRO COc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537624150 938337679 /nfs/dbraw/zinc/33/76/79/938337679.db2.gz RVIIEVSMIMMLPZ-UHFFFAOYSA-N 1 0 422.485 4.285 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537642707 938344459 /nfs/dbraw/zinc/34/44/59/938344459.db2.gz UHIVTLJXJDBJET-LJQANCHMSA-N 1 0 423.513 4.238 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537648642 938345705 /nfs/dbraw/zinc/34/57/05/938345705.db2.gz WXWZCKJSXIHTBF-WOJBJXKFSA-N 1 0 412.486 4.041 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000537963537 938436517 /nfs/dbraw/zinc/43/65/17/938436517.db2.gz NVVQCSJVGAJPCO-DZGCQCFKSA-N 1 0 406.508 4.154 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000537963940 938437380 /nfs/dbraw/zinc/43/73/80/938437380.db2.gz AIDDNACVQCSSPF-LRDDRELGSA-N 1 0 409.280 4.140 20 5 HIBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538125711 938511531 /nfs/dbraw/zinc/51/15/31/938511531.db2.gz YVPACWBUSNWLMM-QUCCMNQESA-N 1 0 400.475 4.087 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000538162225 938530403 /nfs/dbraw/zinc/53/04/03/938530403.db2.gz BTGDVGLBOMIZEY-OAHLLOKOSA-N 1 0 401.463 4.070 20 5 HIBDRO CCC(CC)[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000538179376 938539967 /nfs/dbraw/zinc/53/99/67/938539967.db2.gz HDYLUQTYEQSZRK-IBGZPJMESA-N 1 0 405.476 4.091 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000538239355 938570411 /nfs/dbraw/zinc/57/04/11/938570411.db2.gz SZCXCAQWERHZBI-GOSISDBHSA-N 1 0 405.495 4.267 20 5 HIBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[NH+](C)C)c1 ZINC000538250159 938574388 /nfs/dbraw/zinc/57/43/88/938574388.db2.gz ZPXWDZVOCKDLKY-IBGZPJMESA-N 1 0 417.531 4.137 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)cs1 ZINC000538426786 938617484 /nfs/dbraw/zinc/61/74/84/938617484.db2.gz RDEYHFKFNSIUKB-UHFFFAOYSA-N 1 0 410.337 4.173 20 5 HIBDRO Cn1cc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538728134 938694014 /nfs/dbraw/zinc/69/40/14/938694014.db2.gz YFFBMRJNGJJINI-QFIPXVFZSA-N 1 0 405.502 4.096 20 5 HIBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000538736873 938697023 /nfs/dbraw/zinc/69/70/23/938697023.db2.gz LCBRRFCVJKJNMQ-IEBWSBKVSA-N 1 0 408.545 4.111 20 5 HIBDRO CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539019661 938771170 /nfs/dbraw/zinc/77/11/70/938771170.db2.gz MCYDRZKYGXGVHR-OAQYLSRUSA-N 1 0 417.531 4.010 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000539039897 938778316 /nfs/dbraw/zinc/77/83/16/938778316.db2.gz HWJRMKSJXROKSZ-GFCCVEGCSA-N 1 0 407.264 4.288 20 5 HIBDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000539060185 938787733 /nfs/dbraw/zinc/78/77/33/938787733.db2.gz SSAIXACVLBZKTP-OAHLLOKOSA-N 1 0 417.531 4.001 20 5 HIBDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000539088388 938800077 /nfs/dbraw/zinc/80/00/77/938800077.db2.gz SXKLCWXCYUXAMJ-MRXNPFEDSA-N 1 0 405.520 4.030 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000539125990 938807122 /nfs/dbraw/zinc/80/71/22/938807122.db2.gz KZIHRWCVWLZQRQ-SGTLLEGYSA-N 1 0 409.280 4.232 20 5 HIBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000539818881 938942177 /nfs/dbraw/zinc/94/21/77/938942177.db2.gz FLBBLTLXURRTKY-PMACEKPBSA-N 1 0 420.893 4.260 20 5 HIBDRO COc1cc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000539824164 938946103 /nfs/dbraw/zinc/94/61/03/938946103.db2.gz AMXMBPRKHVSKBJ-KRWDZBQOSA-N 1 0 405.539 4.089 20 5 HIBDRO COc1ccc(CC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)cc1[N+](=O)[O-] ZINC000539897924 938971498 /nfs/dbraw/zinc/97/14/98/938971498.db2.gz YVESOIMFJWDBEV-UHFFFAOYSA-N 1 0 411.502 4.059 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000539901921 938973726 /nfs/dbraw/zinc/97/37/26/938973726.db2.gz VZCNHNXJYHNYJK-HNNXBMFYSA-N 1 0 417.893 4.293 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000540119055 939079902 /nfs/dbraw/zinc/07/99/02/939079902.db2.gz DAKRHAGMYHAGOJ-LJQANCHMSA-N 1 0 409.530 4.129 20 5 HIBDRO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540150726 939092867 /nfs/dbraw/zinc/09/28/67/939092867.db2.gz LCKSMFMLBYMOFV-CQSZACIVSA-N 1 0 408.545 4.189 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000540155211 939094046 /nfs/dbraw/zinc/09/40/46/939094046.db2.gz FEDGIVAIRNLHFK-CYBMUJFWSA-N 1 0 411.380 4.043 20 5 HIBDRO CC[N@H+](CCC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)CC(C)C ZINC000540195905 939120870 /nfs/dbraw/zinc/12/08/70/939120870.db2.gz MYMPRIZGINIMTC-UHFFFAOYSA-N 1 0 415.538 4.225 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000540391469 939230339 /nfs/dbraw/zinc/23/03/39/939230339.db2.gz XIWTXTDUMSBATP-MRXNPFEDSA-N 1 0 401.532 4.346 20 5 HIBDRO CCSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000540402711 939235527 /nfs/dbraw/zinc/23/55/27/939235527.db2.gz ZLROUQGFWSONAA-AWEZNQCLSA-N 1 0 403.504 4.395 20 5 HIBDRO CCSc1ccc([C@H](C)[NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000540401972 939235617 /nfs/dbraw/zinc/23/56/17/939235617.db2.gz PVIAKWGNPCJWAP-AWEZNQCLSA-N 1 0 401.488 4.356 20 5 HIBDRO 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 939239708 /nfs/dbraw/zinc/23/97/08/939239708.db2.gz MLILAZTUMLBNAQ-FOUBCARRSA-N 1 0 410.518 4.112 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000540424582 939243673 /nfs/dbraw/zinc/24/36/73/939243673.db2.gz SGMRKARMGRAAFT-KGLIPLIRSA-N 1 0 401.438 4.201 20 5 HIBDRO O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000540458181 939259749 /nfs/dbraw/zinc/25/97/49/939259749.db2.gz GLILABKJLKEXNW-UHFFFAOYSA-N 1 0 419.403 4.172 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000540478932 939268924 /nfs/dbraw/zinc/26/89/24/939268924.db2.gz RXDKDQNLTASRHX-CYBMUJFWSA-N 1 0 410.301 4.220 20 5 HIBDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000540591938 939313733 /nfs/dbraw/zinc/31/37/33/939313733.db2.gz LSUMUGQIYQNNMF-IBGZPJMESA-N 1 0 418.291 4.345 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)C1CC1 ZINC000540755318 939360392 /nfs/dbraw/zinc/36/03/92/939360392.db2.gz PPYMSTBXKKGGNT-ROUUACIJSA-N 1 0 417.456 4.386 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1OC ZINC000541056292 939444030 /nfs/dbraw/zinc/44/40/30/939444030.db2.gz HMMITGYICDSYBO-RCCFBDPRSA-N 1 0 406.523 4.277 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000541424968 939512740 /nfs/dbraw/zinc/51/27/40/939512740.db2.gz HPANWBDQQOJTNM-IJEWVQPXSA-N 1 0 411.955 4.204 20 5 HIBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541597445 939563503 /nfs/dbraw/zinc/56/35/03/939563503.db2.gz DHZLWONNUQWEIM-PXNSSMCTSA-N 1 0 417.575 4.433 20 5 HIBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541696457 939607510 /nfs/dbraw/zinc/60/75/10/939607510.db2.gz JHPPYLCHVHJMCM-HNAYVOBHSA-N 1 0 421.856 4.178 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000541763445 939624294 /nfs/dbraw/zinc/62/42/94/939624294.db2.gz LHZSEKSWXRKNFO-LJQANCHMSA-N 1 0 419.485 4.258 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000542212907 939759152 /nfs/dbraw/zinc/75/91/52/939759152.db2.gz WEHKEQCTACSTPH-INIZCTEOSA-N 1 0 422.934 4.245 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000542253185 939773492 /nfs/dbraw/zinc/77/34/92/939773492.db2.gz IPQBELGUNNGYPD-GHTZIAJQSA-N 1 0 410.445 4.047 20 5 HIBDRO Cn1cc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000542689716 939854379 /nfs/dbraw/zinc/85/43/79/939854379.db2.gz QXFHCXQSEKDSJK-PZJWPPBQSA-N 1 0 410.449 4.144 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1OC ZINC000542916956 939877341 /nfs/dbraw/zinc/87/73/41/939877341.db2.gz RDZGAPBESYXSDW-SJORKVTESA-N 1 0 416.522 4.141 20 5 HIBDRO Cc1cc(N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543049085 939909627 /nfs/dbraw/zinc/90/96/27/939909627.db2.gz RLUOAJSGQTXTHB-UHFFFAOYSA-N 1 0 406.442 4.012 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(CCCn4ccnc4)CC3)o2)c1 ZINC000543061238 939914862 /nfs/dbraw/zinc/91/48/62/939914862.db2.gz VMAPFGSISQQYAH-UHFFFAOYSA-N 1 0 409.490 4.181 20 5 HIBDRO CC(C)([C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543401471 940052139 /nfs/dbraw/zinc/05/21/39/940052139.db2.gz OXAQPWVMZKMHGX-OAQYLSRUSA-N 1 0 417.456 4.147 20 5 HIBDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000543428613 940061376 /nfs/dbraw/zinc/06/13/76/940061376.db2.gz ZHQPPGCNCFWHPO-HNNXBMFYSA-N 1 0 400.479 4.328 20 5 HIBDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543453967 940067763 /nfs/dbraw/zinc/06/77/63/940067763.db2.gz WLILBXQLZWCYPG-RBUKOAKNSA-N 1 0 412.511 4.278 20 5 HIBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000543494744 940084027 /nfs/dbraw/zinc/08/40/27/940084027.db2.gz CZJFVKHVHGORRN-NSHDSACASA-N 1 0 422.308 4.028 20 5 HIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560974 940109347 /nfs/dbraw/zinc/10/93/47/940109347.db2.gz ROYHAHAFTDGCMB-OALUTQOASA-N 1 0 412.421 4.136 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@]3(CO)CCOC3)cc2[N+](=O)[O-])c1 ZINC000543621258 940135791 /nfs/dbraw/zinc/13/57/91/940135791.db2.gz KIIBGJVBIQYJMC-QFIPXVFZSA-N 1 0 400.475 4.060 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000544069246 940316872 /nfs/dbraw/zinc/31/68/72/940316872.db2.gz LSEVLBQIHYUAET-KRWDZBQOSA-N 1 0 410.392 4.018 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000544611951 940489978 /nfs/dbraw/zinc/48/99/78/940489978.db2.gz ZEEAEJIPERHOHC-UHFFFAOYSA-N 1 0 407.514 4.306 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000544974439 940530078 /nfs/dbraw/zinc/53/00/78/940530078.db2.gz NPZISCJQYYHPAV-CQSZACIVSA-N 1 0 414.487 4.439 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCC[N@H+](Cc5ccccc5)C4)n3)c2c1 ZINC000545146046 940550640 /nfs/dbraw/zinc/55/06/40/940550640.db2.gz URDSMBYGIPIGMQ-QGZVFWFLSA-N 1 0 417.469 4.430 20 5 HIBDRO CC(C)(C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545863669 940642190 /nfs/dbraw/zinc/64/21/90/940642190.db2.gz HVRGRKVSNWUJPT-QGZVFWFLSA-N 1 0 405.514 4.126 20 5 HIBDRO CCOC(=O)c1cc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cc([N+](=O)[O-])c1 ZINC000547097997 940994588 /nfs/dbraw/zinc/99/45/88/940994588.db2.gz BXZVGPGJLGDVFS-UHFFFAOYSA-N 1 0 422.441 4.084 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000547106007 940998320 /nfs/dbraw/zinc/99/83/20/940998320.db2.gz OENFEAXDEDMHBN-IYBDPMFKSA-N 1 0 408.458 4.229 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000548931855 941130265 /nfs/dbraw/zinc/13/02/65/941130265.db2.gz FCSDQSBKGMEJOU-JOCHJYFZSA-N 1 0 424.545 4.122 20 5 HIBDRO CCOC(=O)C1CCC([N@H+](CC)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000549187781 941169492 /nfs/dbraw/zinc/16/94/92/941169492.db2.gz UQUWGMXPWBKHHP-UHFFFAOYSA-N 1 0 401.463 4.194 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000549814162 941208254 /nfs/dbraw/zinc/20/82/54/941208254.db2.gz XJGSZVRURDZOFR-ZDUSSCGKSA-N 1 0 410.392 4.376 20 5 HIBDRO COc1ccc(C[C@@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])c2ccccc2)cc1OC ZINC000549928255 941241040 /nfs/dbraw/zinc/24/10/40/941241040.db2.gz LNYIVHMSFBPEOZ-HXUWFJFHSA-N 1 0 408.454 4.391 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000550180481 941294689 /nfs/dbraw/zinc/29/46/89/941294689.db2.gz NVVLDDKZYVIHDW-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1OCC[NH+]1CCCC1 ZINC000551300074 941446220 /nfs/dbraw/zinc/44/62/20/941446220.db2.gz CYHSDAYQGXFULO-UHFFFAOYSA-N 1 0 411.502 4.294 20 5 HIBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000551814767 941551799 /nfs/dbraw/zinc/55/17/99/941551799.db2.gz VCGUNXSJWFMXPJ-VLIAUNLRSA-N 1 0 402.516 4.462 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552043567 941572722 /nfs/dbraw/zinc/57/27/22/941572722.db2.gz SFGYPIVEKQJVHO-WZONZLPQSA-N 1 0 419.529 4.233 20 5 HIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000552270996 941619199 /nfs/dbraw/zinc/61/91/99/941619199.db2.gz MYYZAQLKPRLUOA-RCZSKKKRSA-N 1 0 411.502 4.173 20 5 HIBDRO COc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC(F)F ZINC000552277980 941621092 /nfs/dbraw/zinc/62/10/92/941621092.db2.gz PQTFGEQVTHBBSQ-UHFFFAOYSA-N 1 0 408.401 4.248 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1 ZINC000553666262 941939733 /nfs/dbraw/zinc/93/97/33/941939733.db2.gz BKICBBBAMSPAHY-HXUWFJFHSA-N 1 0 417.531 4.137 20 5 HIBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000554097912 942035467 /nfs/dbraw/zinc/03/54/67/942035467.db2.gz HGXJIXPBEMXABU-UHFFFAOYSA-N 1 0 405.542 4.408 20 5 HIBDRO CCOC(=O)C1CCC([N@H+](CC)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000554852990 942289294 /nfs/dbraw/zinc/28/92/94/942289294.db2.gz UZOAYUQAQQZAEN-UHFFFAOYSA-N 1 0 415.490 4.236 20 5 HIBDRO CC(C)(C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000554952386 942331135 /nfs/dbraw/zinc/33/11/35/942331135.db2.gz OWBAOWKPKQUXAY-HXUWFJFHSA-N 1 0 415.921 4.479 20 5 HIBDRO CCc1nc2cc(C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)ccc2n1C1CC1 ZINC000555226195 942436998 /nfs/dbraw/zinc/43/69/98/942436998.db2.gz QZJOPRJUUUMWSV-IEBWSBKVSA-N 1 0 408.506 4.312 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000556615396 942916912 /nfs/dbraw/zinc/91/69/12/942916912.db2.gz WOTMBYNSFSUPKW-HIFRSBDPSA-N 1 0 407.392 4.006 20 5 HIBDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000557493895 943166209 /nfs/dbraw/zinc/16/62/09/943166209.db2.gz DYCJULIHVYKADZ-INIZCTEOSA-N 1 0 415.490 4.378 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000557883567 943320031 /nfs/dbraw/zinc/32/00/31/943320031.db2.gz CCBVBGHCHBGHGQ-JOCHJYFZSA-N 1 0 405.454 4.252 20 5 HIBDRO Cc1cc(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OCc2ccccc2)n1 ZINC000558117513 943384440 /nfs/dbraw/zinc/38/44/40/943384440.db2.gz VKZHZNKOTCFRSI-UHFFFAOYSA-N 1 0 421.501 4.219 20 5 HIBDRO CCOc1cc(C[N@H+]2[C@H](CC)CC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000558423705 943555715 /nfs/dbraw/zinc/55/57/15/943555715.db2.gz OKQPFRVXZFODIZ-QFBILLFUSA-N 1 0 416.522 4.340 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000558779449 943659596 /nfs/dbraw/zinc/65/95/96/943659596.db2.gz LZERDHBRVMKDKK-QGZVFWFLSA-N 1 0 411.502 4.298 20 5 HIBDRO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCCc2ccccc21 ZINC000558932150 943754120 /nfs/dbraw/zinc/75/41/20/943754120.db2.gz UDLNTJVBHMXFNN-UHFFFAOYSA-N 1 0 407.495 4.392 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000559552703 944003025 /nfs/dbraw/zinc/00/30/25/944003025.db2.gz YDLMFWMEUJXFRX-VNHYZAJKSA-N 1 0 424.339 4.143 20 5 HIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000560538590 944247040 /nfs/dbraw/zinc/24/70/40/944247040.db2.gz MISWIMZPTSTDFZ-CZTZKLFOSA-N 1 0 411.502 4.173 20 5 HIBDRO COCC1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000560558124 944254945 /nfs/dbraw/zinc/25/49/45/944254945.db2.gz NXCMYGBVAOXSOY-UHFFFAOYSA-N 1 0 406.866 4.326 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000560569358 944257090 /nfs/dbraw/zinc/25/70/90/944257090.db2.gz DCYZHJQWWZMDTD-MMTROXRISA-N 1 0 412.490 4.076 20 5 HIBDRO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560611458 944273873 /nfs/dbraw/zinc/27/38/73/944273873.db2.gz BPJUVWGJOCJPOW-HXUWFJFHSA-N 1 0 412.877 4.302 20 5 HIBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000560677317 944291256 /nfs/dbraw/zinc/29/12/56/944291256.db2.gz ISPAZWLZWZCIMU-UHFFFAOYSA-N 1 0 418.497 4.204 20 5 HIBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000561228311 944520986 /nfs/dbraw/zinc/52/09/86/944520986.db2.gz OTCQMBMDTJUTRJ-DLBZAZTESA-N 1 0 411.527 4.445 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C1CCOCC1 ZINC000561371269 944564737 /nfs/dbraw/zinc/56/47/37/944564737.db2.gz IENNXEXXFWUIBR-KNQAVFIVSA-N 1 0 411.502 4.378 20 5 HIBDRO CCOc1ccc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000564521183 945649563 /nfs/dbraw/zinc/64/95/63/945649563.db2.gz PZIJNFTZNGIORH-LJQANCHMSA-N 1 0 411.502 4.026 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000565746359 945878993 /nfs/dbraw/zinc/87/89/93/945878993.db2.gz WUMVNSGIRIKROE-UHFFFAOYSA-N 1 0 421.238 4.013 20 5 HIBDRO CSc1ccc([C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000565856050 945895548 /nfs/dbraw/zinc/89/55/48/945895548.db2.gz XHDXSCKSIYWKMI-QGZVFWFLSA-N 1 0 405.545 4.071 20 5 HIBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000566567148 946041860 /nfs/dbraw/zinc/04/18/60/946041860.db2.gz VZNFLPNMLZKHDB-HSZRJFAPSA-N 1 0 414.502 4.167 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000566878891 946145277 /nfs/dbraw/zinc/14/52/77/946145277.db2.gz YFLNQPIDMMZTOC-INIZCTEOSA-N 1 0 406.442 4.380 20 5 HIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567429121 946336482 /nfs/dbraw/zinc/33/64/82/946336482.db2.gz WVDLFMXERFCYTJ-HNNXBMFYSA-N 1 0 416.909 4.132 20 5 HIBDRO C[C@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000568699586 946666365 /nfs/dbraw/zinc/66/63/65/946666365.db2.gz MTMHGSYGNSWYAJ-SCLBCKFNSA-N 1 0 409.408 4.136 20 5 HIBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC000569286308 946849662 /nfs/dbraw/zinc/84/96/62/946849662.db2.gz SYOFOEXWLGDSMG-CTNGQTDRSA-N 1 0 407.470 4.390 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000571147024 947527882 /nfs/dbraw/zinc/52/78/82/947527882.db2.gz ZFONJCVAGVTJPF-FQEVSTJZSA-N 1 0 421.501 4.035 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000573018460 948059619 /nfs/dbraw/zinc/05/96/19/948059619.db2.gz OZDIICSMEWMHHA-QYZOEREBSA-N 1 0 404.413 4.201 20 5 HIBDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000574144170 948375518 /nfs/dbraw/zinc/37/55/18/948375518.db2.gz XEHGAADUNHSZOI-CQSZACIVSA-N 1 0 408.545 4.331 20 5 HIBDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000575636627 948687018 /nfs/dbraw/zinc/68/70/18/948687018.db2.gz LXBFDJWENJUUAE-HNNXBMFYSA-N 1 0 423.435 4.308 20 5 HIBDRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000575769710 948698517 /nfs/dbraw/zinc/69/85/17/948698517.db2.gz JMQNDPHKQQTOGY-JMUQELJHSA-N 1 0 419.529 4.060 20 5 HIBDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967010 948804250 /nfs/dbraw/zinc/80/42/50/948804250.db2.gz NRHZUUXQKYJOOO-KDOFPFPSSA-N 1 0 421.419 4.108 20 5 HIBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164619779 719069486 /nfs/dbraw/zinc/06/94/86/719069486.db2.gz COPRVYAQLBJOTO-OXJNMPFZSA-N 1 0 423.904 4.292 20 5 HIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164795083 721497927 /nfs/dbraw/zinc/49/79/27/721497927.db2.gz CTSDQFIHBUBQCH-UHFFFAOYSA-N 1 0 417.513 4.419 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001165027766 721818263 /nfs/dbraw/zinc/81/82/63/721818263.db2.gz VWSMHDJHBOELSB-KAGYGMCKSA-N 1 0 417.513 4.275 20 5 HIBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCCC2)cc1 ZINC000006330317 845191504 /nfs/dbraw/zinc/19/15/04/845191504.db2.gz HQXKPHXKKNGKIC-FQEVSTJZSA-N 1 0 417.893 4.214 20 5 HIBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436237282 861545761 /nfs/dbraw/zinc/54/57/61/861545761.db2.gz IJCNTKOLCGDDDR-UHFFFAOYSA-N 1 0 417.484 4.024 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007257668 845297680 /nfs/dbraw/zinc/29/76/80/845297680.db2.gz AFDDIFMANRGCIR-UHFFFAOYSA-N 1 0 408.502 4.085 20 5 HIBDRO O=C([C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000436304256 861610084 /nfs/dbraw/zinc/61/00/84/861610084.db2.gz YCBADFVDKVLNNK-FUPPJEDESA-N 1 0 407.514 4.455 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000436314019 861618142 /nfs/dbraw/zinc/61/81/42/861618142.db2.gz QSEMDMVSCBRSIM-KBPBESRZSA-N 1 0 424.423 4.230 20 5 HIBDRO O=[N+]([O-])c1ccc(NC(=S)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000023340470 846686596 /nfs/dbraw/zinc/68/65/96/846686596.db2.gz OWRFCCATROXXBM-UHFFFAOYSA-N 1 0 406.511 4.263 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1NCCCOC1CC[NH+](Cc3ccccc3)CC1)CCN2 ZINC000436385020 861728086 /nfs/dbraw/zinc/72/80/86/861728086.db2.gz FCGRKNHRTVKRMO-UHFFFAOYSA-N 1 0 410.518 4.046 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000026224892 847106236 /nfs/dbraw/zinc/10/62/36/847106236.db2.gz KRXMFJDLJMYBEP-UHFFFAOYSA-N 1 0 406.280 4.126 20 5 HIBDRO COc1ccc2cc(C[N@H+](C)CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)ccc2c1 ZINC000026259864 847116826 /nfs/dbraw/zinc/11/68/26/847116826.db2.gz ULUAVKUTBRMJHK-UHFFFAOYSA-N 1 0 423.469 4.226 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027209595 847266167 /nfs/dbraw/zinc/26/61/67/847266167.db2.gz PMEOFYRHQLPRQV-RBBKRZOGSA-N 1 0 412.873 4.367 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027209589 847266968 /nfs/dbraw/zinc/26/69/68/847266968.db2.gz PMEOFYRHQLPRQV-UNMCSNQZSA-N 1 0 412.873 4.367 20 5 HIBDRO O=[N+]([O-])c1c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2sccn21 ZINC000029161574 847516772 /nfs/dbraw/zinc/51/67/72/847516772.db2.gz WKHAUIHJRJKENG-UHFFFAOYSA-N 1 0 419.510 4.216 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031987782 847975699 /nfs/dbraw/zinc/97/56/99/847975699.db2.gz CFOAPKKCINSPSI-FQEVSTJZSA-N 1 0 416.547 4.069 20 5 HIBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032761970 848072720 /nfs/dbraw/zinc/07/27/20/848072720.db2.gz AGHGTIDHCBLOGT-HNNXBMFYSA-N 1 0 401.513 4.438 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000043301762 848406310 /nfs/dbraw/zinc/40/63/10/848406310.db2.gz ZABTUUIMARDGDA-HUUCEWRRSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000043302839 848406627 /nfs/dbraw/zinc/40/66/27/848406627.db2.gz CSIXARBAHHCQIG-NEPJUHHUSA-N 1 0 411.380 4.300 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000045874041 848745549 /nfs/dbraw/zinc/74/55/49/848745549.db2.gz GXCSLHNJMITSLY-JXFKEZNVSA-N 1 0 401.532 4.275 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000046818073 848941632 /nfs/dbraw/zinc/94/16/32/848941632.db2.gz KIFUJDQAGXMCDW-QWHCGFSZSA-N 1 0 411.380 4.480 20 5 HIBDRO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132337 849434696 /nfs/dbraw/zinc/43/46/96/849434696.db2.gz ZIBAIEWDGFBXLQ-GHTZIAJQSA-N 1 0 408.458 4.245 20 5 HIBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133768 849435570 /nfs/dbraw/zinc/43/55/70/849435570.db2.gz DQUFYSHJACKIST-IIBYNOLFSA-N 1 0 417.893 4.286 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000053417329 849706080 /nfs/dbraw/zinc/70/60/80/849706080.db2.gz YNJPQMWYMZCWDV-WOJBJXKFSA-N 1 0 419.569 4.029 20 5 HIBDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056161822 850264130 /nfs/dbraw/zinc/26/41/30/850264130.db2.gz OFKKFIMKGKQPMO-HOTGVXAUSA-N 1 0 415.490 4.378 20 5 HIBDRO COc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000059410586 851005496 /nfs/dbraw/zinc/00/54/96/851005496.db2.gz UQZLZWYBQLDWFK-IAGOWNOFSA-N 1 0 411.502 4.011 20 5 HIBDRO COc1cccc(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 ZINC000061012821 851272182 /nfs/dbraw/zinc/27/21/82/851272182.db2.gz ZAALBKTZSLRASR-UHFFFAOYSA-N 1 0 408.454 4.481 20 5 HIBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000061231798 851324425 /nfs/dbraw/zinc/32/44/25/851324425.db2.gz RHCUWMBXGMOSFT-HDICACEKSA-N 1 0 424.545 4.069 20 5 HIBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000064448229 851900531 /nfs/dbraw/zinc/90/05/31/851900531.db2.gz FIKKHMOPQIAOHX-UHFFFAOYSA-N 1 0 421.419 4.350 20 5 HIBDRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000064631580 851943596 /nfs/dbraw/zinc/94/35/96/851943596.db2.gz OUJZTJNIZQDNNW-UHFFFAOYSA-N 1 0 411.502 4.392 20 5 HIBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000064918965 852022894 /nfs/dbraw/zinc/02/28/94/852022894.db2.gz TZWJRHCGHBIYOI-GOSISDBHSA-N 1 0 420.494 4.343 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000065121648 852070640 /nfs/dbraw/zinc/07/06/40/852070640.db2.gz VXZHQAHIHCKRQA-HNNXBMFYSA-N 1 0 415.437 4.488 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000065121943 852071813 /nfs/dbraw/zinc/07/18/13/852071813.db2.gz YSGBXUHNWNQGQA-IBGZPJMESA-N 1 0 423.435 4.355 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000069250488 852388557 /nfs/dbraw/zinc/38/85/57/852388557.db2.gz PJPFTHXJHKIBFB-QFIPXVFZSA-N 1 0 410.518 4.008 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109484338 852975790 /nfs/dbraw/zinc/97/57/90/852975790.db2.gz IPGGLOFZSGBVQB-OAHLLOKOSA-N 1 0 417.556 4.263 20 5 HIBDRO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000109531734 852980565 /nfs/dbraw/zinc/98/05/65/852980565.db2.gz YDYXMPGMYZNZGA-GOSISDBHSA-N 1 0 411.355 4.127 20 5 HIBDRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000109890198 853029869 /nfs/dbraw/zinc/02/98/69/853029869.db2.gz RBPRSAWVWQADIQ-HXUWFJFHSA-N 1 0 412.877 4.296 20 5 HIBDRO CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000138954463 853400478 /nfs/dbraw/zinc/40/04/78/853400478.db2.gz GAILCHCVGAEJQQ-UHFFFAOYSA-N 1 0 415.515 4.103 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000140911513 853456229 /nfs/dbraw/zinc/45/62/29/853456229.db2.gz DWCVGCQZGHVJMW-KRWDZBQOSA-N 1 0 413.543 4.104 20 5 HIBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000150249295 853641992 /nfs/dbraw/zinc/64/19/92/853641992.db2.gz KZKXAODURTUKMT-FQEVSTJZSA-N 1 0 413.474 4.086 20 5 HIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000236679195 853910554 /nfs/dbraw/zinc/91/05/54/853910554.db2.gz NHITZMOGHXWWJH-UHFFFAOYSA-N 1 0 405.292 4.195 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237000869 853949036 /nfs/dbraw/zinc/94/90/36/853949036.db2.gz HQDLAIHZDWWFLE-VQIMIIECSA-N 1 0 416.522 4.246 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237021602 853952517 /nfs/dbraw/zinc/95/25/17/853952517.db2.gz HQDLAIHZDWWFLE-LPHOPBHVSA-N 1 0 416.522 4.246 20 5 HIBDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237026342 853953615 /nfs/dbraw/zinc/95/36/15/853953615.db2.gz JYSFHDXOBGFDFE-IBGZPJMESA-N 1 0 409.511 4.112 20 5 HIBDRO CN(C)C(=O)C1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCC1 ZINC000237128334 853968888 /nfs/dbraw/zinc/96/88/88/853968888.db2.gz YVZDOZYTSBIUST-UHFFFAOYSA-N 1 0 415.465 4.264 20 5 HIBDRO CN(CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(F)cc1 ZINC000237167060 853975454 /nfs/dbraw/zinc/97/54/54/853975454.db2.gz LHDSYJSOTLRLRP-UHFFFAOYSA-N 1 0 400.479 4.079 20 5 HIBDRO COc1cc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237194432 853979408 /nfs/dbraw/zinc/97/94/08/853979408.db2.gz LWJFWLRTUXOPKH-UXHICEINSA-N 1 0 413.518 4.145 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1OCc1c(C)noc1C ZINC000237202477 853981274 /nfs/dbraw/zinc/98/12/74/853981274.db2.gz CDDJJQVUEWHXSF-UHFFFAOYSA-N 1 0 411.458 4.120 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237230077 853986810 /nfs/dbraw/zinc/98/68/10/853986810.db2.gz BJHSTHQTRQVTOS-UHFFFAOYSA-N 1 0 412.417 4.317 20 5 HIBDRO COc1cc(C[NH2+]CCOc2ccccc2-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000237403345 854024367 /nfs/dbraw/zinc/02/43/67/854024367.db2.gz RQJSHYYORKDBHP-UHFFFAOYSA-N 1 0 408.454 4.448 20 5 HIBDRO C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[N@H+](C)C1CC1 ZINC000237409430 854025500 /nfs/dbraw/zinc/02/55/00/854025500.db2.gz YIUQVNRBZMNQEB-LBPRGKRZSA-N 1 0 408.296 4.190 20 5 HIBDRO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237456567 854036877 /nfs/dbraw/zinc/03/68/77/854036877.db2.gz NAJDZOXMYJHODT-GOSISDBHSA-N 1 0 419.529 4.311 20 5 HIBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237478648 854042116 /nfs/dbraw/zinc/04/21/16/854042116.db2.gz PLPDVLBBJFODNO-GGAORHGYSA-N 1 0 406.486 4.088 20 5 HIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CN1C1CC1 ZINC000237484962 854043472 /nfs/dbraw/zinc/04/34/72/854043472.db2.gz OSVJLQDEMWFHJC-CHWSQXEVSA-N 1 0 420.307 4.332 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000237542422 854052499 /nfs/dbraw/zinc/05/24/99/854052499.db2.gz RWSUGOOEPMBLBS-UHFFFAOYSA-N 1 0 415.453 4.141 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000237557049 854054519 /nfs/dbraw/zinc/05/45/19/854054519.db2.gz LKDQKCHWQXGWAM-ZDUSSCGKSA-N 1 0 405.882 4.433 20 5 HIBDRO Cc1noc(C)c1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237604651 854060659 /nfs/dbraw/zinc/06/06/59/854060659.db2.gz JOWVPXMXAZZDEU-UHFFFAOYSA-N 1 0 417.469 4.385 20 5 HIBDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237713324 854080668 /nfs/dbraw/zinc/08/06/68/854080668.db2.gz XFVGHCRQZZFLOA-UHFFFAOYSA-N 1 0 416.485 4.088 20 5 HIBDRO NC(=O)c1ccc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 ZINC000237747412 854087503 /nfs/dbraw/zinc/08/75/03/854087503.db2.gz PUNLRPRMSVBTPK-UHFFFAOYSA-N 1 0 411.845 4.429 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000237773100 854093698 /nfs/dbraw/zinc/09/36/98/854093698.db2.gz MWSJDOOFKMVJKJ-SFHVURJKSA-N 1 0 406.866 4.326 20 5 HIBDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237856431 854109405 /nfs/dbraw/zinc/10/94/05/854109405.db2.gz QCDDRQJDECVTOX-UHFFFAOYSA-N 1 0 416.485 4.088 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]Cc3cccc(C(N)=O)c3)cc2[N+](=O)[O-])cc1 ZINC000237873292 854112879 /nfs/dbraw/zinc/11/28/79/854112879.db2.gz COZFXTATSJEPSG-UHFFFAOYSA-N 1 0 407.495 4.443 20 5 HIBDRO Cn1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237917681 854119106 /nfs/dbraw/zinc/11/91/06/854119106.db2.gz XPCOFVLROSFUTE-UHFFFAOYSA-N 1 0 420.391 4.183 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931413 854120761 /nfs/dbraw/zinc/12/07/61/854120761.db2.gz CPKDFDVZPUIOSH-UHFFFAOYSA-N 1 0 401.264 4.048 20 5 HIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000237933219 854121660 /nfs/dbraw/zinc/12/16/60/854121660.db2.gz FGADPHLSDNMZDW-UHFFFAOYSA-N 1 0 413.481 4.234 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000301389093 854379811 /nfs/dbraw/zinc/37/98/11/854379811.db2.gz ZCADISCKBXRKGJ-KRWDZBQOSA-N 1 0 424.501 4.395 20 5 HIBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000301509154 854409651 /nfs/dbraw/zinc/40/96/51/854409651.db2.gz ASASWUMNQBYCSW-DZGCQCFKSA-N 1 0 405.296 4.217 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)[C@@H]1c1cccs1 ZINC000301523908 854412482 /nfs/dbraw/zinc/41/24/82/854412482.db2.gz IDFKZTQHGGECDA-XHDPSFHLSA-N 1 0 411.325 4.309 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301577050 854423479 /nfs/dbraw/zinc/42/34/79/854423479.db2.gz ZAAZHTYCVQUGBN-UHFFFAOYSA-N 1 0 405.296 4.137 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301679946 854443909 /nfs/dbraw/zinc/44/39/09/854443909.db2.gz SHTIZIVVBXDLIU-CQSZACIVSA-N 1 0 411.344 4.233 20 5 HIBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301687300 854445152 /nfs/dbraw/zinc/44/51/52/854445152.db2.gz MGDUKLBUQVRRNB-GFCCVEGCSA-N 1 0 411.325 4.138 20 5 HIBDRO O=C(c1ccccc1)c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301753786 854459397 /nfs/dbraw/zinc/45/93/97/854459397.db2.gz CAPZKXNJWAARRK-CTNGQTDRSA-N 1 0 405.498 4.279 20 5 HIBDRO COc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000301911153 854490770 /nfs/dbraw/zinc/49/07/70/854490770.db2.gz GLHSHIGTOOIRQP-UHFFFAOYSA-N 1 0 405.882 4.342 20 5 HIBDRO Cc1cc(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302094722 854530151 /nfs/dbraw/zinc/53/01/51/854530151.db2.gz RJRGZKKLOFQODN-SFHVURJKSA-N 1 0 404.470 4.097 20 5 HIBDRO Cc1cc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302135133 854535063 /nfs/dbraw/zinc/53/50/63/854535063.db2.gz CYBAGARZVLYFQL-OAHLLOKOSA-N 1 0 400.479 4.193 20 5 HIBDRO Cc1cc(N2CCC(NC(=O)NC3CCCCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302145357 854537390 /nfs/dbraw/zinc/53/73/90/854537390.db2.gz GLJRZLWYOHWOBQ-UHFFFAOYSA-N 1 0 411.506 4.052 20 5 HIBDRO Cc1cccc(C(=O)N2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000302199756 854549007 /nfs/dbraw/zinc/54/90/07/854549007.db2.gz USNRBAHLUSKSQM-UHFFFAOYSA-N 1 0 404.470 4.112 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000303046284 854736895 /nfs/dbraw/zinc/73/68/95/854736895.db2.gz QSXCTGUWNYTDAO-IBGZPJMESA-N 1 0 407.392 4.296 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCCO)[C@@H]3CCc4ccccc43)o2)c1 ZINC000303540047 855025566 /nfs/dbraw/zinc/02/55/66/855025566.db2.gz HRVKSHGTYAHLBT-OAQYLSRUSA-N 1 0 407.470 4.164 20 5 HIBDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000303540322 855025854 /nfs/dbraw/zinc/02/58/54/855025854.db2.gz JLPFYAHVTDTWMK-GOSISDBHSA-N 1 0 421.501 4.004 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000303652639 855107069 /nfs/dbraw/zinc/10/70/69/855107069.db2.gz XJISCAUNHUBHMD-UHFFFAOYSA-N 1 0 419.569 4.125 20 5 HIBDRO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000303788744 855198614 /nfs/dbraw/zinc/19/86/14/855198614.db2.gz UPHQNUJRUCUYJK-FXAWDEMLSA-N 1 0 411.502 4.119 20 5 HIBDRO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(-c2ccccc2)cc1OC ZINC000425997424 856037901 /nfs/dbraw/zinc/03/79/01/856037901.db2.gz XIYWLAGAMNLJAU-UHFFFAOYSA-N 1 0 422.485 4.313 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000426033658 856060852 /nfs/dbraw/zinc/06/08/52/856060852.db2.gz FTRVJKUXJMAUCU-QZTJIDSGSA-N 1 0 402.539 4.027 20 5 HIBDRO Cc1c(Cc2noc([C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000426461731 856302538 /nfs/dbraw/zinc/30/25/38/856302538.db2.gz SZUVJLGDSIGBME-ZIAGYGMSSA-N 1 0 412.412 4.253 20 5 HIBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000426563938 856350756 /nfs/dbraw/zinc/35/07/56/856350756.db2.gz ZNHVVRFDCFFMCW-INIZCTEOSA-N 1 0 401.532 4.008 20 5 HIBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000426800295 856485941 /nfs/dbraw/zinc/48/59/41/856485941.db2.gz NFKNPDPLCLIMQA-HXUWFJFHSA-N 1 0 423.513 4.122 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000427605811 856886107 /nfs/dbraw/zinc/88/61/07/856886107.db2.gz DGFNDIKWRVCYDZ-UHFFFAOYSA-N 1 0 415.515 4.066 20 5 HIBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000428459546 857210181 /nfs/dbraw/zinc/21/01/81/857210181.db2.gz MMBKOYQIBZANHQ-HSZRJFAPSA-N 1 0 414.502 4.167 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000428730265 857311748 /nfs/dbraw/zinc/31/17/48/857311748.db2.gz WKDGYPXFXSYCDG-UHFFFAOYSA-N 1 0 415.465 4.259 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000429198036 857549618 /nfs/dbraw/zinc/54/96/18/857549618.db2.gz MBOUSNBXGJLYMM-UHFFFAOYSA-N 1 0 410.301 4.470 20 5 HIBDRO Cc1c(NC(=O)CC[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000429722769 857851340 /nfs/dbraw/zinc/85/13/40/857851340.db2.gz LXQYBHLETWFVPN-UHFFFAOYSA-N 1 0 415.465 4.052 20 5 HIBDRO CC(C)(C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000429895710 857931879 /nfs/dbraw/zinc/93/18/79/857931879.db2.gz MTGWOKSRVRVKRS-UHFFFAOYSA-N 1 0 422.529 4.043 20 5 HIBDRO CCn1c2ccccc2nc1[C@@H]1CCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000437640906 862969134 /nfs/dbraw/zinc/96/91/34/862969134.db2.gz NYORVMFBSYPWFG-IBGZPJMESA-N 1 0 410.474 4.189 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430639460 858244903 /nfs/dbraw/zinc/24/49/03/858244903.db2.gz FRJCNZPGDUDHGK-ZIFCJYIRSA-N 1 0 413.543 4.245 20 5 HIBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000431028721 858409507 /nfs/dbraw/zinc/40/95/07/858409507.db2.gz SXLRRVXHVBVDOH-HNNXBMFYSA-N 1 0 424.339 4.086 20 5 HIBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000431930593 858875797 /nfs/dbraw/zinc/87/57/97/858875797.db2.gz HXMNSEDJSNADEH-OAHLLOKOSA-N 1 0 424.339 4.086 20 5 HIBDRO COc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432798667 859366438 /nfs/dbraw/zinc/36/64/38/859366438.db2.gz RBCKBFOYWONHFT-FQEVSTJZSA-N 1 0 413.518 4.099 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434622289 860436224 /nfs/dbraw/zinc/43/62/24/860436224.db2.gz CLKKINWHPUVWJR-NRFANRHFSA-N 1 0 403.454 4.400 20 5 HIBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435290142 860721439 /nfs/dbraw/zinc/72/14/39/860721439.db2.gz JWUSNPZIPXMMCT-IBGZPJMESA-N 1 0 419.485 4.107 20 5 HIBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435325425 860736703 /nfs/dbraw/zinc/73/67/03/860736703.db2.gz AEXICWZPEXMPOE-UHFFFAOYSA-N 1 0 413.316 4.004 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC000437926145 863302896 /nfs/dbraw/zinc/30/28/96/863302896.db2.gz MBKJIFLHAOMSSP-HXUWFJFHSA-N 1 0 416.547 4.413 20 5 HIBDRO C[C@@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000467842387 881683840 /nfs/dbraw/zinc/68/38/40/881683840.db2.gz QXHRLDWOROMFCQ-QRWLVFNGSA-N 1 0 423.435 4.338 20 5 HIBDRO Cc1c(CC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000438904829 864384494 /nfs/dbraw/zinc/38/44/94/864384494.db2.gz VFFFOOVDIDINCX-LJQANCHMSA-N 1 0 401.532 4.097 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000438909364 864389287 /nfs/dbraw/zinc/38/92/87/864389287.db2.gz CSFMLJPBCNJBBE-YPAWHYETSA-N 1 0 404.470 4.105 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000438932970 864411012 /nfs/dbraw/zinc/41/10/12/864411012.db2.gz DIEFWGVYVAYHBW-UHFFFAOYSA-N 1 0 416.909 4.330 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000439629547 864955104 /nfs/dbraw/zinc/95/51/04/864955104.db2.gz AINXZHULPVOINC-BRKWEVRTSA-N 1 0 423.513 4.376 20 5 HIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000467998158 881841677 /nfs/dbraw/zinc/84/16/77/881841677.db2.gz KPSMMAMWFCILBM-UHFFFAOYSA-N 1 0 404.392 4.191 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000439911735 865219430 /nfs/dbraw/zinc/21/94/30/865219430.db2.gz JHWOEGSTZWAQDJ-OAHLLOKOSA-N 1 0 418.519 4.089 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000439910597 865219564 /nfs/dbraw/zinc/21/95/64/865219564.db2.gz HVWKGINBKJWLFF-DLBZAZTESA-N 1 0 404.511 4.112 20 5 HIBDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468035973 881866422 /nfs/dbraw/zinc/86/64/22/881866422.db2.gz BJFJEDOFMJSSRU-ZDUSSCGKSA-N 1 0 410.301 4.428 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000440531592 865805824 /nfs/dbraw/zinc/80/58/24/865805824.db2.gz JUQGQWCVOSTKRT-GOSISDBHSA-N 1 0 407.470 4.325 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000441206399 866275548 /nfs/dbraw/zinc/27/55/48/866275548.db2.gz VUCDUBZWCIIYLA-UHFFFAOYSA-N 1 0 423.391 4.358 20 5 HIBDRO C[C@@H](OC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441257025 866331092 /nfs/dbraw/zinc/33/10/92/866331092.db2.gz ANMSANZZOVISGC-QRWLVFNGSA-N 1 0 404.894 4.351 20 5 HIBDRO CCCN(C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441430553 866508241 /nfs/dbraw/zinc/50/82/41/866508241.db2.gz AHKMCWVLUJSBTA-UHFFFAOYSA-N 1 0 410.518 4.182 20 5 HIBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442673210 867608386 /nfs/dbraw/zinc/60/83/86/867608386.db2.gz QPMZFEJCJQRQIA-QGZVFWFLSA-N 1 0 413.543 4.454 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000442727530 867650637 /nfs/dbraw/zinc/65/06/37/867650637.db2.gz FWIZHVSCEKTYMV-MNOVXSKESA-N 1 0 412.309 4.405 20 5 HIBDRO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073740 867811576 /nfs/dbraw/zinc/81/15/76/867811576.db2.gz WRPQCPSOYGPNCS-OXJNMPFZSA-N 1 0 400.475 4.182 20 5 HIBDRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000468238935 882135438 /nfs/dbraw/zinc/13/54/38/882135438.db2.gz ZLYCCUSPIKPVRX-JKSUJKDBSA-N 1 0 404.536 4.028 20 5 HIBDRO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000443589581 868144427 /nfs/dbraw/zinc/14/44/27/868144427.db2.gz GTABCMJLSWOWPJ-KRWDZBQOSA-N 1 0 424.892 4.095 20 5 HIBDRO COc1ccc([C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000443945948 868482311 /nfs/dbraw/zinc/48/23/11/868482311.db2.gz KTUDKMKTZWRIHZ-FQEVSTJZSA-N 1 0 412.490 4.179 20 5 HIBDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444628389 868919460 /nfs/dbraw/zinc/91/94/60/868919460.db2.gz STGBMGZWRBYMPB-UHFFFAOYSA-N 1 0 408.437 4.065 20 5 HIBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2)c1 ZINC000444712687 868969903 /nfs/dbraw/zinc/96/99/03/868969903.db2.gz WRZGEDJGXNAOHH-SFHVURJKSA-N 1 0 419.481 4.487 20 5 HIBDRO CC(C)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+]1CCC(C)CC1 ZINC000444863789 869064682 /nfs/dbraw/zinc/06/46/82/869064682.db2.gz ZPIXEQATHDLPQS-QFIPXVFZSA-N 1 0 405.542 4.168 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000444895231 869083366 /nfs/dbraw/zinc/08/33/66/869083366.db2.gz KAVZBRBWXHHHFS-WMZOPIPTSA-N 1 0 412.490 4.120 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177248 869260439 /nfs/dbraw/zinc/26/04/39/869260439.db2.gz GNWYDPPYKXSMDX-IEBWSBKVSA-N 1 0 411.505 4.247 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445185523 869265345 /nfs/dbraw/zinc/26/53/45/869265345.db2.gz QFLKUMQHDUISJN-IAGOWNOFSA-N 1 0 405.542 4.168 20 5 HIBDRO CSc1cccc(N(C(=O)CCc2cccc([N+](=O)[O-])c2)C2CC[NH+](C)CC2)c1 ZINC000445802878 869831444 /nfs/dbraw/zinc/83/14/44/869831444.db2.gz OVSDTYROJWVJHA-UHFFFAOYSA-N 1 0 413.543 4.377 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000445831804 869850678 /nfs/dbraw/zinc/85/06/78/869850678.db2.gz HKVPPYIYQSKJLH-FQEVSTJZSA-N 1 0 401.894 4.134 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)c(F)c1 ZINC000446837604 870754839 /nfs/dbraw/zinc/75/48/39/870754839.db2.gz YMTUFRBZIQKYBP-UHFFFAOYSA-N 1 0 414.355 4.428 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCCC23CCC3)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000446839897 870758428 /nfs/dbraw/zinc/75/84/28/870758428.db2.gz VUXLPGVOOWVWOQ-UHFFFAOYSA-N 1 0 414.506 4.096 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000446974329 870872495 /nfs/dbraw/zinc/87/24/95/870872495.db2.gz ICBZJBXIABJMLM-GQIGUUNPSA-N 1 0 422.447 4.164 20 5 HIBDRO C[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000447031812 870906949 /nfs/dbraw/zinc/90/69/49/870906949.db2.gz UAGQJJYISMMJGQ-CYBMUJFWSA-N 1 0 401.264 4.394 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000447529260 871393188 /nfs/dbraw/zinc/39/31/88/871393188.db2.gz LABULNAASSFEGD-OALUTQOASA-N 1 0 418.925 4.266 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)n1 ZINC000447537457 871399006 /nfs/dbraw/zinc/39/90/06/871399006.db2.gz WBWYNQFEGOWSTK-VQTJNVASSA-N 1 0 411.437 4.391 20 5 HIBDRO CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000447535287 871399576 /nfs/dbraw/zinc/39/95/76/871399576.db2.gz DZJZHMRBGQKKNR-WOCWXWTJSA-N 1 0 403.552 4.009 20 5 HIBDRO CCOc1c(Cl)cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447537736 871405395 /nfs/dbraw/zinc/40/53/95/871405395.db2.gz YGTKEZAMYVUIKA-HOTGVXAUSA-N 1 0 408.886 4.126 20 5 HIBDRO C[C@H]([NH2+]C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1)c1ccccc1 ZINC000447545203 871411719 /nfs/dbraw/zinc/41/17/19/871411719.db2.gz WOZFVVXQCHYNSB-FDDCHVKYSA-N 1 0 409.530 4.462 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(COCC(F)(F)F)c2)n1 ZINC000447582872 871485443 /nfs/dbraw/zinc/48/54/43/871485443.db2.gz ACIJAWJRIUPGPC-DLBZAZTESA-N 1 0 412.412 4.144 20 5 HIBDRO CN1CCO[C@H]([C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000447585994 871494248 /nfs/dbraw/zinc/49/42/48/871494248.db2.gz MDYHRBWYVZQMFA-FKBYEOEOSA-N 1 0 415.921 4.287 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000468560162 882614508 /nfs/dbraw/zinc/61/45/08/882614508.db2.gz MCLVKQGXMSPHQM-INIZCTEOSA-N 1 0 424.526 4.092 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000460681661 873431141 /nfs/dbraw/zinc/43/11/41/873431141.db2.gz XMKRZEPQTRFTMM-UHFFFAOYSA-N 1 0 403.482 4.182 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000468652798 882789119 /nfs/dbraw/zinc/78/91/19/882789119.db2.gz SKOFYKXHLWXTHH-YKRMCXMESA-N 1 0 409.530 4.488 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000468654442 882790017 /nfs/dbraw/zinc/79/00/17/882790017.db2.gz XTODGXCLZHOKNQ-ATVHPVEESA-N 1 0 402.454 4.435 20 5 HIBDRO COCC[C@H]1CCCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000468697519 882818860 /nfs/dbraw/zinc/81/88/60/882818860.db2.gz SZBOMPXDDZNNLN-CQSZACIVSA-N 1 0 420.428 4.183 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461438637 874491404 /nfs/dbraw/zinc/49/14/04/874491404.db2.gz YZBPPYCKGFFJDA-VJBWXMMDSA-N 1 0 421.541 4.144 20 5 HIBDRO O=C(c1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000461443354 874499162 /nfs/dbraw/zinc/49/91/62/874499162.db2.gz AHNOHEJOYXXGLQ-OAQYLSRUSA-N 1 0 408.502 4.080 20 5 HIBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cccc21 ZINC000468755822 882844908 /nfs/dbraw/zinc/84/49/08/882844908.db2.gz AKDFVRGMLRQCPH-INIZCTEOSA-N 1 0 409.364 4.251 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000462755172 875819689 /nfs/dbraw/zinc/81/96/89/875819689.db2.gz LBNYPWAXJLZXOY-UCNVEGJOSA-N 1 0 417.465 4.101 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000462983981 875997831 /nfs/dbraw/zinc/99/78/31/875997831.db2.gz BFJCSJYPYOYHFM-GMAHTHKFSA-N 1 0 424.545 4.072 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000462991200 876005752 /nfs/dbraw/zinc/00/57/52/876005752.db2.gz UISSVTHXYGFKEW-DENIHFKCSA-N 1 0 409.530 4.287 20 5 HIBDRO Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000463084390 876116302 /nfs/dbraw/zinc/11/63/02/876116302.db2.gz ABYNGGLRFAMGIB-SFHVURJKSA-N 1 0 408.506 4.005 20 5 HIBDRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463520744 876588264 /nfs/dbraw/zinc/58/82/64/876588264.db2.gz VYRAYHJQPFXXQN-QGZVFWFLSA-N 1 0 421.419 4.398 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000463957860 877081734 /nfs/dbraw/zinc/08/17/34/877081734.db2.gz HNHSHMLJVZFZGU-MRXNPFEDSA-N 1 0 402.520 4.307 20 5 HIBDRO CC[NH+](CC)[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464646780 877866141 /nfs/dbraw/zinc/86/61/41/877866141.db2.gz ZEIVSFOAYZPPHX-QFIPXVFZSA-N 1 0 411.502 4.048 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738689 877973900 /nfs/dbraw/zinc/97/39/00/877973900.db2.gz SZJNSCXXFKFKCG-GJZGRUSLSA-N 1 0 401.429 4.169 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000464824836 878078048 /nfs/dbraw/zinc/07/80/48/878078048.db2.gz BLRGHXFKHFTSGT-NRFANRHFSA-N 1 0 409.486 4.086 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000503455870 912480179 /nfs/dbraw/zinc/48/01/79/912480179.db2.gz AKBZTKGHNMZTEO-IBGZPJMESA-N 1 0 423.469 4.173 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000466020354 879704995 /nfs/dbraw/zinc/70/49/95/879704995.db2.gz YKOQSNJDXQNSEI-UHFFFAOYSA-N 1 0 408.458 4.450 20 5 HIBDRO Cc1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1NC(=O)CC[NH+](C)C ZINC000466451322 880230074 /nfs/dbraw/zinc/23/00/74/880230074.db2.gz HVYDZBBCQCIEMS-UHFFFAOYSA-N 1 0 422.432 4.007 20 5 HIBDRO C[NH+]1CCC(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000466601890 880372079 /nfs/dbraw/zinc/37/20/79/880372079.db2.gz TUKHQRGXQHCYEH-UHFFFAOYSA-N 1 0 405.907 4.223 20 5 HIBDRO O=C1c2ccccc2CCN1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000466908671 880676413 /nfs/dbraw/zinc/67/64/13/880676413.db2.gz DOZNJHIOMODDPA-UHFFFAOYSA-N 1 0 407.495 4.111 20 5 HIBDRO C[N@H+](C[C@H]1CCCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140687 880883259 /nfs/dbraw/zinc/88/32/59/880883259.db2.gz ZBEYYJYRWZCJLN-FOIQADDNSA-N 1 0 417.893 4.286 20 5 HIBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000467236215 880962175 /nfs/dbraw/zinc/96/21/75/880962175.db2.gz DOYLCDDDLRPQAB-UHFFFAOYSA-N 1 0 402.882 4.377 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000467450307 881253513 /nfs/dbraw/zinc/25/35/13/881253513.db2.gz UTZYZIDNSFGQAN-YOEHRIQHSA-N 1 0 409.408 4.432 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469455471 883662609 /nfs/dbraw/zinc/66/26/09/883662609.db2.gz VSAGBSAHWZZOPS-QGZVFWFLSA-N 1 0 410.396 4.346 20 5 HIBDRO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccc(C(F)(F)F)c1 ZINC000469561531 883815324 /nfs/dbraw/zinc/81/53/24/883815324.db2.gz CPBFWUBQRQUBQG-GOSISDBHSA-N 1 0 422.407 4.213 20 5 HIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000469771925 883947584 /nfs/dbraw/zinc/94/75/84/883947584.db2.gz HMOLHAFEPFFNQN-SUMWQHHRSA-N 1 0 404.479 4.401 20 5 HIBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000470134116 884399069 /nfs/dbraw/zinc/39/90/69/884399069.db2.gz QZQSDNBABNQFOP-UHFFFAOYSA-N 1 0 412.465 4.254 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000470184398 884473623 /nfs/dbraw/zinc/47/36/23/884473623.db2.gz SCMSZEHMHPTJHA-SDXDJHTJSA-N 1 0 405.498 4.299 20 5 HIBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000470217853 884545576 /nfs/dbraw/zinc/54/55/76/884545576.db2.gz BBWWAJUAHABJGT-HXUWFJFHSA-N 1 0 422.529 4.011 20 5 HIBDRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000503933609 912870363 /nfs/dbraw/zinc/87/03/63/912870363.db2.gz XFHWGUYKPRIGKG-MJGOQNOKSA-N 1 0 406.486 4.352 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470601608 885027582 /nfs/dbraw/zinc/02/75/82/885027582.db2.gz PWALXVWNQLDSAR-SFHVURJKSA-N 1 0 420.391 4.128 20 5 HIBDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000504030408 912931867 /nfs/dbraw/zinc/93/18/67/912931867.db2.gz JUCQGUJIPYDWKP-CQSZACIVSA-N 1 0 404.488 4.051 20 5 HIBDRO Cc1ccc([C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccn2)cc1 ZINC000471082682 885608842 /nfs/dbraw/zinc/60/88/42/885608842.db2.gz YIWGLICMQFTMSQ-HSZRJFAPSA-N 1 0 404.470 4.314 20 5 HIBDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000471564360 886273103 /nfs/dbraw/zinc/27/31/03/886273103.db2.gz SRBPQSHOFGQJQJ-GMBSWORKSA-N 1 0 403.866 4.085 20 5 HIBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCSc2ccc(Br)cc21 ZINC000472234853 887042411 /nfs/dbraw/zinc/04/24/11/887042411.db2.gz UAAVOGVDFGUHNC-HNNXBMFYSA-N 1 0 411.325 4.113 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472350748 887186280 /nfs/dbraw/zinc/18/62/80/887186280.db2.gz QPXGNNLMCCIVNU-SZNDQCEHSA-N 1 0 401.438 4.154 20 5 HIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472460381 887318179 /nfs/dbraw/zinc/31/81/79/887318179.db2.gz CFNIGJIPSPGOTA-JOCHJYFZSA-N 1 0 420.513 4.389 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472638534 887502596 /nfs/dbraw/zinc/50/25/96/887502596.db2.gz QBSDAVZIPSUTLL-HSZRJFAPSA-N 1 0 409.486 4.202 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474230119 889073894 /nfs/dbraw/zinc/07/38/94/889073894.db2.gz HERFQCSHKIRLTA-UHFFFAOYSA-N 1 0 411.502 4.039 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000474366182 889243564 /nfs/dbraw/zinc/24/35/64/889243564.db2.gz AJJUUPYQUYTHMR-GFCCVEGCSA-N 1 0 412.364 4.016 20 5 HIBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000475196350 890064310 /nfs/dbraw/zinc/06/43/10/890064310.db2.gz UTQKYDVEMYUTBN-QWHCGFSZSA-N 1 0 414.428 4.388 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000475332260 890252592 /nfs/dbraw/zinc/25/25/92/890252592.db2.gz JZGSQWHFMAWFHX-UHFFFAOYSA-N 1 0 423.382 4.091 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cs2)c1 ZINC000475352153 890274984 /nfs/dbraw/zinc/27/49/84/890274984.db2.gz SKGBORDKPOJIAV-BGYRXZFFSA-N 1 0 420.538 4.282 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ncccc3O)o2)c(Br)c1 ZINC000475355199 890280665 /nfs/dbraw/zinc/28/06/65/890280665.db2.gz JKDFSSGYUAYFAU-UHFFFAOYSA-N 1 0 404.220 4.008 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1Cc2ccccc2C1 ZINC000475507761 890423629 /nfs/dbraw/zinc/42/36/29/890423629.db2.gz AQPUEEFVXVUDHX-OAHLLOKOSA-N 1 0 407.495 4.344 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000475627342 890565199 /nfs/dbraw/zinc/56/51/99/890565199.db2.gz QVNXCLAKLQMCQL-BTYIYWSLSA-N 1 0 418.877 4.420 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000504893493 913622067 /nfs/dbraw/zinc/62/20/67/913622067.db2.gz GBYQLTKXVKUUJV-HXUWFJFHSA-N 1 0 415.559 4.088 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nnc2n1CCCCC2 ZINC000504912544 913646566 /nfs/dbraw/zinc/64/65/66/913646566.db2.gz XIWFEHRSMNTNCK-INIZCTEOSA-N 1 0 403.552 4.006 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504918277 913654267 /nfs/dbraw/zinc/65/42/67/913654267.db2.gz GCFRWQLPZNDSLK-XMSQKQJNSA-N 1 0 413.518 4.026 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000504920038 913656394 /nfs/dbraw/zinc/65/63/94/913656394.db2.gz MLNMTAULUSHTIP-LPHOPBHVSA-N 1 0 400.475 4.320 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000504931492 913672580 /nfs/dbraw/zinc/67/25/80/913672580.db2.gz YISFCURDCUFUMY-ZDUSSCGKSA-N 1 0 421.881 4.335 20 5 HIBDRO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000477693888 892813278 /nfs/dbraw/zinc/81/32/78/892813278.db2.gz OGWBSFPTBVTUST-CTNGQTDRSA-N 1 0 423.513 4.039 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c(F)c1 ZINC000478248235 893419304 /nfs/dbraw/zinc/41/93/04/893419304.db2.gz AUWPOCNSGSWQCG-LBPRGKRZSA-N 1 0 418.778 4.170 20 5 HIBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000478265140 893453502 /nfs/dbraw/zinc/45/35/02/893453502.db2.gz ZLNZPWUUBGHIPP-HXUWFJFHSA-N 1 0 416.909 4.004 20 5 HIBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000479382875 894684345 /nfs/dbraw/zinc/68/43/45/894684345.db2.gz CEAJPDCYDQJUJI-UHFFFAOYSA-N 1 0 421.419 4.316 20 5 HIBDRO CC1(C)C[C@H]([NH2+]CCCCn2cc(Br)cn2)c2cc([N+](=O)[O-])ccc21 ZINC000479452312 894771772 /nfs/dbraw/zinc/77/17/72/894771772.db2.gz ZMLYHQGLFZCGHL-KRWDZBQOSA-N 1 0 407.312 4.346 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)c(F)c1 ZINC000479926568 895273613 /nfs/dbraw/zinc/27/36/13/895273613.db2.gz PLZCSCOWGOAABI-CYBMUJFWSA-N 1 0 408.271 4.113 20 5 HIBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000480024326 895373368 /nfs/dbraw/zinc/37/33/68/895373368.db2.gz YSCIMZNPWCQMIC-JXFKEZNVSA-N 1 0 411.502 4.037 20 5 HIBDRO Cc1c(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cccc1[N+](=O)[O-] ZINC000480063145 895412038 /nfs/dbraw/zinc/41/20/38/895412038.db2.gz FYCGEPOFWOVTOH-UHFFFAOYSA-N 1 0 422.529 4.101 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC1 ZINC000480524886 895888831 /nfs/dbraw/zinc/88/88/31/895888831.db2.gz JKXLLGXSBQOPIQ-HSZRJFAPSA-N 1 0 422.529 4.153 20 5 HIBDRO CCC[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000480901759 896257780 /nfs/dbraw/zinc/25/77/80/896257780.db2.gz QZPMDNVFIUILTJ-NRFANRHFSA-N 1 0 407.474 4.061 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000481420124 896822713 /nfs/dbraw/zinc/82/27/13/896822713.db2.gz BQRPUXAITNYBOA-HXUWFJFHSA-N 1 0 400.479 4.115 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000481516979 896884384 /nfs/dbraw/zinc/88/43/84/896884384.db2.gz OIXQVUGXDRCVCY-BWAGFHJFSA-N 1 0 411.502 4.066 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000481709195 897098764 /nfs/dbraw/zinc/09/87/64/897098764.db2.gz CLKGZASCQYDIBI-KRWDZBQOSA-N 1 0 411.502 4.298 20 5 HIBDRO O=C(C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000481720404 897114226 /nfs/dbraw/zinc/11/42/26/897114226.db2.gz FXBOOXHOSCVLBP-SFHVURJKSA-N 1 0 422.254 4.176 20 5 HIBDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482007755 897404489 /nfs/dbraw/zinc/40/44/89/897404489.db2.gz KISKPKVYVOGRQU-LJQANCHMSA-N 1 0 401.894 4.496 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000482492501 898071367 /nfs/dbraw/zinc/07/13/67/898071367.db2.gz WVXMOJGWRONPRE-GOSISDBHSA-N 1 0 421.419 4.254 20 5 HIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000482534673 898120800 /nfs/dbraw/zinc/12/08/00/898120800.db2.gz JUFCDYBTENLLPE-SJORKVTESA-N 1 0 400.498 4.206 20 5 HIBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037883 898704812 /nfs/dbraw/zinc/70/48/12/898704812.db2.gz FGJJLQKKJDBDPA-GGAORHGYSA-N 1 0 411.502 4.474 20 5 HIBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC[C@@H]21 ZINC000483165491 898834354 /nfs/dbraw/zinc/83/43/54/898834354.db2.gz CGLPKYXEFVZCJM-KKSFZXQISA-N 1 0 410.474 4.335 20 5 HIBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC[C@H]21 ZINC000483165490 898834885 /nfs/dbraw/zinc/83/48/85/898834885.db2.gz CGLPKYXEFVZCJM-IIBYNOLFSA-N 1 0 410.474 4.335 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000483217555 898864002 /nfs/dbraw/zinc/86/40/02/898864002.db2.gz ZHSFCUFNWZLKDC-GOSISDBHSA-N 1 0 411.527 4.446 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000483558760 899216499 /nfs/dbraw/zinc/21/64/99/899216499.db2.gz IDJXDBUTOMVZNP-QZTJIDSGSA-N 1 0 405.564 4.289 20 5 HIBDRO C[C@H](NC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1)c1ccccc1 ZINC000484145557 899767155 /nfs/dbraw/zinc/76/71/55/899767155.db2.gz MYFXILASWRKAFM-WMZHIEFXSA-N 1 0 423.557 4.406 20 5 HIBDRO Cc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OCC[NH+](C)C)c1 ZINC000484236136 899827477 /nfs/dbraw/zinc/82/74/77/899827477.db2.gz QXTMDWZHKSOXPV-UHFFFAOYSA-N 1 0 412.490 4.040 20 5 HIBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484969730 900329817 /nfs/dbraw/zinc/32/98/17/900329817.db2.gz NHRZWZJUMLSVHZ-IRXDYDNUSA-N 1 0 415.877 4.397 20 5 HIBDRO CSc1cccc(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000485757903 901014730 /nfs/dbraw/zinc/01/47/30/901014730.db2.gz JXKVTLOMSQRPLB-LJQANCHMSA-N 1 0 413.543 4.129 20 5 HIBDRO CC(C)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000486085057 901274358 /nfs/dbraw/zinc/27/43/58/901274358.db2.gz DLPMIHDMICTMER-UHFFFAOYSA-N 1 0 411.502 4.026 20 5 HIBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486704567 901804427 /nfs/dbraw/zinc/80/44/27/901804427.db2.gz GKCWMPJHCQCLBP-QGZVFWFLSA-N 1 0 421.419 4.142 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCc1cscn1)c1ccccc1 ZINC000486749613 901828184 /nfs/dbraw/zinc/82/81/84/901828184.db2.gz XNOXGHXJWHRGKC-SFHVURJKSA-N 1 0 416.890 4.217 20 5 HIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486820613 901874362 /nfs/dbraw/zinc/87/43/62/901874362.db2.gz GIOOKZZZKPZQFZ-QXATTWAWSA-N 1 0 405.458 4.155 20 5 HIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486825841 901878596 /nfs/dbraw/zinc/87/85/96/901878596.db2.gz OTNVIRNWCZHFGB-OPAMFIHVSA-N 1 0 408.433 4.338 20 5 HIBDRO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000487166646 902083005 /nfs/dbraw/zinc/08/30/05/902083005.db2.gz PTXXMRVDUHLBDY-UHFFFAOYSA-N 1 0 406.364 4.302 20 5 HIBDRO C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000487182098 902089944 /nfs/dbraw/zinc/08/99/44/902089944.db2.gz ABGIIQLVFNYQKH-IERDGZPVSA-N 1 0 404.470 4.078 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000487236492 902109123 /nfs/dbraw/zinc/10/91/23/902109123.db2.gz YGTNWDBVPFQSCS-SFHVURJKSA-N 1 0 422.529 4.494 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[NH+]2CCCC2)o1 ZINC000487946855 902475928 /nfs/dbraw/zinc/47/59/28/902475928.db2.gz ODRGXQKCCODWGH-HXUWFJFHSA-N 1 0 412.490 4.007 20 5 HIBDRO COc1ccc(C[N@@H+]2CCSC[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000488398101 902807773 /nfs/dbraw/zinc/80/77/73/902807773.db2.gz PDEGRGNDWMKSOI-INIZCTEOSA-N 1 0 402.516 4.367 20 5 HIBDRO C[C@@H]([NH2+][C@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489040716 903145514 /nfs/dbraw/zinc/14/55/14/903145514.db2.gz WIZXNWATSCTONC-AUUYWEPGSA-N 1 0 403.454 4.144 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489088359 903190246 /nfs/dbraw/zinc/19/02/46/903190246.db2.gz MVDQXIBGTXHQBC-QGZVFWFLSA-N 1 0 410.518 4.355 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000489541212 903452918 /nfs/dbraw/zinc/45/29/18/903452918.db2.gz YTXRGUOJDZYEGI-KRWDZBQOSA-N 1 0 405.564 4.433 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000489574018 903472963 /nfs/dbraw/zinc/47/29/63/903472963.db2.gz RMAFVSOLBZFWPW-XAUMDUMWSA-N 1 0 416.547 4.408 20 5 HIBDRO 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 903720827 /nfs/dbraw/zinc/72/08/27/903720827.db2.gz OLRBUACCAGBVCM-HNULKUCHSA-N 1 0 417.550 4.287 20 5 HIBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490093382 903766959 /nfs/dbraw/zinc/76/69/59/903766959.db2.gz TWUGJKZPVNIJJZ-IBGZPJMESA-N 1 0 405.882 4.205 20 5 HIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342798 903936227 /nfs/dbraw/zinc/93/62/27/903936227.db2.gz VOPJFRRTFNDWFS-UONOGXRCSA-N 1 0 404.479 4.353 20 5 HIBDRO COc1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490550582 904094958 /nfs/dbraw/zinc/09/49/58/904094958.db2.gz WZLVHIBVMXQBSG-INIZCTEOSA-N 1 0 414.449 4.171 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)c2ccccc2)c1 ZINC000491309892 904529013 /nfs/dbraw/zinc/52/90/13/904529013.db2.gz ZPSKCJGTLSGLAF-GMAHTHKFSA-N 1 0 423.538 4.409 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000491377184 904567177 /nfs/dbraw/zinc/56/71/77/904567177.db2.gz VIBINUKVVROLKX-GOSISDBHSA-N 1 0 411.502 4.168 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000491423156 904588102 /nfs/dbraw/zinc/58/81/02/904588102.db2.gz LEDMVNOFPWLZPE-RXVVDRJESA-N 1 0 422.529 4.322 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000491603989 904670649 /nfs/dbraw/zinc/67/06/49/904670649.db2.gz IBBWKSUUUXRMCD-GOSISDBHSA-N 1 0 407.474 4.158 20 5 HIBDRO O=C(C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1)N1CCCC1 ZINC000506235712 914856803 /nfs/dbraw/zinc/85/68/03/914856803.db2.gz OWHAGLAHAACIDS-UHFFFAOYSA-N 1 0 417.893 4.343 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000493105304 905020985 /nfs/dbraw/zinc/02/09/85/905020985.db2.gz LPNLINTZXCXEKG-RBUKOAKNSA-N 1 0 402.539 4.118 20 5 HIBDRO COc1cc(C[NH2+]C[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000493705745 905200452 /nfs/dbraw/zinc/20/04/52/905200452.db2.gz IXFVXHRFYFBHIJ-NSHDSACASA-N 1 0 416.371 4.419 20 5 HIBDRO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1NC(C)=O ZINC000494483143 905765526 /nfs/dbraw/zinc/76/55/26/905765526.db2.gz HRCKIXORUMIUQS-NSHDSACASA-N 1 0 411.380 4.431 20 5 HIBDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000494519575 905809525 /nfs/dbraw/zinc/80/95/25/905809525.db2.gz BYRCOYJMGHUNLM-GFCCVEGCSA-N 1 0 411.380 4.129 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1[N+](=O)[O-] ZINC000494575288 905843838 /nfs/dbraw/zinc/84/38/38/905843838.db2.gz BVPHHNGAGQIDFF-UHFFFAOYSA-N 1 0 420.391 4.157 20 5 HIBDRO COc1cc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)c([N+](=O)[O-])cc1OCC(F)F ZINC000494599033 905856020 /nfs/dbraw/zinc/85/60/20/905856020.db2.gz GGMOYZYVIMECMP-UHFFFAOYSA-N 1 0 423.391 4.200 20 5 HIBDRO COc1cc(C[NH2+]CCc2c[nH]c3cc(C)ccc23)c([N+](=O)[O-])cc1OCC(F)F ZINC000494629645 905872910 /nfs/dbraw/zinc/87/29/10/905872910.db2.gz CQYOAQYIZDQWQX-UHFFFAOYSA-N 1 0 419.428 4.369 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000495023406 906182964 /nfs/dbraw/zinc/18/29/64/906182964.db2.gz GVAVBYZQMFIUKD-RXVVDRJESA-N 1 0 422.529 4.322 20 5 HIBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@@H]2C1 ZINC000495092894 906232658 /nfs/dbraw/zinc/23/26/58/906232658.db2.gz YGAIHXQRSMCHSC-FZKQIMNGSA-N 1 0 420.307 4.143 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000495178183 906287971 /nfs/dbraw/zinc/28/79/71/906287971.db2.gz POZDVHXBVHEHRX-SFHVURJKSA-N 1 0 424.423 4.024 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1Cc1ccccc1 ZINC000512546415 921227246 /nfs/dbraw/zinc/22/72/46/921227246.db2.gz VDAOPYHQIXXLRN-WMZOPIPTSA-N 1 0 406.486 4.107 20 5 HIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000495441045 906453562 /nfs/dbraw/zinc/45/35/62/906453562.db2.gz ZXEZYTBTPZBRTG-ZDUSSCGKSA-N 1 0 402.882 4.425 20 5 HIBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497101896 906805420 /nfs/dbraw/zinc/80/54/20/906805420.db2.gz ZFYDZCPXJPCKOC-FPOVZHCZSA-N 1 0 414.502 4.165 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000497439678 906912144 /nfs/dbraw/zinc/91/21/44/906912144.db2.gz WRCWDCHUQKKHHE-UHFFFAOYSA-N 1 0 401.551 4.233 20 5 HIBDRO CNC(=O)c1ccc(NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000512708429 921293353 /nfs/dbraw/zinc/29/33/53/921293353.db2.gz SRUPDMVKTBRUHV-IAGOWNOFSA-N 1 0 410.518 4.044 20 5 HIBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497730203 907227712 /nfs/dbraw/zinc/22/77/12/907227712.db2.gz OIHCOXDSICPGAQ-LJQANCHMSA-N 1 0 422.510 4.285 20 5 HIBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC[N@@H+]2C2CC2)c1 ZINC000498386713 907873637 /nfs/dbraw/zinc/87/36/37/907873637.db2.gz KCIUNURHVNAQMK-PZJWPPBQSA-N 1 0 410.474 4.011 20 5 HIBDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000498559364 908018857 /nfs/dbraw/zinc/01/88/57/908018857.db2.gz IIMQDAQTGNBJAN-TZIWHRDSSA-N 1 0 410.474 4.011 20 5 HIBDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000498559362 908019875 /nfs/dbraw/zinc/01/98/75/908019875.db2.gz IIMQDAQTGNBJAN-FPOVZHCZSA-N 1 0 410.474 4.011 20 5 HIBDRO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498718732 908143794 /nfs/dbraw/zinc/14/37/94/908143794.db2.gz TXMAFJRBSJGGKI-ICSRJNTNSA-N 1 0 422.529 4.179 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000499184739 908539093 /nfs/dbraw/zinc/53/90/93/908539093.db2.gz UMTCQXSANAACBM-CQSZACIVSA-N 1 0 420.560 4.115 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000513061114 921516562 /nfs/dbraw/zinc/51/65/62/921516562.db2.gz HGLCEIPZYRAUCT-STQMWFEESA-N 1 0 406.280 4.425 20 5 HIBDRO COc1ccc(C[NH2+]CC2(C)CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000500220113 909710636 /nfs/dbraw/zinc/71/06/36/909710636.db2.gz FYDHMRPLKMXRRI-UHFFFAOYSA-N 1 0 400.475 4.089 20 5 HIBDRO Cn1cc(C[NH2+]CCCc2c[nH]c3ccc(F)cc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500463077 909873343 /nfs/dbraw/zinc/87/33/43/909873343.db2.gz SOHLEULLYFYSQR-UHFFFAOYSA-N 1 0 407.449 4.338 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000513120960 921565695 /nfs/dbraw/zinc/56/56/95/921565695.db2.gz WEVZOXUGIDTDRO-FQEVSTJZSA-N 1 0 406.486 4.107 20 5 HIBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000513144990 921583228 /nfs/dbraw/zinc/58/32/28/921583228.db2.gz PDWISUSFYGYURR-AWEZNQCLSA-N 1 0 408.296 4.143 20 5 HIBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000501716025 910783283 /nfs/dbraw/zinc/78/32/83/910783283.db2.gz MBCKCTRFIHQDNI-SFHVURJKSA-N 1 0 411.506 4.135 20 5 HIBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000502355247 911336156 /nfs/dbraw/zinc/33/61/56/911336156.db2.gz SPZRUFDDIPGPCG-LJQANCHMSA-N 1 0 419.485 4.258 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513259578 921664714 /nfs/dbraw/zinc/66/47/14/921664714.db2.gz CNDCGQWECQAOOY-IBGZPJMESA-N 1 0 422.510 4.113 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1 ZINC000502619406 911643729 /nfs/dbraw/zinc/64/37/29/911643729.db2.gz VEAWBLUUXHUSOQ-YLJYHZDGSA-N 1 0 417.893 4.477 20 5 HIBDRO CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502918546 911903763 /nfs/dbraw/zinc/90/37/63/911903763.db2.gz JNOSOEWVTMSOIZ-INIZCTEOSA-N 1 0 423.473 4.274 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000502998251 911974067 /nfs/dbraw/zinc/97/40/67/911974067.db2.gz KHANVVLFDOGJIQ-WOJBJXKFSA-N 1 0 416.569 4.019 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)c1ccccc1 ZINC000506280086 914880874 /nfs/dbraw/zinc/88/08/74/914880874.db2.gz LWEDUPGKTHBWSZ-UHFFFAOYSA-N 1 0 405.454 4.249 20 5 HIBDRO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506459054 915058403 /nfs/dbraw/zinc/05/84/03/915058403.db2.gz GGMXXYJFYUHAQL-UHFFFAOYSA-N 1 0 411.502 4.469 20 5 HIBDRO COc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000506560329 915207486 /nfs/dbraw/zinc/20/74/86/915207486.db2.gz IVCAALCPXWMDKP-SFHVURJKSA-N 1 0 412.486 4.183 20 5 HIBDRO CC[NH+]1CCC(N(C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506689084 915367206 /nfs/dbraw/zinc/36/72/06/915367206.db2.gz IYAMWIDNGHHWMD-UHFFFAOYSA-N 1 0 419.529 4.364 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000506933400 915735972 /nfs/dbraw/zinc/73/59/72/915735972.db2.gz TYUXZPFEGRCYOI-UHFFFAOYSA-N 1 0 418.291 4.273 20 5 HIBDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000507005754 915818031 /nfs/dbraw/zinc/81/80/31/915818031.db2.gz AIPFYYIVPPJZDL-UHFFFAOYSA-N 1 0 401.532 4.452 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000507305303 916068073 /nfs/dbraw/zinc/06/80/73/916068073.db2.gz UPVPZZXXPZJXJT-BEFAXECRSA-N 1 0 403.548 4.186 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000507443817 916213914 /nfs/dbraw/zinc/21/39/14/916213914.db2.gz YONKHGJLFWBHAW-KDURUIRLSA-N 1 0 419.569 4.027 20 5 HIBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000507929241 916803757 /nfs/dbraw/zinc/80/37/57/916803757.db2.gz HMKTUJPIBVHRBV-UONOGXRCSA-N 1 0 405.882 4.433 20 5 HIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000507951060 916813039 /nfs/dbraw/zinc/81/30/39/916813039.db2.gz MTTGOCLASZLRFC-AWEZNQCLSA-N 1 0 400.385 4.303 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)cc1 ZINC000508020552 916857473 /nfs/dbraw/zinc/85/74/73/916857473.db2.gz HQMUMVMFPAPCCN-QGZVFWFLSA-N 1 0 400.385 4.270 20 5 HIBDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000508240402 917058111 /nfs/dbraw/zinc/05/81/11/917058111.db2.gz NBUDIHYIGKPVDQ-SFHVURJKSA-N 1 0 420.897 4.079 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509030815 917785896 /nfs/dbraw/zinc/78/58/96/917785896.db2.gz KCRNDQAFLYWXFR-CQSZACIVSA-N 1 0 422.451 4.005 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000509266845 917955956 /nfs/dbraw/zinc/95/59/56/917955956.db2.gz ZTKRCLKCHYNCMK-QFIPXVFZSA-N 1 0 410.518 4.352 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000509368883 918034320 /nfs/dbraw/zinc/03/43/20/918034320.db2.gz AVAIRDNIXPGBET-QFIPXVFZSA-N 1 0 410.518 4.352 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509948484 918544133 /nfs/dbraw/zinc/54/41/33/918544133.db2.gz IZEQYLDNXSHHCT-HXUWFJFHSA-N 1 0 422.485 4.083 20 5 HIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000510494628 918942449 /nfs/dbraw/zinc/94/24/49/918942449.db2.gz YKYQGHMMVZUMMQ-UHFFFAOYSA-N 1 0 406.280 4.288 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000510526384 918972891 /nfs/dbraw/zinc/97/28/91/918972891.db2.gz PFYRNNUBNNCLMM-GUXCAODWSA-N 1 0 401.532 4.191 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000510543403 918988000 /nfs/dbraw/zinc/98/80/00/918988000.db2.gz AUGJADCNOKGMQC-UGSOOPFHSA-N 1 0 409.408 4.343 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000510547603 918992382 /nfs/dbraw/zinc/99/23/82/918992382.db2.gz PAGAKAXNBBHQAI-FZKQIMNGSA-N 1 0 420.307 4.087 20 5 HIBDRO C[C@@H]1CN(C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)CCO1 ZINC000510548316 918992761 /nfs/dbraw/zinc/99/27/61/918992761.db2.gz AKLGVTVHEJYDQY-MRXNPFEDSA-N 1 0 401.532 4.008 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000510547606 918992797 /nfs/dbraw/zinc/99/27/97/918992797.db2.gz PAGAKAXNBBHQAI-UGSOOPFHSA-N 1 0 420.307 4.087 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510818383 919296000 /nfs/dbraw/zinc/29/60/00/919296000.db2.gz UBSBRXRSQWCWKB-UHFFFAOYSA-N 1 0 420.416 4.114 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510823533 919302721 /nfs/dbraw/zinc/30/27/21/919302721.db2.gz CKDORXRLSBBJAK-UHFFFAOYSA-N 1 0 420.416 4.114 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510835303 919316362 /nfs/dbraw/zinc/31/63/62/919316362.db2.gz DTRUHLCNAHEMPK-KRWDZBQOSA-N 1 0 420.416 4.155 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000510895981 919393658 /nfs/dbraw/zinc/39/36/58/919393658.db2.gz SJCZGVBXVFMFHG-IBGZPJMESA-N 1 0 424.545 4.353 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000511099789 919704391 /nfs/dbraw/zinc/70/43/91/919704391.db2.gz SLPRABDAWPYACN-OAHLLOKOSA-N 1 0 422.576 4.217 20 5 HIBDRO COc1cc(C[NH+]2CCC(c3cn[nH]c3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511521300 920140525 /nfs/dbraw/zinc/14/05/25/920140525.db2.gz HXFQDDOOSGWXHL-UHFFFAOYSA-N 1 0 422.485 4.285 20 5 HIBDRO CC[N@H+](Cc1cnn(C)c1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000511630608 920292495 /nfs/dbraw/zinc/29/24/95/920292495.db2.gz ROTUNNXRGIXTCG-UHFFFAOYSA-N 1 0 416.485 4.203 20 5 HIBDRO CSc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000511713341 920378325 /nfs/dbraw/zinc/37/83/25/920378325.db2.gz OKMFTZJEHJAYTA-IBGZPJMESA-N 1 0 413.543 4.347 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)o2)c1 ZINC000511765090 920449564 /nfs/dbraw/zinc/44/95/64/920449564.db2.gz LXZCGXIRKLNRFL-YPAWHYETSA-N 1 0 419.481 4.297 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000511766793 920452177 /nfs/dbraw/zinc/45/21/77/920452177.db2.gz APMFPYKNRWIESC-OAQYLSRUSA-N 1 0 407.470 4.372 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000512163099 920899509 /nfs/dbraw/zinc/89/95/09/920899509.db2.gz DVOMLVCVVFMQOP-OAQYLSRUSA-N 1 0 410.518 4.037 20 5 HIBDRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000512235768 920989938 /nfs/dbraw/zinc/98/99/38/920989938.db2.gz DEVPGOVYFMPRPG-UHFFFAOYSA-N 1 0 401.532 4.404 20 5 HIBDRO CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000513472748 921831796 /nfs/dbraw/zinc/83/17/96/921831796.db2.gz LKYNCRMKCDBZQN-HSZRJFAPSA-N 1 0 417.513 4.116 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000513729905 922049845 /nfs/dbraw/zinc/04/98/45/922049845.db2.gz SPKJXUIDLRNTOY-ORPRQENYSA-N 1 0 419.428 4.098 20 5 HIBDRO CC[NH+](CC)[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513763518 922083098 /nfs/dbraw/zinc/08/30/98/922083098.db2.gz YTJQDMBIKHDSJQ-YADHBBJMSA-N 1 0 407.518 4.090 20 5 HIBDRO O=C(c1ccccc1)N1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513787248 922112009 /nfs/dbraw/zinc/11/20/09/922112009.db2.gz VVEGQMGOSOEXFS-UGKGYDQZSA-N 1 0 407.514 4.200 20 5 HIBDRO O=c1ccccn1Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000513787352 922112270 /nfs/dbraw/zinc/11/22/70/922112270.db2.gz XNOFHSMKKYMFRL-GGAORHGYSA-N 1 0 417.509 4.306 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000513824642 922149798 /nfs/dbraw/zinc/14/97/98/922149798.db2.gz OCHYAULQHOTNSV-WBKMXMRLSA-N 1 0 404.457 4.133 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000513914755 922237014 /nfs/dbraw/zinc/23/70/14/922237014.db2.gz JIBDTBXLMOTQSN-IBGZPJMESA-N 1 0 401.894 4.279 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000513914675 922237809 /nfs/dbraw/zinc/23/78/09/922237809.db2.gz IJDLOXUOYJYKJA-QFIPXVFZSA-N 1 0 424.545 4.204 20 5 HIBDRO CCC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCc2sccc2C1 ZINC000514991475 922870010 /nfs/dbraw/zinc/87/00/10/922870010.db2.gz VDJMSRNOICQURD-VQTJNVASSA-N 1 0 413.543 4.377 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000515190420 922978626 /nfs/dbraw/zinc/97/86/26/922978626.db2.gz AAXBXOLQAHGOIL-UHFFFAOYSA-N 1 0 411.506 4.252 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(OC)c1 ZINC000515298539 923040935 /nfs/dbraw/zinc/04/09/35/923040935.db2.gz MQHGVDFMORUZES-LJQANCHMSA-N 1 0 411.458 4.163 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000515336264 923058795 /nfs/dbraw/zinc/05/87/95/923058795.db2.gz ABFDEVVGHNJZPF-HOCLYGCPSA-N 1 0 407.308 4.168 20 5 HIBDRO C[C@H]([C@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000518772815 927485802 /nfs/dbraw/zinc/48/58/02/927485802.db2.gz FVKLCOXJUUZZGB-JKSUJKDBSA-N 1 0 419.909 4.239 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H](C)N1CCOCC1 ZINC000518772813 927486705 /nfs/dbraw/zinc/48/67/05/927486705.db2.gz FVKLCOXJUUZZGB-HOTGVXAUSA-N 1 0 419.909 4.239 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000518776606 927488921 /nfs/dbraw/zinc/48/89/21/927488921.db2.gz JBANXJGMGHUHAN-UHFFFAOYSA-N 1 0 406.364 4.098 20 5 HIBDRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000518850294 927554520 /nfs/dbraw/zinc/55/45/20/927554520.db2.gz XATRFLYYSQGWDY-UHFFFAOYSA-N 1 0 413.493 4.199 20 5 HIBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000519886456 928119258 /nfs/dbraw/zinc/11/92/58/928119258.db2.gz SVSWONLSMOSRBR-UHFFFAOYSA-N 1 0 411.502 4.056 20 5 HIBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N2CCOCC2)cc1 ZINC000520201831 928386860 /nfs/dbraw/zinc/38/68/60/928386860.db2.gz SJPVQZLSGTWMTA-QHCPKHFHSA-N 1 0 421.497 4.326 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1SC ZINC000520359775 928519871 /nfs/dbraw/zinc/51/98/71/928519871.db2.gz ZDELOGSXECEDJY-UHFFFAOYSA-N 1 0 417.531 4.096 20 5 HIBDRO CC[NH+](CC)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000520470132 928585672 /nfs/dbraw/zinc/58/56/72/928585672.db2.gz HAPSGRMZUIPZPP-GOSISDBHSA-N 1 0 424.423 4.208 20 5 HIBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)C2 ZINC000520952280 928887387 /nfs/dbraw/zinc/88/73/87/928887387.db2.gz MCAXGPOUHAXQTJ-IBGZPJMESA-N 1 0 403.486 4.108 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000521283081 929099168 /nfs/dbraw/zinc/09/91/68/929099168.db2.gz CMQMUAKTEXGELR-OAHLLOKOSA-N 1 0 419.909 4.174 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000521449889 929227335 /nfs/dbraw/zinc/22/73/35/929227335.db2.gz SFYHUFLMYBEIAC-KRWDZBQOSA-N 1 0 410.518 4.054 20 5 HIBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000521813631 929472192 /nfs/dbraw/zinc/47/21/92/929472192.db2.gz HEPRYSPXHRPFGZ-UHFFFAOYSA-N 1 0 424.545 4.401 20 5 HIBDRO Cc1cc(C)n(-c2ccc(CC[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 ZINC000521817114 929473561 /nfs/dbraw/zinc/47/35/61/929473561.db2.gz ULXAYEURHAQAJS-UHFFFAOYSA-N 1 0 416.428 4.331 20 5 HIBDRO Cc1c([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000521819453 929477912 /nfs/dbraw/zinc/47/79/12/929477912.db2.gz JGNAXNBSTHMNLU-INIZCTEOSA-N 1 0 416.485 4.340 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524653286 929765949 /nfs/dbraw/zinc/76/59/49/929765949.db2.gz SGBJYTIRPWHCDU-CJNGLKHVSA-N 1 0 403.866 4.253 20 5 HIBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000524799213 929833684 /nfs/dbraw/zinc/83/36/84/929833684.db2.gz TUCOBOVMZMBTBX-HXUWFJFHSA-N 1 0 414.506 4.037 20 5 HIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000524892772 929876016 /nfs/dbraw/zinc/87/60/16/929876016.db2.gz MQYAEHCNPGRRFD-PMACEKPBSA-N 1 0 404.507 4.411 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000525057925 930008532 /nfs/dbraw/zinc/00/85/32/930008532.db2.gz YYRSBWDUSGEVPG-IERDGZPVSA-N 1 0 416.547 4.048 20 5 HIBDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000525195944 930083014 /nfs/dbraw/zinc/08/30/14/930083014.db2.gz GEYXIVGUEBZLFK-MRXNPFEDSA-N 1 0 407.518 4.434 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C1 ZINC000525799359 930448612 /nfs/dbraw/zinc/44/86/12/930448612.db2.gz QWKXWFCYSSRJAE-HNNXBMFYSA-N 1 0 408.458 4.049 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000530728432 930810138 /nfs/dbraw/zinc/81/01/38/930810138.db2.gz XGTWQRSJGAAALT-QWHCGFSZSA-N 1 0 406.280 4.344 20 5 HIBDRO COc1ccccc1C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000531129691 930934199 /nfs/dbraw/zinc/93/41/99/930934199.db2.gz QRAROFCLZJYKAZ-AUUYWEPGSA-N 1 0 419.909 4.441 20 5 HIBDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204495 930964647 /nfs/dbraw/zinc/96/46/47/930964647.db2.gz GEXADSDINOFHIU-RDJZCZTQSA-N 1 0 421.501 4.384 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000531692066 931156250 /nfs/dbraw/zinc/15/62/50/931156250.db2.gz FJTMZMZYFLUXOC-IAGOWNOFSA-N 1 0 419.547 4.346 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532119782 931320966 /nfs/dbraw/zinc/32/09/66/931320966.db2.gz GXOZBUKKWHGZAX-HBMCJLEFSA-N 1 0 412.486 4.230 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000532210160 931352798 /nfs/dbraw/zinc/35/27/98/931352798.db2.gz RISSVMAUHKESDM-UTKZUKDTSA-N 1 0 411.502 4.398 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000532460178 931444768 /nfs/dbraw/zinc/44/47/68/931444768.db2.gz UBACBVMYXIRMPD-DLBZAZTESA-N 1 0 419.547 4.346 20 5 HIBDRO C[C@H](c1ccncc1)[NH+]1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000532669678 931577417 /nfs/dbraw/zinc/57/74/17/931577417.db2.gz OLLRXDWOFMDZOD-MRXNPFEDSA-N 1 0 423.542 4.429 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000532751277 931622513 /nfs/dbraw/zinc/62/25/13/931622513.db2.gz OONNZBGHVGEURL-QGZVFWFLSA-N 1 0 401.850 4.383 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000532967151 931717037 /nfs/dbraw/zinc/71/70/37/931717037.db2.gz GUWZDCJCXSKPRT-GOSISDBHSA-N 1 0 401.463 4.451 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000533047757 931752114 /nfs/dbraw/zinc/75/21/14/931752114.db2.gz NNULPAFQEYPGGT-INIZCTEOSA-N 1 0 412.421 4.042 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCO[C@]4(CCSC4)C3)o2)c([N+](=O)[O-])c1 ZINC000533187560 931804692 /nfs/dbraw/zinc/80/46/92/931804692.db2.gz OOJWJSQMFNYSCR-JLTOFOAXSA-N 1 0 404.488 4.008 20 5 HIBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)c1 ZINC000533188218 931804841 /nfs/dbraw/zinc/80/48/41/931804841.db2.gz CUNXVPRZNOSFFT-UHFFFAOYSA-N 1 0 422.876 4.087 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000533303465 931833473 /nfs/dbraw/zinc/83/34/73/931833473.db2.gz YGRDWYGWVIRJSX-HNNXBMFYSA-N 1 0 403.866 4.075 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000533410814 931861145 /nfs/dbraw/zinc/86/11/45/931861145.db2.gz GQHSIJZNEJHAJK-UHFFFAOYSA-N 1 0 409.486 4.221 20 5 HIBDRO O=C(C[N@@H+](Cc1ccccc1)CC1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533424287 931863408 /nfs/dbraw/zinc/86/34/08/931863408.db2.gz PGDDYHMJXACYKA-UHFFFAOYSA-N 1 0 417.893 4.116 20 5 HIBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533533128 931895963 /nfs/dbraw/zinc/89/59/63/931895963.db2.gz UNQYOTGBRBMSKT-UHFFFAOYSA-N 1 0 403.552 4.369 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H](CO)CC(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000533803841 932039276 /nfs/dbraw/zinc/03/92/76/932039276.db2.gz MBKARUYOLVAYGP-CQSZACIVSA-N 1 0 400.422 4.457 20 5 HIBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)C2)CC1 ZINC000534487997 932527468 /nfs/dbraw/zinc/52/74/68/932527468.db2.gz BERUZTFCIDJFHQ-HXUWFJFHSA-N 1 0 422.529 4.011 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000534541280 932553186 /nfs/dbraw/zinc/55/31/86/932553186.db2.gz JHFPWSZQTQNHIT-KRWDZBQOSA-N 1 0 417.893 4.081 20 5 HIBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000534959411 932860096 /nfs/dbraw/zinc/86/00/96/932860096.db2.gz GZXBLSPGCLDZNT-GHTZIAJQSA-N 1 0 418.497 4.203 20 5 HIBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000534959416 932860167 /nfs/dbraw/zinc/86/01/67/932860167.db2.gz GZXBLSPGCLDZNT-WIYYLYMNSA-N 1 0 418.497 4.203 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(CCO)CC3)o2)c(Br)c1 ZINC000535069175 932896751 /nfs/dbraw/zinc/89/67/51/932896751.db2.gz ZZNCMBLCRRQREE-UHFFFAOYSA-N 1 0 409.280 4.212 20 5 HIBDRO C[N@H+](C[C@@H]1CCC[C@H]1O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000535115187 932932245 /nfs/dbraw/zinc/93/22/45/932932245.db2.gz DLLQEDFSEOQJAE-CWFSZBLJSA-N 1 0 417.893 4.021 20 5 HIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)nc2c1 ZINC000535665731 933309395 /nfs/dbraw/zinc/30/93/95/933309395.db2.gz LVFVZLFLBFOGNG-KRWDZBQOSA-N 1 0 421.501 4.296 20 5 HIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)C3)nc2c1 ZINC000535666828 933313050 /nfs/dbraw/zinc/31/30/50/933313050.db2.gz ZHVLORMUCFXSPA-MRXNPFEDSA-N 1 0 418.457 4.209 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535694001 933348944 /nfs/dbraw/zinc/34/89/44/933348944.db2.gz KYDXEQHCNRDVMQ-UHFFFAOYSA-N 1 0 412.877 4.124 20 5 HIBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535695139 933349109 /nfs/dbraw/zinc/34/91/09/933349109.db2.gz WPEAALHDUHUHOC-AYHJJNSGSA-N 1 0 404.470 4.002 20 5 HIBDRO COc1ccc(C[N@H+](C)CCC2CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537619196 938335124 /nfs/dbraw/zinc/33/51/24/938335124.db2.gz ZNJYZAGCFJZJBS-UHFFFAOYSA-N 1 0 414.502 4.431 20 5 HIBDRO COc1ccc(C2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000537628388 938340175 /nfs/dbraw/zinc/34/01/75/938340175.db2.gz GRIRAOQWCYEFCQ-UHFFFAOYSA-N 1 0 406.486 4.384 20 5 HIBDRO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537660873 938348938 /nfs/dbraw/zinc/34/89/38/938348938.db2.gz KECRRIZBLXUYRZ-GOSISDBHSA-N 1 0 412.877 4.302 20 5 HIBDRO Cn1cc(CNc2ccc(CC[NH+]3CCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537730808 938364854 /nfs/dbraw/zinc/36/48/54/938364854.db2.gz NDMJJLURNIUBBH-UHFFFAOYSA-N 1 0 405.502 4.246 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537867757 938394857 /nfs/dbraw/zinc/39/48/57/938394857.db2.gz FKTBTCDTSYAZEG-SIKLNZKXSA-N 1 0 414.502 4.476 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000538126436 938512244 /nfs/dbraw/zinc/51/22/44/938512244.db2.gz VCQOITGSFXWEFE-CABCVRRESA-N 1 0 401.463 4.068 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538175427 938536582 /nfs/dbraw/zinc/53/65/82/938536582.db2.gz CNWVXFRZZUBXDK-FQEVSTJZSA-N 1 0 409.873 4.421 20 5 HIBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000538388959 938608976 /nfs/dbraw/zinc/60/89/76/938608976.db2.gz MRPWUGJEXOPMJF-SFHVURJKSA-N 1 0 404.264 4.037 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000538574554 938653058 /nfs/dbraw/zinc/65/30/58/938653058.db2.gz NAMJFWAQHFTYAX-UHFFFAOYSA-N 1 0 401.532 4.479 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000538573427 938653063 /nfs/dbraw/zinc/65/30/63/938653063.db2.gz WQKXXRIIKFVSCK-UHFFFAOYSA-N 1 0 423.579 4.106 20 5 HIBDRO C[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCc2ccccc21 ZINC000538707721 938687531 /nfs/dbraw/zinc/68/75/31/938687531.db2.gz YQSGRLNPXRJGHY-IBGZPJMESA-N 1 0 418.291 4.137 20 5 HIBDRO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538716932 938688868 /nfs/dbraw/zinc/68/88/68/938688868.db2.gz NZWIDNNCGFKLFV-XLIONFOSSA-N 1 0 413.518 4.097 20 5 HIBDRO O=C1CCCCN1C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000538721336 938690629 /nfs/dbraw/zinc/69/06/29/938690629.db2.gz CQJMDOCWBOHHQU-UHFFFAOYSA-N 1 0 417.893 4.485 20 5 HIBDRO CCOc1cc(C[NH+]2CCC(C)(C)CC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538739432 938697555 /nfs/dbraw/zinc/69/75/55/938697555.db2.gz GQAGEXWRNWLMEU-UHFFFAOYSA-N 1 0 416.522 4.199 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538749964 938701522 /nfs/dbraw/zinc/70/15/22/938701522.db2.gz QGCXUJIKMRTSTO-WOJBJXKFSA-N 1 0 412.486 4.041 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000539042999 938779410 /nfs/dbraw/zinc/77/94/10/938779410.db2.gz CZRJBYFLADLFOY-NVMYHKGLSA-N 1 0 405.445 4.368 20 5 HIBDRO COc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccncc1 ZINC000539254120 938827130 /nfs/dbraw/zinc/82/71/30/938827130.db2.gz MGEGRTHEWCXRAW-KRWDZBQOSA-N 1 0 407.470 4.471 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000539327135 938842318 /nfs/dbraw/zinc/84/23/18/938842318.db2.gz UYTGNDYRWFUURY-AWEZNQCLSA-N 1 0 401.438 4.120 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000539410551 938856667 /nfs/dbraw/zinc/85/66/67/938856667.db2.gz MPVLYANGVNMQNV-HXUWFJFHSA-N 1 0 411.502 4.197 20 5 HIBDRO COc1ccc(-c2ccc(CNc3ccc(N4CCOCC4)nc3C)o2)c([N+](=O)[O-])c1 ZINC000539694532 938904320 /nfs/dbraw/zinc/90/43/20/938904320.db2.gz LCZRIQUWYOIALZ-UHFFFAOYSA-N 1 0 424.457 4.016 20 5 HIBDRO COCCCOC1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000539820936 938944088 /nfs/dbraw/zinc/94/40/88/938944088.db2.gz MBAFVQXEYISOME-UHFFFAOYSA-N 1 0 413.518 4.380 20 5 HIBDRO COc1cc(C[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539862342 938960823 /nfs/dbraw/zinc/96/08/23/938960823.db2.gz GLSOJULRJDDVHC-UHFFFAOYSA-N 1 0 412.486 4.185 20 5 HIBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000540001043 939035209 /nfs/dbraw/zinc/03/52/09/939035209.db2.gz BMKLBCWQPXOPLB-UHFFFAOYSA-N 1 0 402.882 4.022 20 5 HIBDRO CC[N@H+](CCC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1)CC1CC1 ZINC000540030421 939044584 /nfs/dbraw/zinc/04/45/84/939044584.db2.gz SRKCEVNPQUSYIN-UHFFFAOYSA-N 1 0 411.344 4.091 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(F)ccc1Br ZINC000540192054 939117302 /nfs/dbraw/zinc/11/73/02/939117302.db2.gz YMVSIUBYRJQOPT-NSHDSACASA-N 1 0 410.243 4.003 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540328019 939196409 /nfs/dbraw/zinc/19/64/09/939196409.db2.gz KUHKKAGLQWUKBI-QGZVFWFLSA-N 1 0 420.469 4.167 20 5 HIBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000540341705 939200372 /nfs/dbraw/zinc/20/03/72/939200372.db2.gz ZETQLPKKAHJYNL-GFCCVEGCSA-N 1 0 420.263 4.006 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540363128 939210883 /nfs/dbraw/zinc/21/08/83/939210883.db2.gz IRQBGPUAKRHSRU-GJZGRUSLSA-N 1 0 401.463 4.068 20 5 HIBDRO CCSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000540403956 939236058 /nfs/dbraw/zinc/23/60/58/939236058.db2.gz WOYUUEQCDCCWMA-CQSZACIVSA-N 1 0 403.504 4.395 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000540422582 939242800 /nfs/dbraw/zinc/24/28/00/939242800.db2.gz FLMTWBSCTFJSOH-LBPRGKRZSA-N 1 0 421.856 4.465 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000540423768 939243827 /nfs/dbraw/zinc/24/38/27/939243827.db2.gz GEKODAHDDNHHFN-KBPBESRZSA-N 1 0 401.438 4.201 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000540440464 939250993 /nfs/dbraw/zinc/25/09/93/939250993.db2.gz WKVVQYDOFGLSTE-CVEARBPZSA-N 1 0 420.469 4.343 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOCC4(CC4)C3)o2)c(Br)c1 ZINC000541247961 939487527 /nfs/dbraw/zinc/48/75/27/939487527.db2.gz YLOYCZIMVDPIED-UHFFFAOYSA-N 1 0 407.264 4.230 20 5 HIBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC000541577994 939559686 /nfs/dbraw/zinc/55/96/86/939559686.db2.gz NHIMNZPZLLTSQV-QGZVFWFLSA-N 1 0 407.417 4.454 20 5 HIBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541585430 939560721 /nfs/dbraw/zinc/56/07/21/939560721.db2.gz DNNPDCSJAGADER-UHFFFAOYSA-N 1 0 410.396 4.209 20 5 HIBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952538 939660641 /nfs/dbraw/zinc/66/06/41/939660641.db2.gz QHEYNBHXDMAZJQ-HOTGVXAUSA-N 1 0 407.474 4.075 20 5 HIBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542312490 939796181 /nfs/dbraw/zinc/79/61/81/939796181.db2.gz ZAKMGCDYYHENSA-DHIUTWEWSA-N 1 0 412.486 4.230 20 5 HIBDRO O=C(C[NH2+][C@@H](c1cccs1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000542509546 939834857 /nfs/dbraw/zinc/83/48/57/939834857.db2.gz CPAFSUIGCZNYHP-MRXNPFEDSA-N 1 0 410.293 4.098 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1ccccc1 ZINC000542544788 939841543 /nfs/dbraw/zinc/84/15/43/939841543.db2.gz MGESYBFUZXBOBU-CHWSQXEVSA-N 1 0 406.280 4.078 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000542918024 939877320 /nfs/dbraw/zinc/87/73/20/939877320.db2.gz VBPVRRQOIXUOPO-AEFFLSMTSA-N 1 0 406.523 4.277 20 5 HIBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](CC2CCCC2)CC1 ZINC000543320687 940029324 /nfs/dbraw/zinc/02/93/24/940029324.db2.gz CUSGLVKVPKQHIC-UHFFFAOYSA-N 1 0 411.955 4.111 20 5 HIBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccccc2)cs1 ZINC000543516336 940092913 /nfs/dbraw/zinc/09/29/13/940092913.db2.gz CPQPJJBSOAKHLN-CQSZACIVSA-N 1 0 424.482 4.367 20 5 HIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000543541817 940099689 /nfs/dbraw/zinc/09/96/89/940099689.db2.gz BIOCWZAEIZINHY-LBPRGKRZSA-N 1 0 417.263 4.301 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000543594119 940124352 /nfs/dbraw/zinc/12/43/52/940124352.db2.gz CYQTVRVFYFGYEB-CQSZACIVSA-N 1 0 407.495 4.460 20 5 HIBDRO COc1cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000544167709 940342189 /nfs/dbraw/zinc/34/21/89/940342189.db2.gz OPMKVLVTWBLCOR-MSOLQXFVSA-N 1 0 414.502 4.477 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544428538 940426397 /nfs/dbraw/zinc/42/63/97/940426397.db2.gz ISSRWGBLDMQIPV-OAHLLOKOSA-N 1 0 417.506 4.333 20 5 HIBDRO Cc1sc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)nc1-c1ccc(Cl)cc1 ZINC000544469442 940444820 /nfs/dbraw/zinc/44/48/20/940444820.db2.gz NZNMPNFPLPQFRH-GFCCVEGCSA-N 1 0 418.906 4.193 20 5 HIBDRO CC1(CO)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000545166456 940553329 /nfs/dbraw/zinc/55/33/29/940553329.db2.gz YTTYBXLZJYOLGE-UHFFFAOYSA-N 1 0 409.280 4.212 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000545227684 940557330 /nfs/dbraw/zinc/55/73/30/940557330.db2.gz NRGFDVSBAMMFRF-QGZVFWFLSA-N 1 0 411.289 4.004 20 5 HIBDRO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545830616 940619380 /nfs/dbraw/zinc/61/93/80/940619380.db2.gz BKCGRVOYKDMDIY-FUHWJXTLSA-N 1 0 413.493 4.038 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000545951006 940664091 /nfs/dbraw/zinc/66/40/91/940664091.db2.gz KEGDWUPVRVGWMJ-CQSZACIVSA-N 1 0 400.866 4.452 20 5 HIBDRO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000546570821 940855396 /nfs/dbraw/zinc/85/53/96/940855396.db2.gz ZYXFDHCJMZWXRK-HNNXBMFYSA-N 1 0 419.522 4.101 20 5 HIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000546760726 940878142 /nfs/dbraw/zinc/87/81/42/940878142.db2.gz GRYKOEOUYRXPNJ-VSKRKVRLSA-N 1 0 416.449 4.342 20 5 HIBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000546761239 940878457 /nfs/dbraw/zinc/87/84/57/940878457.db2.gz XPXBVMCRCFJFRW-UZLBHIALSA-N 1 0 406.866 4.324 20 5 HIBDRO COc1cc(-c2noc(/C=C(\C)c3ccc([N+](=O)[O-])cc3)n2)ccc1OCC[NH+](C)C ZINC000546981003 940936410 /nfs/dbraw/zinc/93/64/10/940936410.db2.gz BQYCMUHDAGGUKX-FYWRMAATSA-N 1 0 424.457 4.154 20 5 HIBDRO CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000549862657 941218967 /nfs/dbraw/zinc/21/89/67/941218967.db2.gz YLQFVFYKBMZJBM-UHFFFAOYSA-N 1 0 414.554 4.066 20 5 HIBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000551039942 941399530 /nfs/dbraw/zinc/39/95/30/941399530.db2.gz QIRVPZYWGODMCQ-INMHGKMJSA-N 1 0 414.449 4.110 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(Br)ccc1F ZINC000551241789 941433993 /nfs/dbraw/zinc/43/39/93/941433993.db2.gz OYASCLSIWHIXGK-LLVKDONJSA-N 1 0 410.243 4.003 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000551274636 941441649 /nfs/dbraw/zinc/44/16/49/941441649.db2.gz SWTSQRDDODPOSN-WWMYMODYSA-N 1 0 413.493 4.397 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1[N+](=O)[O-] ZINC000551812786 941550292 /nfs/dbraw/zinc/55/02/92/941550292.db2.gz XUFBYBGIJGHELU-HUUCEWRRSA-N 1 0 406.504 4.199 20 5 HIBDRO Cc1ccc([C@@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000552044447 941572514 /nfs/dbraw/zinc/57/25/14/941572514.db2.gz CCAVTTRSIFQHJA-PKTZIBPZSA-N 1 0 419.529 4.153 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](CO)CC2)cc1 ZINC000552146386 941593742 /nfs/dbraw/zinc/59/37/42/941593742.db2.gz CYVMVZZWSZJUGC-SFHVURJKSA-N 1 0 406.486 4.042 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3Cn3cnc4ccccc43)co2)cc1 ZINC000552156432 941595086 /nfs/dbraw/zinc/59/50/86/941595086.db2.gz FTOGVZMGIWNSRL-LJQANCHMSA-N 1 0 403.442 4.264 20 5 HIBDRO CC(C)c1nc(C2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)no1 ZINC000552528250 941696236 /nfs/dbraw/zinc/69/62/36/941696236.db2.gz PXRPZDOVGYJNHZ-UHFFFAOYSA-N 1 0 411.462 4.178 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553175298 941844780 /nfs/dbraw/zinc/84/47/80/941844780.db2.gz ZHMQQWXZRGJONM-RCZVLFRGSA-N 1 0 421.541 4.288 20 5 HIBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000553791042 941969824 /nfs/dbraw/zinc/96/98/24/941969824.db2.gz QOARXFOHTNBPOW-IIBYNOLFSA-N 1 0 411.527 4.445 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000553929785 942001183 /nfs/dbraw/zinc/00/11/83/942001183.db2.gz PDBDNIAOFHAQLK-GOSISDBHSA-N 1 0 413.478 4.110 20 5 HIBDRO CC(C)N1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000555128792 942395064 /nfs/dbraw/zinc/39/50/64/942395064.db2.gz JDAFPQNZNZLLFN-NQIIRXRSSA-N 1 0 405.445 4.065 20 5 HIBDRO Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)cc1[N+](=O)[O-] ZINC000555231036 942438834 /nfs/dbraw/zinc/43/88/34/942438834.db2.gz JZCVAKRDSQXULX-IBGZPJMESA-N 1 0 413.493 4.383 20 5 HIBDRO CC(=O)c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000555231682 942438877 /nfs/dbraw/zinc/43/88/77/942438877.db2.gz AIOFTRCYELCOEN-NRFANRHFSA-N 1 0 423.513 4.138 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000555567562 942646884 /nfs/dbraw/zinc/64/68/84/942646884.db2.gz OQFQCUYAKOGPAS-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO CSc1ccc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000556852862 942940108 /nfs/dbraw/zinc/94/01/08/942940108.db2.gz RFBFWINKPRNXNT-HNNXBMFYSA-N 1 0 407.923 4.045 20 5 HIBDRO CSc1ccc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000556852863 942940739 /nfs/dbraw/zinc/94/07/39/942940739.db2.gz RFBFWINKPRNXNT-OAHLLOKOSA-N 1 0 407.923 4.045 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000557263843 943063157 /nfs/dbraw/zinc/06/31/57/943063157.db2.gz ZXXFTUDUYVDYSH-IERDGZPVSA-N 1 0 403.910 4.281 20 5 HIBDRO C[C@H](CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000558419632 943554716 /nfs/dbraw/zinc/55/47/16/943554716.db2.gz DIIJKNQJMHNQEY-CQSZACIVSA-N 1 0 409.408 4.254 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000558417909 943554883 /nfs/dbraw/zinc/55/48/83/943554883.db2.gz KQGDXVDHDNPMCJ-HSZRJFAPSA-N 1 0 414.502 4.309 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000559552697 944002272 /nfs/dbraw/zinc/00/22/72/944002272.db2.gz YDLMFWMEUJXFRX-GUTXKFCHSA-N 1 0 424.339 4.143 20 5 HIBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c2ccccc21 ZINC000559836963 944063974 /nfs/dbraw/zinc/06/39/74/944063974.db2.gz MXTMACKRGIGSMC-AWEZNQCLSA-N 1 0 402.447 4.012 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000560538592 944246405 /nfs/dbraw/zinc/24/64/05/944246405.db2.gz MISWIMZPTSTDFZ-KAGYGMCKSA-N 1 0 411.502 4.173 20 5 HIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000560538593 944246888 /nfs/dbraw/zinc/24/68/88/944246888.db2.gz MISWIMZPTSTDFZ-RCZSKKKRSA-N 1 0 411.502 4.173 20 5 HIBDRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000560901012 944366545 /nfs/dbraw/zinc/36/65/45/944366545.db2.gz SJTJAZBZFMFHMS-GFCCVEGCSA-N 1 0 409.845 4.136 20 5 HIBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000561260027 944531506 /nfs/dbraw/zinc/53/15/06/944531506.db2.gz ZNULVFGXTANVAI-FUHWJXTLSA-N 1 0 409.515 4.090 20 5 HIBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000561283027 944539350 /nfs/dbraw/zinc/53/93/50/944539350.db2.gz NAOGVNCBJBSLQM-WMZOPIPTSA-N 1 0 411.527 4.445 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000561396530 944577635 /nfs/dbraw/zinc/57/76/35/944577635.db2.gz OKCLMDOSNZUAQJ-HSZRJFAPSA-N 1 0 410.445 4.421 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000561417734 944588347 /nfs/dbraw/zinc/58/83/47/944588347.db2.gz RRVRWCUBXNGWFM-PXNSSMCTSA-N 1 0 408.502 4.219 20 5 HIBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764374 944786860 /nfs/dbraw/zinc/78/68/60/944786860.db2.gz JEODSCWPBROCLU-IUKKYPGJSA-N 1 0 422.529 4.009 20 5 HIBDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 ZINC000564255083 945471473 /nfs/dbraw/zinc/47/14/73/945471473.db2.gz YXVVJXXMTXJIHI-UGKGYDQZSA-N 1 0 421.457 4.314 20 5 HIBDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 ZINC000564255080 945472209 /nfs/dbraw/zinc/47/22/09/945472209.db2.gz YXVVJXXMTXJIHI-KNQAVFIVSA-N 1 0 421.457 4.314 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000565090853 945773096 /nfs/dbraw/zinc/77/30/96/945773096.db2.gz IAKZNISRTKZAJI-MMEWPQADSA-N 1 0 414.483 4.452 20 5 HIBDRO C[C@@H](c1ccccc1Cl)N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000565099380 945774393 /nfs/dbraw/zinc/77/43/93/945774393.db2.gz ZILROVGHWVGPJR-LBPRGKRZSA-N 1 0 403.895 4.136 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000565141552 945785950 /nfs/dbraw/zinc/78/59/50/945785950.db2.gz KJRZTIAYXHZXGZ-GOEBONIOSA-N 1 0 409.408 4.323 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(Cn4cncn4)cc3)s2)cc1 ZINC000565671633 945863559 /nfs/dbraw/zinc/86/35/59/945863559.db2.gz PNIWWPWGZNNQMP-UHFFFAOYSA-N 1 0 405.483 4.253 20 5 HIBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000567272832 946284016 /nfs/dbraw/zinc/28/40/16/946284016.db2.gz SGOJPZVWBGEPBM-ILWGZMRPSA-N 1 0 422.529 4.099 20 5 HIBDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000568328281 946509879 /nfs/dbraw/zinc/50/98/79/946509879.db2.gz OALMDMDULZAEER-WZONZLPQSA-N 1 0 419.529 4.220 20 5 HIBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000568436640 946545813 /nfs/dbraw/zinc/54/58/13/946545813.db2.gz WPIWAAPDIFWZBK-LJQANCHMSA-N 1 0 423.847 4.022 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000568569095 946605666 /nfs/dbraw/zinc/60/56/66/946605666.db2.gz CNZQPMACGYYOLP-MRXNPFEDSA-N 1 0 422.485 4.123 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)o2)c([N+](=O)[O-])c1 ZINC000570129210 947108754 /nfs/dbraw/zinc/10/87/54/947108754.db2.gz YCNXBZAOZQXCGT-GOSISDBHSA-N 1 0 414.380 4.143 20 5 HIBDRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570328537 947206077 /nfs/dbraw/zinc/20/60/77/947206077.db2.gz NRZVHODJBBSXLT-ICSRJNTNSA-N 1 0 410.518 4.257 20 5 HIBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000571567722 947706572 /nfs/dbraw/zinc/70/65/72/947706572.db2.gz ZIRXVZSCIXUJDL-AWEZNQCLSA-N 1 0 405.882 4.389 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000571827988 947796521 /nfs/dbraw/zinc/79/65/21/947796521.db2.gz FGSOMHZKJVWWGD-RNODOKPDSA-N 1 0 401.438 4.201 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000572506739 947919535 /nfs/dbraw/zinc/91/95/35/947919535.db2.gz LKTYVFLJUFYHID-QFIPXVFZSA-N 1 0 407.518 4.049 20 5 HIBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000572513626 947921563 /nfs/dbraw/zinc/92/15/63/947921563.db2.gz WWISCIZZSYRJRD-CZUORRHYSA-N 1 0 414.487 4.171 20 5 HIBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000574326470 948413602 /nfs/dbraw/zinc/41/36/02/948413602.db2.gz NGXVEAMIPNZIFS-XLIONFOSSA-N 1 0 410.518 4.152 20 5 HIBDRO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574438214 948442904 /nfs/dbraw/zinc/44/29/04/948442904.db2.gz GPMCJXCPMFGEBE-GOEBONIOSA-N 1 0 421.419 4.254 20 5 HIBDRO C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574743584 948519506 /nfs/dbraw/zinc/51/95/06/948519506.db2.gz IHGKUAHJZNPIPO-MGPUTAFESA-N 1 0 401.894 4.305 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629160 719068480 /nfs/dbraw/zinc/06/84/80/719068480.db2.gz WDDAILJYIXZUMD-YOEHRIQHSA-N 1 0 407.301 4.397 20 5 HIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629284 719112703 /nfs/dbraw/zinc/11/27/03/719112703.db2.gz RROKHARORBDKHE-UZLBHIALSA-N 1 0 423.904 4.292 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(Cl)c2[N+](=O)[O-])CC3)cs1 ZINC001164693982 719803991 /nfs/dbraw/zinc/80/39/91/719803991.db2.gz WKPPHTGHOSLWGT-UHFFFAOYSA-N 1 0 407.927 4.043 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)cc(Cl)c2[N+](=O)[O-])CC3)cs1 ZINC001164693070 719807336 /nfs/dbraw/zinc/80/73/36/719807336.db2.gz PQJXQXBEFPMILV-UHFFFAOYSA-N 1 0 421.954 4.352 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC3)cs1 ZINC001164693900 719809503 /nfs/dbraw/zinc/80/95/03/719809503.db2.gz SEDHJFJHPBGQRD-UHFFFAOYSA-N 1 0 401.536 4.007 20 5 HIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164795486 721499148 /nfs/dbraw/zinc/49/91/48/721499148.db2.gz IVMSDPSKCCTYCE-UHFFFAOYSA-N 1 0 417.513 4.419 20 5 HIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165020539 721808571 /nfs/dbraw/zinc/80/85/71/721808571.db2.gz FYIRSWNVTBQURU-KVSKMBFKSA-N 1 0 415.925 4.084 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]21 ZINC001165027450 721809608 /nfs/dbraw/zinc/80/96/08/721809608.db2.gz UTEAEBVKYFBFAA-VOQZNFBZSA-N 1 0 417.513 4.275 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]21 ZINC001165028287 721810855 /nfs/dbraw/zinc/81/08/55/721810855.db2.gz XDQJSHKZBIZYNJ-UCNVEGJOSA-N 1 0 417.513 4.275 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000436074413 861354327 /nfs/dbraw/zinc/35/43/27/861354327.db2.gz XTNXJVSQHLVDRE-UHFFFAOYSA-N 1 0 413.521 4.453 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000010917315 845726740 /nfs/dbraw/zinc/72/67/40/845726740.db2.gz DGNMBZHMEGFWSM-IBGZPJMESA-N 1 0 417.531 4.138 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccc(CNc3cc(C(F)(F)F)ncc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000436312582 861616020 /nfs/dbraw/zinc/61/60/20/861616020.db2.gz NNSMKEDGOLGCLB-KBPBESRZSA-N 1 0 424.423 4.230 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025858747 847046794 /nfs/dbraw/zinc/04/67/94/847046794.db2.gz JQIPTDCXDSGSJF-LJQANCHMSA-N 1 0 405.882 4.070 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000026224887 847106416 /nfs/dbraw/zinc/10/64/16/847106416.db2.gz BHSCLGZHEPVASA-UHFFFAOYSA-N 1 0 406.280 4.126 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026225775 847106464 /nfs/dbraw/zinc/10/64/64/847106464.db2.gz DNUDYPDKTMPSMD-UHFFFAOYSA-N 1 0 411.380 4.083 20 5 HIBDRO O=C(CC[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026227634 847107384 /nfs/dbraw/zinc/10/73/84/847107384.db2.gz YWFRGNLSBAQAHV-UHFFFAOYSA-N 1 0 410.499 4.413 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000026251019 847112164 /nfs/dbraw/zinc/11/21/64/847112164.db2.gz XGVPZCWTZRQBHK-UHFFFAOYSA-N 1 0 412.309 4.188 20 5 HIBDRO CCc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000026300551 847120440 /nfs/dbraw/zinc/12/04/40/847120440.db2.gz HHOCIZHCWBKDFV-MGPUTAFESA-N 1 0 401.532 4.057 20 5 HIBDRO COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000027667645 847334166 /nfs/dbraw/zinc/33/41/66/847334166.db2.gz OHBQCECGVPIUEF-FQEVSTJZSA-N 1 0 417.893 4.214 20 5 HIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000030509471 847724644 /nfs/dbraw/zinc/72/46/44/847724644.db2.gz NPWFTCNIXBVPON-RYUDHWBXSA-N 1 0 422.279 4.044 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)cccc1[N+](=O)[O-] ZINC000030511608 847725607 /nfs/dbraw/zinc/72/56/07/847725607.db2.gz QTTPWTPHSOWPDF-KRWDZBQOSA-N 1 0 423.469 4.330 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000051133723 849435682 /nfs/dbraw/zinc/43/56/82/849435682.db2.gz ZSAVHBUYKDXVKJ-WMZHIEFXSA-N 1 0 411.502 4.332 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000055151911 849978429 /nfs/dbraw/zinc/97/84/29/849978429.db2.gz RGFJAMHLFMWYSS-CABCVRRESA-N 1 0 401.463 4.068 20 5 HIBDRO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])cc1OC ZINC000055448795 850026809 /nfs/dbraw/zinc/02/68/09/850026809.db2.gz UQCNLIPYDAQPFW-HNNXBMFYSA-N 1 0 413.474 4.239 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000056170615 850270046 /nfs/dbraw/zinc/27/00/46/850270046.db2.gz YQDSOUJYQKXOTN-HUUCEWRRSA-N 1 0 401.463 4.068 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000056326380 850323921 /nfs/dbraw/zinc/32/39/21/850323921.db2.gz TUFCQGMBALUVJT-UHFFFAOYSA-N 1 0 408.502 4.086 20 5 HIBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437010527 862185899 /nfs/dbraw/zinc/18/58/99/862185899.db2.gz DCRGWBBCBIZUTM-INIZCTEOSA-N 1 0 421.419 4.208 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061733069 851432533 /nfs/dbraw/zinc/43/25/33/851432533.db2.gz VBGPSPFUMUAPQB-UHFFFAOYSA-N 1 0 412.490 4.301 20 5 HIBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000437058719 862255090 /nfs/dbraw/zinc/25/50/90/862255090.db2.gz XPVWWGQYJOURRK-QGZVFWFLSA-N 1 0 409.511 4.404 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064419223 851893195 /nfs/dbraw/zinc/89/31/95/851893195.db2.gz CMQMUAKTEXGELR-HNNXBMFYSA-N 1 0 419.909 4.174 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000437110383 862297558 /nfs/dbraw/zinc/29/75/58/862297558.db2.gz VTNCMGACASTILK-MNOVXSKESA-N 1 0 412.309 4.487 20 5 HIBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000064738509 851973627 /nfs/dbraw/zinc/97/36/27/851973627.db2.gz SLWCVARFXWBKMX-UHFFFAOYSA-N 1 0 424.545 4.399 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065086689 852059465 /nfs/dbraw/zinc/05/94/65/852059465.db2.gz AIJGRVXTHNHYSN-UHFFFAOYSA-N 1 0 422.510 4.244 20 5 HIBDRO C[N@H+](CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000065096931 852062426 /nfs/dbraw/zinc/06/24/26/852062426.db2.gz VMMLPLLPZOMPKU-UHFFFAOYSA-N 1 0 402.520 4.103 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065101914 852063895 /nfs/dbraw/zinc/06/38/95/852063895.db2.gz DULGTHBHSCMGAN-HNNXBMFYSA-N 1 0 402.520 4.103 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437139771 862331091 /nfs/dbraw/zinc/33/10/91/862331091.db2.gz ZCCCHBQSAQMADF-UHFFFAOYSA-N 1 0 421.419 4.316 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065892486 852306115 /nfs/dbraw/zinc/30/61/15/852306115.db2.gz JMPYAABJRLJLRQ-HXUWFJFHSA-N 1 0 413.493 4.383 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000071954865 852444958 /nfs/dbraw/zinc/44/49/58/852444958.db2.gz KULGFWJNAXHWHI-QGZVFWFLSA-N 1 0 422.529 4.331 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000072006897 852462289 /nfs/dbraw/zinc/46/22/89/852462289.db2.gz UYXSDNSZMLBGAN-NRFANRHFSA-N 1 0 413.543 4.276 20 5 HIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000106276035 852767267 /nfs/dbraw/zinc/76/72/67/852767267.db2.gz KXPCOAFGIRWYDN-HUUCEWRRSA-N 1 0 401.463 4.068 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])o1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000109371131 852960674 /nfs/dbraw/zinc/96/06/74/852960674.db2.gz GSLHRHAGFXDCSX-UHFFFAOYSA-N 1 0 412.273 4.233 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000109849172 853022487 /nfs/dbraw/zinc/02/24/87/853022487.db2.gz WECMLUZPNYUSTP-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000115859983 853268599 /nfs/dbraw/zinc/26/85/99/853268599.db2.gz NWTSFECTOOSTRO-IAGOWNOFSA-N 1 0 411.502 4.011 20 5 HIBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000142822834 853502058 /nfs/dbraw/zinc/50/20/58/853502058.db2.gz QLRNEHNJSXQZSC-INIZCTEOSA-N 1 0 416.547 4.119 20 5 HIBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000195695813 853763636 /nfs/dbraw/zinc/76/36/36/853763636.db2.gz IPKILBATQZNUCB-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000195732675 853784123 /nfs/dbraw/zinc/78/41/23/853784123.db2.gz HCVOOTJMEZWNQQ-KBXCAEBGSA-N 1 0 412.408 4.436 20 5 HIBDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000236679362 853910581 /nfs/dbraw/zinc/91/05/81/853910581.db2.gz WNXULKADQTVKLJ-HZPDHXFCSA-N 1 0 401.532 4.496 20 5 HIBDRO CCCC(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236759746 853920280 /nfs/dbraw/zinc/92/02/80/853920280.db2.gz VPQWAWZWIRUKDX-UHFFFAOYSA-N 1 0 407.474 4.024 20 5 HIBDRO CCCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236880241 853931864 /nfs/dbraw/zinc/93/18/64/853931864.db2.gz VQGJIRHQZCQSSR-QFIPXVFZSA-N 1 0 410.518 4.482 20 5 HIBDRO COc1ccc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237205531 853982540 /nfs/dbraw/zinc/98/25/40/853982540.db2.gz HDNJNCJWARGFFL-PKTZIBPZSA-N 1 0 414.502 4.213 20 5 HIBDRO COc1cccc([C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)N(C)C)c1 ZINC000237318463 854005750 /nfs/dbraw/zinc/00/57/50/854005750.db2.gz WJNTZDKNRLJECG-FQEVSTJZSA-N 1 0 412.515 4.119 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237350016 854010389 /nfs/dbraw/zinc/01/03/89/854010389.db2.gz VMXKLPHDBDFDON-HXUWFJFHSA-N 1 0 422.485 4.083 20 5 HIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000237426589 854030632 /nfs/dbraw/zinc/03/06/32/854030632.db2.gz ZPPNLSYXFPSKIF-CQSZACIVSA-N 1 0 413.499 4.456 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCCc3nc(C(C)C)no3)o2)c([N+](=O)[O-])c1 ZINC000237426605 854030717 /nfs/dbraw/zinc/03/07/17/854030717.db2.gz WBKGKOJVAKQVAP-UHFFFAOYSA-N 1 0 400.435 4.092 20 5 HIBDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000237475934 854041282 /nfs/dbraw/zinc/04/12/82/854041282.db2.gz PQCXYJWNTAZDNX-UHFFFAOYSA-N 1 0 421.453 4.024 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237576285 854057646 /nfs/dbraw/zinc/05/76/46/854057646.db2.gz GTKIEPVRDSMLFH-PDFOZTTASA-N 1 0 408.502 4.215 20 5 HIBDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237641448 854066940 /nfs/dbraw/zinc/06/69/40/854066940.db2.gz ABFSOQHTCKLGQL-HXUWFJFHSA-N 1 0 423.492 4.201 20 5 HIBDRO C[C@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@@H+]1Cc1ccccc1 ZINC000237698351 854077962 /nfs/dbraw/zinc/07/79/62/854077962.db2.gz TXZMYTNWWQTPTO-QFBILLFUSA-N 1 0 408.527 4.471 20 5 HIBDRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000237920153 854119184 /nfs/dbraw/zinc/11/91/84/854119184.db2.gz RPCZYUJWFQAGMK-ZBFHGGJFSA-N 1 0 403.866 4.174 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CCn2cnnc2C2CC2)ccc1Oc1ccccc1Cl ZINC000237932774 854121793 /nfs/dbraw/zinc/12/17/93/854121793.db2.gz IKPKRJKBVOEDMU-UHFFFAOYSA-N 1 0 413.865 4.299 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNC3CC[NH+](Cc4ccccc4)CC3)cs2)c1 ZINC000238005576 854132541 /nfs/dbraw/zinc/13/25/41/854132541.db2.gz DULJLYUOASRAMU-UHFFFAOYSA-N 1 0 408.527 4.473 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c3cnccc23)C[C@@H](C)O1 ZINC000301106930 854297765 /nfs/dbraw/zinc/29/77/65/854297765.db2.gz PYVGICOOFFNNAC-IAGOWNOFSA-N 1 0 406.486 4.364 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000301273679 854344899 /nfs/dbraw/zinc/34/48/99/854344899.db2.gz KZOYLMDAJOJJMP-NSHDSACASA-N 1 0 407.820 4.180 20 5 HIBDRO CC(C)NC(=O)c1ccc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301321294 854358151 /nfs/dbraw/zinc/35/81/51/854358151.db2.gz SWBHYHNQZLWGPX-KRWDZBQOSA-N 1 0 410.518 4.371 20 5 HIBDRO O=[N+]([O-])c1cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(Br)c1 ZINC000301579364 854423285 /nfs/dbraw/zinc/42/32/85/854423285.db2.gz ZVOFXEQQMMKDQN-MQVJKMGUSA-N 1 0 417.307 4.360 20 5 HIBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1[C@H]1CCC[NH2+]C1 ZINC000301824931 854472277 /nfs/dbraw/zinc/47/22/77/854472277.db2.gz LZKQNCJTPMPIQM-NSHDSACASA-N 1 0 415.441 4.404 20 5 HIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301860421 854477448 /nfs/dbraw/zinc/47/74/48/854477448.db2.gz DNYKQQCSRWRXBH-UHFFFAOYSA-N 1 0 419.323 4.101 20 5 HIBDRO Cc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302202169 854549076 /nfs/dbraw/zinc/54/90/76/854549076.db2.gz VTIPTUKNBDKUTM-HOTGVXAUSA-N 1 0 407.474 4.072 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)c(NCc2ccccc2C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000302297273 854560492 /nfs/dbraw/zinc/56/04/92/854560492.db2.gz OYSQKWXHCIXGHL-UHFFFAOYSA-N 1 0 410.301 4.470 20 5 HIBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC000302955795 854695573 /nfs/dbraw/zinc/69/55/73/854695573.db2.gz CZOLYYRBFDKVSW-IAGOWNOFSA-N 1 0 411.502 4.011 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303746238 855168355 /nfs/dbraw/zinc/16/83/55/855168355.db2.gz KBNFZHCDCMAABJ-AUSIDOKSSA-N 1 0 424.545 4.298 20 5 HIBDRO CCOc1c(Br)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000327579262 855418140 /nfs/dbraw/zinc/41/81/40/855418140.db2.gz DGQRRQNUFQPRPT-UHFFFAOYSA-N 1 0 409.280 4.363 20 5 HIBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426044425 856067936 /nfs/dbraw/zinc/06/79/36/856067936.db2.gz SIBOJUOHZRCAPR-JOCHJYFZSA-N 1 0 408.502 4.106 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426248104 856201122 /nfs/dbraw/zinc/20/11/22/856201122.db2.gz KDJUFURCANKNJH-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@]3(CO)C[C@H]3c3ccc(F)cc3)cs2)c1 ZINC000428538280 857251026 /nfs/dbraw/zinc/25/10/26/857251026.db2.gz PSNXFXHPXPUMRB-FPOVZHCZSA-N 1 0 413.474 4.113 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)cs2)c1 ZINC000428538282 857251418 /nfs/dbraw/zinc/25/14/18/857251418.db2.gz PSNXFXHPXPUMRB-TZIWHRDSSA-N 1 0 413.474 4.113 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000429422415 857657776 /nfs/dbraw/zinc/65/77/76/857657776.db2.gz ZENNVPUDWCIJHT-HOCLYGCPSA-N 1 0 407.308 4.168 20 5 HIBDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000429460323 857682598 /nfs/dbraw/zinc/68/25/98/857682598.db2.gz XVNJEOLDRPZUSR-OAHLLOKOSA-N 1 0 409.515 4.433 20 5 HIBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2)C1 ZINC000430143987 858051867 /nfs/dbraw/zinc/05/18/67/858051867.db2.gz CUBDNDRITFNVGW-IBGZPJMESA-N 1 0 420.307 4.145 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)cc2[N+](=O)[O-])n1 ZINC000430420476 858152804 /nfs/dbraw/zinc/15/28/04/858152804.db2.gz BDLQUUZRCKYSEX-HNNXBMFYSA-N 1 0 420.560 4.067 20 5 HIBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000430874656 858349997 /nfs/dbraw/zinc/34/99/97/858349997.db2.gz FZRDCWIAMVEVSX-GOSISDBHSA-N 1 0 405.454 4.340 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431169171 858483961 /nfs/dbraw/zinc/48/39/61/858483961.db2.gz ROQCBHNFHHSYGB-UHFFFAOYSA-N 1 0 420.307 4.128 20 5 HIBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437694288 863031411 /nfs/dbraw/zinc/03/14/11/863031411.db2.gz ANAHYPWWVKOUNL-IBGZPJMESA-N 1 0 414.531 4.167 20 5 HIBDRO Cc1ccc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000432477570 859183532 /nfs/dbraw/zinc/18/35/32/859183532.db2.gz MZVNVWKHJALINX-UHFFFAOYSA-N 1 0 408.502 4.423 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433080801 859514889 /nfs/dbraw/zinc/51/48/89/859514889.db2.gz DUNPGRPVUYQZAW-QGZVFWFLSA-N 1 0 408.907 4.164 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433168081 859550745 /nfs/dbraw/zinc/55/07/45/859550745.db2.gz QGCACTVPSFXKTJ-RTWAWAEBSA-N 1 0 409.486 4.225 20 5 HIBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000467720679 881519285 /nfs/dbraw/zinc/51/92/85/881519285.db2.gz BODPUPNRVFUBMW-CQSZACIVSA-N 1 0 419.934 4.423 20 5 HIBDRO COc1cccc(C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000435870210 861129908 /nfs/dbraw/zinc/12/99/08/861129908.db2.gz DZGQCFSJYHNOIN-UHFFFAOYSA-N 1 0 415.515 4.066 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000437838509 863194482 /nfs/dbraw/zinc/19/44/82/863194482.db2.gz UDRYGRJELCQTBA-LJQANCHMSA-N 1 0 403.526 4.208 20 5 HIBDRO C[C@H](CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+](C)Cc1ccccc1 ZINC000437973312 863341815 /nfs/dbraw/zinc/34/18/15/863341815.db2.gz YVCWUXIFPBSCAP-GOSISDBHSA-N 1 0 410.518 4.179 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000438319325 863798844 /nfs/dbraw/zinc/79/88/44/863798844.db2.gz GZVSCQVWXMAILB-NRFANRHFSA-N 1 0 400.523 4.066 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1O ZINC000438337317 863810851 /nfs/dbraw/zinc/81/08/51/863810851.db2.gz XVJMLPPYPKFNBW-KRWDZBQOSA-N 1 0 409.280 4.210 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2[N+](=O)[O-])n1 ZINC000438602045 864028040 /nfs/dbraw/zinc/02/80/40/864028040.db2.gz QKFJLPOGXRTUFF-UHFFFAOYSA-N 1 0 420.560 4.067 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000438909357 864388766 /nfs/dbraw/zinc/38/87/66/864388766.db2.gz CSFMLJPBCNJBBE-BDTNDASRSA-N 1 0 404.470 4.105 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000438952838 864423582 /nfs/dbraw/zinc/42/35/82/864423582.db2.gz NFUUUOGNVUWGLE-IBGZPJMESA-N 1 0 401.894 4.197 20 5 HIBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1(C)C ZINC000439510079 864857762 /nfs/dbraw/zinc/85/77/62/864857762.db2.gz FWIDPTQBEAELLW-IPMKNSEASA-N 1 0 417.893 4.331 20 5 HIBDRO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000439559147 864884654 /nfs/dbraw/zinc/88/46/54/864884654.db2.gz BPNFUNRQRPMWMZ-OLZOCXBDSA-N 1 0 419.503 4.073 20 5 HIBDRO COc1ccc(NC(=O)[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000467973536 881829617 /nfs/dbraw/zinc/82/96/17/881829617.db2.gz NSHKVEFDFJXNOU-QFIPXVFZSA-N 1 0 405.454 4.116 20 5 HIBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000439764063 865088990 /nfs/dbraw/zinc/08/89/90/865088990.db2.gz BNLXIKXDXYRLTI-MRXNPFEDSA-N 1 0 410.518 4.243 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000439884213 865195942 /nfs/dbraw/zinc/19/59/42/865195942.db2.gz SPHZVSHHAYBSAX-FUHWJXTLSA-N 1 0 412.490 4.026 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000439884861 865196518 /nfs/dbraw/zinc/19/65/18/865196518.db2.gz XDWIBPWGAIOVEC-SJLPKXTDSA-N 1 0 412.490 4.168 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000440925105 866021409 /nfs/dbraw/zinc/02/14/09/866021409.db2.gz KXPCHTBPXJWUHQ-XJKSGUPXSA-N 1 0 415.877 4.396 20 5 HIBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000441074879 866167015 /nfs/dbraw/zinc/16/70/15/866167015.db2.gz ZGVHCGDWWHSJPK-UHFFFAOYSA-N 1 0 408.483 4.455 20 5 HIBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441266096 866340917 /nfs/dbraw/zinc/34/09/17/866340917.db2.gz UKIPWWWNEVZQQX-XIKOKIGWSA-N 1 0 407.392 4.296 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000443201506 867872733 /nfs/dbraw/zinc/87/27/33/867872733.db2.gz VTNCMGACASTILK-WDEREUQCSA-N 1 0 412.309 4.487 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000443643537 868232052 /nfs/dbraw/zinc/23/20/52/868232052.db2.gz BIFUIGVKHPSYHH-AWEZNQCLSA-N 1 0 412.421 4.083 20 5 HIBDRO C[N@H+](Cc1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000443696274 868294574 /nfs/dbraw/zinc/29/45/74/868294574.db2.gz FCSSQPGHZPUOBP-UHFFFAOYSA-N 1 0 417.531 4.301 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000443947133 868483648 /nfs/dbraw/zinc/48/36/48/868483648.db2.gz NXRHWJLUKKWTEC-UHFFFAOYSA-N 1 0 406.552 4.085 20 5 HIBDRO CCNc1ccc(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000444011829 868535223 /nfs/dbraw/zinc/53/52/23/868535223.db2.gz KLTCIWNEWXMFPK-IBGZPJMESA-N 1 0 410.518 4.011 20 5 HIBDRO C[C@@H](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+](C)Cc1ccccc1 ZINC000444108948 868622331 /nfs/dbraw/zinc/62/23/31/868622331.db2.gz KTBWQNOTRRZRRM-SFHVURJKSA-N 1 0 413.521 4.322 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444177338 868650699 /nfs/dbraw/zinc/65/06/99/868650699.db2.gz UZYJEEGTGNGAMF-FUHWJXTLSA-N 1 0 408.458 4.245 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@@H+]1Cc1ccccc1 ZINC000444222766 868674441 /nfs/dbraw/zinc/67/44/41/868674441.db2.gz GKTBDKFBHCWMPW-XLIONFOSSA-N 1 0 411.505 4.074 20 5 HIBDRO COc1cccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000444725696 868978872 /nfs/dbraw/zinc/97/88/72/868978872.db2.gz HKPHKKVKJRKMBE-UHFFFAOYSA-N 1 0 419.481 4.262 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000444911452 869098137 /nfs/dbraw/zinc/09/81/37/869098137.db2.gz ZPGFCVKFIGYUNC-MRXNPFEDSA-N 1 0 404.511 4.112 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445001583 869156376 /nfs/dbraw/zinc/15/63/76/869156376.db2.gz VLVSVDOGNUDRRP-OALUTQOASA-N 1 0 417.553 4.408 20 5 HIBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)CC1 ZINC000445196050 869270318 /nfs/dbraw/zinc/27/03/18/869270318.db2.gz WZIBKXNFGSOHIG-LJQANCHMSA-N 1 0 417.553 4.265 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000445947168 869908020 /nfs/dbraw/zinc/90/80/20/869908020.db2.gz RNAFPMIOCSHYCP-DEOSSOPVSA-N 1 0 407.514 4.042 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445989139 869953872 /nfs/dbraw/zinc/95/38/72/869953872.db2.gz ROOCYZQLKUVFOS-KURKYZTESA-N 1 0 424.419 4.279 20 5 HIBDRO COc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000446853378 870774887 /nfs/dbraw/zinc/77/48/87/870774887.db2.gz UVQJIQYKVYNSGE-UHFFFAOYSA-N 1 0 410.392 4.418 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(c3ccc4c(c3)OCO4)CCOCC1)CCC2 ZINC000447526151 871390434 /nfs/dbraw/zinc/39/04/34/871390434.db2.gz AUDXZQRTHQUELB-HXUWFJFHSA-N 1 0 410.470 4.039 20 5 HIBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1OCC(=O)N(C)C ZINC000447528936 871392863 /nfs/dbraw/zinc/39/28/63/871392863.db2.gz KAQYHPYTRIXFMI-SFTDATJTSA-N 1 0 411.502 4.180 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000447529259 871393832 /nfs/dbraw/zinc/39/38/32/871393832.db2.gz LABULNAASSFEGD-MOPGFXCFSA-N 1 0 418.925 4.266 20 5 HIBDRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447530070 871394549 /nfs/dbraw/zinc/39/45/49/871394549.db2.gz NDSLVARWRYMRRC-QRWLVFNGSA-N 1 0 400.475 4.357 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccnc2Oc2cccc(F)c2)n1 ZINC000447546567 871417847 /nfs/dbraw/zinc/41/78/47/871417847.db2.gz XBQGLFWVWUIMCO-MOPGFXCFSA-N 1 0 411.437 4.391 20 5 HIBDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1OC(F)F ZINC000447579657 871480500 /nfs/dbraw/zinc/48/05/00/871480500.db2.gz LDJUVPZCAKRDIA-CABCVRRESA-N 1 0 410.421 4.065 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000447673601 871602363 /nfs/dbraw/zinc/60/23/63/871602363.db2.gz UVQOUQODLMZZDR-LBPRGKRZSA-N 1 0 408.371 4.099 20 5 HIBDRO C[NH+](C)CCCC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000447681636 871613745 /nfs/dbraw/zinc/61/37/45/871613745.db2.gz QBHFBWHFVNWDKT-UHFFFAOYSA-N 1 0 410.387 4.202 20 5 HIBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000447723274 871668130 /nfs/dbraw/zinc/66/81/30/871668130.db2.gz OARPNACFSXYFMA-HNNXBMFYSA-N 1 0 421.906 4.364 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000447728534 871677279 /nfs/dbraw/zinc/67/72/79/871677279.db2.gz LVGCKMWGEDMQMF-QGZVFWFLSA-N 1 0 401.488 4.344 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447805396 871739515 /nfs/dbraw/zinc/73/95/15/871739515.db2.gz IXSZCIKAXCDZJP-IBGZPJMESA-N 1 0 424.545 4.065 20 5 HIBDRO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460347786 872966010 /nfs/dbraw/zinc/96/60/10/872966010.db2.gz CKWWXWJODMVNNG-ZDUSSCGKSA-N 1 0 401.417 4.023 20 5 HIBDRO Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1Br ZINC000468592331 882680086 /nfs/dbraw/zinc/68/00/86/882680086.db2.gz USYBXYHTYODOKB-UHFFFAOYSA-N 1 0 415.291 4.356 20 5 HIBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000461215263 874218967 /nfs/dbraw/zinc/21/89/67/874218967.db2.gz AYLQKGFOICVLOS-UHFFFAOYSA-N 1 0 410.518 4.059 20 5 HIBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000468692691 882816388 /nfs/dbraw/zinc/81/63/88/882816388.db2.gz FUYOYBQYFPHEED-FQEVSTJZSA-N 1 0 414.502 4.431 20 5 HIBDRO Cc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461443324 874499219 /nfs/dbraw/zinc/49/92/19/874499219.db2.gz ODXORECBPOEJPJ-OAQYLSRUSA-N 1 0 403.486 4.031 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468747949 882841436 /nfs/dbraw/zinc/84/14/36/882841436.db2.gz GQFHNTNPCSVUEN-UVTDQMKNSA-N 1 0 403.866 4.279 20 5 HIBDRO CCOC(=O)c1csc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000468841068 882885804 /nfs/dbraw/zinc/88/58/04/882885804.db2.gz CZYNOMUGTSWDMZ-HXUWFJFHSA-N 1 0 411.483 4.150 20 5 HIBDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1=O ZINC000462752662 875818159 /nfs/dbraw/zinc/81/81/59/875818159.db2.gz BJEVTPCUDVZUMJ-FRFSOERESA-N 1 0 415.877 4.139 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000462755173 875819293 /nfs/dbraw/zinc/81/92/93/875819293.db2.gz LBNYPWAXJLZXOY-WEYGHZABSA-N 1 0 417.465 4.101 20 5 HIBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000462871497 875901079 /nfs/dbraw/zinc/90/10/79/875901079.db2.gz QCRPSISQDCGMLT-SAZUREKKSA-N 1 0 421.291 4.410 20 5 HIBDRO CC(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000463100196 876134822 /nfs/dbraw/zinc/13/48/22/876134822.db2.gz WSZKOXHYKNBTQA-QGZVFWFLSA-N 1 0 401.429 4.100 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccsc1 ZINC000463105223 876141837 /nfs/dbraw/zinc/14/18/37/876141837.db2.gz FZDBIRBDLYAJAN-MRXNPFEDSA-N 1 0 415.437 4.488 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463438251 876494887 /nfs/dbraw/zinc/49/48/87/876494887.db2.gz WMGNRQKIOHHXFH-GOSISDBHSA-N 1 0 407.392 4.181 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463441113 876498839 /nfs/dbraw/zinc/49/88/39/876498839.db2.gz HXPFRIKWYZJFHJ-UZUQRXQVSA-N 1 0 422.485 4.023 20 5 HIBDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000469010211 883077904 /nfs/dbraw/zinc/07/79/04/883077904.db2.gz OASXSNBKUVCVBT-OJEAVSNDSA-N 1 0 411.502 4.131 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000463964507 877089147 /nfs/dbraw/zinc/08/91/47/877089147.db2.gz OHBJAGPRFLWKPO-HNAYVOBHSA-N 1 0 402.520 4.478 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000464769896 878012686 /nfs/dbraw/zinc/01/26/86/878012686.db2.gz BBJYZUVZPVJAEV-UHFFFAOYSA-N 1 0 414.487 4.182 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464840397 878109204 /nfs/dbraw/zinc/10/92/04/878109204.db2.gz UNGAWJZUTMTHJG-PKOBYXMFSA-N 1 0 421.501 4.160 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)o2)c1 ZINC000503437576 912445328 /nfs/dbraw/zinc/44/53/28/912445328.db2.gz MUDDOQNSFMAXLO-SFHVURJKSA-N 1 0 421.501 4.205 20 5 HIBDRO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000503536050 912596254 /nfs/dbraw/zinc/59/62/54/912596254.db2.gz ABLFIAJXIOBKRO-UHFFFAOYSA-N 1 0 416.444 4.021 20 5 HIBDRO COc1cc(C[N@H+](C)CC[C@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467383968 881165744 /nfs/dbraw/zinc/16/57/44/881165744.db2.gz VKJMFYSKJKBICP-HXUWFJFHSA-N 1 0 400.475 4.183 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(S(=O)(=O)CC)c1 ZINC000467420853 881211707 /nfs/dbraw/zinc/21/17/07/881211707.db2.gz VHSCLVLITZDQNP-INIZCTEOSA-N 1 0 408.545 4.049 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000470136359 884399701 /nfs/dbraw/zinc/39/97/01/884399701.db2.gz GHVYQNYZHKSVNH-BEFAXECRSA-N 1 0 400.454 4.251 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000470179228 884463338 /nfs/dbraw/zinc/46/33/38/884463338.db2.gz UTFDIICLJNOJGE-RGEXLXHISA-N 1 0 407.514 4.335 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000470233961 884561592 /nfs/dbraw/zinc/56/15/92/884561592.db2.gz SFMQOVSCGFBDDZ-UHFFFAOYSA-N 1 0 414.428 4.138 20 5 HIBDRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000503933608 912870654 /nfs/dbraw/zinc/87/06/54/912870654.db2.gz XFHWGUYKPRIGKG-IEBWSBKVSA-N 1 0 406.486 4.352 20 5 HIBDRO COc1ccc(C[NH2+]CC[C@@H]2CCCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503933026 912870838 /nfs/dbraw/zinc/87/08/38/912870838.db2.gz VRNAGFADQQHKEI-FQEVSTJZSA-N 1 0 400.475 4.231 20 5 HIBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470815034 885303330 /nfs/dbraw/zinc/30/33/30/885303330.db2.gz XOPRQJLIDHNTQG-QGZVFWFLSA-N 1 0 421.419 4.350 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470926156 885430139 /nfs/dbraw/zinc/43/01/39/885430139.db2.gz OAGMJGZWSBPJKR-IBGZPJMESA-N 1 0 415.465 4.052 20 5 HIBDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000471038016 885547582 /nfs/dbraw/zinc/54/75/82/885547582.db2.gz IOJHSTACSUYUOU-CVDCTZTESA-N 1 0 424.545 4.247 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000471113310 885648574 /nfs/dbraw/zinc/64/85/74/885648574.db2.gz RBFFNQALEPCHMQ-UHFFFAOYSA-N 1 0 423.513 4.122 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472350746 887185831 /nfs/dbraw/zinc/18/58/31/887185831.db2.gz QPXGNNLMCCIVNU-SPLOXXLWSA-N 1 0 401.438 4.154 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473503478 888230603 /nfs/dbraw/zinc/23/06/03/888230603.db2.gz HAVZDMOWZOPTMA-QFIPXVFZSA-N 1 0 413.905 4.377 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473823270 888655201 /nfs/dbraw/zinc/65/52/01/888655201.db2.gz LEWWNFRVIMLQSV-LFUKPOHLSA-N 1 0 410.518 4.490 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474346521 889222461 /nfs/dbraw/zinc/22/24/61/889222461.db2.gz ISBWFQUBKQOGAF-FQEVSTJZSA-N 1 0 404.438 4.163 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC000474358303 889237412 /nfs/dbraw/zinc/23/74/12/889237412.db2.gz YQVKKHLKWKMROA-NRFANRHFSA-N 1 0 418.877 4.431 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000474370687 889248880 /nfs/dbraw/zinc/24/88/80/889248880.db2.gz WDRHDPYUKWCGPN-INIZCTEOSA-N 1 0 421.453 4.059 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474378755 889254385 /nfs/dbraw/zinc/25/43/85/889254385.db2.gz ZMAXXGKXVJQWKI-FQEVSTJZSA-N 1 0 404.438 4.163 20 5 HIBDRO C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000475113193 889963876 /nfs/dbraw/zinc/96/38/76/889963876.db2.gz RBGYFFBKJRJTGQ-NTKDMRAZSA-N 1 0 422.529 4.354 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccsc1 ZINC000475200965 890069496 /nfs/dbraw/zinc/06/94/96/890069496.db2.gz CQOUHINGEMVCQT-AWEZNQCLSA-N 1 0 402.398 4.100 20 5 HIBDRO Cc1cccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475294462 890199643 /nfs/dbraw/zinc/19/96/43/890199643.db2.gz MTCSSQGGRGAZOC-UHFFFAOYSA-N 1 0 413.481 4.483 20 5 HIBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475304730 890214274 /nfs/dbraw/zinc/21/42/74/890214274.db2.gz RIEFKLFCHLGFPL-IBGZPJMESA-N 1 0 422.510 4.065 20 5 HIBDRO COc1cccc([C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[NH+]2CCCC2)c1 ZINC000475580033 890509792 /nfs/dbraw/zinc/50/97/92/890509792.db2.gz CNSVZHUOJBTKTB-NRFANRHFSA-N 1 0 412.490 4.179 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000475644237 890587335 /nfs/dbraw/zinc/58/73/35/890587335.db2.gz YZIDLRYVCFJKNR-KXBFYZLASA-N 1 0 402.520 4.478 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475692104 890632305 /nfs/dbraw/zinc/63/23/05/890632305.db2.gz GAXMBMUZTROJRE-VXGBXAGGSA-N 1 0 401.394 4.167 20 5 HIBDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066015 891999721 /nfs/dbraw/zinc/99/97/21/891999721.db2.gz MTFDOEGCOZCPGW-MHTXLSKPSA-N 1 0 413.499 4.223 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)cc1[N+](=O)[O-] ZINC000504899470 913630832 /nfs/dbraw/zinc/63/08/32/913630832.db2.gz HHTPKVRELXSKFL-MRXNPFEDSA-N 1 0 416.522 4.161 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000504900343 913632091 /nfs/dbraw/zinc/63/20/91/913632091.db2.gz WBNXWDVHEOUUFS-MRXNPFEDSA-N 1 0 420.469 4.492 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000504899978 913632702 /nfs/dbraw/zinc/63/27/02/913632702.db2.gz PCAWTJABDHBUJF-FQEVSTJZSA-N 1 0 415.559 4.088 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000477277868 892229246 /nfs/dbraw/zinc/22/92/46/892229246.db2.gz WTQBXUFSSHFHRE-UHFFFAOYSA-N 1 0 405.857 4.090 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504918274 913654080 /nfs/dbraw/zinc/65/40/80/913654080.db2.gz GCFRWQLPZNDSLK-AVRDEDQJSA-N 1 0 413.518 4.026 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000504931163 913672953 /nfs/dbraw/zinc/67/29/53/913672953.db2.gz WHZFEAICSGXWOL-KBPBESRZSA-N 1 0 410.873 4.288 20 5 HIBDRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000478328927 893559394 /nfs/dbraw/zinc/55/93/94/893559394.db2.gz RUASJPBFEYYJPK-UHFFFAOYSA-N 1 0 400.454 4.161 20 5 HIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000478493761 893811552 /nfs/dbraw/zinc/81/15/52/893811552.db2.gz SYHFUXUZFAPCEE-MRXNPFEDSA-N 1 0 402.516 4.470 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479617535 894887760 /nfs/dbraw/zinc/88/77/60/894887760.db2.gz VLMOBELTGVTUCP-UHFFFAOYSA-N 1 0 419.485 4.061 20 5 HIBDRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc([N+](=O)[O-])c1C ZINC000479861167 895196956 /nfs/dbraw/zinc/19/69/56/895196956.db2.gz HQYWFHXYQMKBEX-XMMPIXPASA-N 1 0 423.513 4.040 20 5 HIBDRO Cc1c(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480057307 895404852 /nfs/dbraw/zinc/40/48/52/895404852.db2.gz UQZXFYRKWFFYGX-UWJYYQICSA-N 1 0 410.518 4.098 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)C1CC1 ZINC000480891166 896248426 /nfs/dbraw/zinc/24/84/26/896248426.db2.gz UOJKKYGEOOGNIP-QGZVFWFLSA-N 1 0 415.291 4.116 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481176896 896511288 /nfs/dbraw/zinc/51/12/88/896511288.db2.gz OYFKIXRSDKKHIP-VGSWGCGISA-N 1 0 406.486 4.250 20 5 HIBDRO CCC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000481551126 896916914 /nfs/dbraw/zinc/91/69/14/896916914.db2.gz XZZQNPYRSCEZKG-YADHBBJMSA-N 1 0 411.502 4.135 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000481622336 897006001 /nfs/dbraw/zinc/00/60/01/897006001.db2.gz IGOIITBFKFZDKW-INIZCTEOSA-N 1 0 406.486 4.238 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000481777880 897160643 /nfs/dbraw/zinc/16/06/43/897160643.db2.gz PXDQZKIROJEWMS-HNNXBMFYSA-N 1 0 401.894 4.410 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000481952325 897341157 /nfs/dbraw/zinc/34/11/57/897341157.db2.gz UCNHGQKIYBUQEY-IIBYNOLFSA-N 1 0 403.910 4.281 20 5 HIBDRO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 ZINC000482280765 897772945 /nfs/dbraw/zinc/77/29/45/897772945.db2.gz CICPDBLDTDCKMU-UHFFFAOYSA-N 1 0 412.833 4.094 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000482492502 898071863 /nfs/dbraw/zinc/07/18/63/898071863.db2.gz WVXMOJGWRONPRE-SFHVURJKSA-N 1 0 421.419 4.254 20 5 HIBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000482499326 898078912 /nfs/dbraw/zinc/07/89/12/898078912.db2.gz NKWLQALFFOFLJR-UHFFFAOYSA-N 1 0 410.426 4.039 20 5 HIBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482503405 898085301 /nfs/dbraw/zinc/08/53/01/898085301.db2.gz FJSAXQUVRKWNNT-APWZRJJASA-N 1 0 416.522 4.198 20 5 HIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000482623982 898226120 /nfs/dbraw/zinc/22/61/20/898226120.db2.gz SLGZDYDIAOABAH-UHFFFAOYSA-N 1 0 411.380 4.158 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000482664597 898266576 /nfs/dbraw/zinc/26/65/76/898266576.db2.gz PQYCANPATONHKF-OAHLLOKOSA-N 1 0 400.454 4.159 20 5 HIBDRO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482952464 898580818 /nfs/dbraw/zinc/58/08/18/898580818.db2.gz BRLSKNLOTAIQIQ-INIZCTEOSA-N 1 0 405.458 4.162 20 5 HIBDRO C[C@@H](NC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1)c1ccccc1 ZINC000484145560 899766469 /nfs/dbraw/zinc/76/64/69/899766469.db2.gz MYFXILASWRKAFM-XXBNENTESA-N 1 0 423.557 4.406 20 5 HIBDRO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000484161619 899782468 /nfs/dbraw/zinc/78/24/68/899782468.db2.gz NRSPISFRABOXLM-QFIPXVFZSA-N 1 0 407.514 4.058 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccsc1 ZINC000484722206 900152018 /nfs/dbraw/zinc/15/20/18/900152018.db2.gz WQDHSKLOXGATEU-INIZCTEOSA-N 1 0 423.560 4.200 20 5 HIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2C1 ZINC000484884113 900269719 /nfs/dbraw/zinc/26/97/19/900269719.db2.gz VSEDHBLFKWFRIC-UHFFFAOYSA-N 1 0 419.485 4.395 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000485099340 900409626 /nfs/dbraw/zinc/40/96/26/900409626.db2.gz BKHFYEMSSMTTPT-KRWDZBQOSA-N 1 0 405.564 4.435 20 5 HIBDRO C[N@H+](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000485742613 900996364 /nfs/dbraw/zinc/99/63/64/900996364.db2.gz NWQUJWLJMHHLAN-UHFFFAOYSA-N 1 0 419.481 4.036 20 5 HIBDRO CSc1cccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c1[N+](=O)[O-] ZINC000486259504 901442009 /nfs/dbraw/zinc/44/20/09/901442009.db2.gz YSOCDJQCLXBVID-UHFFFAOYSA-N 1 0 417.556 4.426 20 5 HIBDRO CSc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000486406380 901567923 /nfs/dbraw/zinc/56/79/23/901567923.db2.gz KFMMMTBXTQXALR-SJLPKXTDSA-N 1 0 413.543 4.442 20 5 HIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1[N+](=O)[O-] ZINC000505906230 914549306 /nfs/dbraw/zinc/54/93/06/914549306.db2.gz MNPBAEYDPCGORM-GOSISDBHSA-N 1 0 409.465 4.220 20 5 HIBDRO CC(C)([C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000486558901 901704588 /nfs/dbraw/zinc/70/45/88/901704588.db2.gz RPCWWLMKHHWFNI-IBGZPJMESA-N 1 0 403.429 4.219 20 5 HIBDRO CCOc1c(OC)cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC ZINC000487199791 902097751 /nfs/dbraw/zinc/09/77/51/902097751.db2.gz NHYRWTOCUPNDMI-UHFFFAOYSA-N 1 0 414.380 4.319 20 5 HIBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487268071 902128556 /nfs/dbraw/zinc/12/85/56/902128556.db2.gz LTAXHKJZBSIENV-WBVHZDCISA-N 1 0 409.511 4.450 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[NH+](C)C ZINC000487426433 902204811 /nfs/dbraw/zinc/20/48/11/902204811.db2.gz HGBAFSVILWDBDB-HTAPYJJXSA-N 1 0 418.497 4.386 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000487891865 902432958 /nfs/dbraw/zinc/43/29/58/902432958.db2.gz DGYLFAQONYRTMJ-HZPDHXFCSA-N 1 0 406.442 4.460 20 5 HIBDRO CC(C)(NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000488510239 902863098 /nfs/dbraw/zinc/86/30/98/902863098.db2.gz WQWHEWMPEAIQNL-MRXNPFEDSA-N 1 0 416.547 4.103 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000489413504 903372837 /nfs/dbraw/zinc/37/28/37/903372837.db2.gz NSLXJQNBDGNUIS-INIZCTEOSA-N 1 0 416.547 4.237 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000489521523 903435462 /nfs/dbraw/zinc/43/54/62/903435462.db2.gz UBLIBTNBRSMJLU-HXUWFJFHSA-N 1 0 422.529 4.297 20 5 HIBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000489577040 903474680 /nfs/dbraw/zinc/47/46/80/903474680.db2.gz LCBYIXFDLHFALG-UHFFFAOYSA-N 1 0 424.545 4.401 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]3C[NH+]3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000489870713 903641908 /nfs/dbraw/zinc/64/19/08/903641908.db2.gz CEFKAAINZCHZNP-FQEVSTJZSA-N 1 0 408.502 4.220 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000489916889 903672541 /nfs/dbraw/zinc/67/25/41/903672541.db2.gz WESLUFBIUAIWKG-CRAIPNDOSA-N 1 0 402.520 4.162 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000490014081 903724790 /nfs/dbraw/zinc/72/47/90/903724790.db2.gz PPULOBPZTYEDIY-UHFFFAOYSA-N 1 0 417.535 4.058 20 5 HIBDRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013323 903725207 /nfs/dbraw/zinc/72/52/07/903725207.db2.gz LTKBDVDEQJISOQ-IAGOWNOFSA-N 1 0 418.563 4.336 20 5 HIBDRO COc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000490026802 903730130 /nfs/dbraw/zinc/73/01/30/903730130.db2.gz AJRDLXMFVVBBSS-QGZVFWFLSA-N 1 0 411.502 4.001 20 5 HIBDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000490490957 904043632 /nfs/dbraw/zinc/04/36/32/904043632.db2.gz IOFFKQMAGSSZNR-LJQANCHMSA-N 1 0 403.910 4.479 20 5 HIBDRO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490788239 904234446 /nfs/dbraw/zinc/23/44/46/904234446.db2.gz BANFROMMZOIWPK-ZBFHGGJFSA-N 1 0 421.419 4.254 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)CC2)CC1 ZINC000491020144 904373612 /nfs/dbraw/zinc/37/36/12/904373612.db2.gz MYBNIKZQQJBEPA-UHFFFAOYSA-N 1 0 414.550 4.312 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCc2nnc3n2CCCCC3)c2ccccc2)c1 ZINC000491058745 904402485 /nfs/dbraw/zinc/40/24/85/904402485.db2.gz YGHNTJOIEJOJKE-HSZRJFAPSA-N 1 0 405.502 4.225 20 5 HIBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000491091401 904423298 /nfs/dbraw/zinc/42/32/98/904423298.db2.gz JFZHCIBXQKQSGX-IBGZPJMESA-N 1 0 410.518 4.011 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)c2ccccc2)c1 ZINC000491424174 904590193 /nfs/dbraw/zinc/59/01/93/904590193.db2.gz SBUXEKUVCATWQX-VWLOTQADSA-N 1 0 417.509 4.306 20 5 HIBDRO COc1cc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000492678531 904887012 /nfs/dbraw/zinc/88/70/12/904887012.db2.gz FEMKMMUJGDNQQS-UHFFFAOYSA-N 1 0 423.513 4.007 20 5 HIBDRO CCOc1cc(C[NH+]2CCC(OCc3ccccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000492725174 904894563 /nfs/dbraw/zinc/89/45/63/904894563.db2.gz WEFRYTIXRBEQDH-UHFFFAOYSA-N 1 0 400.475 4.183 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)c2ccccc2)c1 ZINC000493152138 905033648 /nfs/dbraw/zinc/03/36/48/905033648.db2.gz RPNFOQQVVJBTGE-GOSISDBHSA-N 1 0 417.391 4.195 20 5 HIBDRO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000493625310 905175830 /nfs/dbraw/zinc/17/58/30/905175830.db2.gz PJDIOXBRLGQERY-ZIAGYGMSSA-N 1 0 404.479 4.401 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H](NCC2([NH+]3CCCCC3)CCOCC2)c2ccccc2)c1 ZINC000494026734 905368433 /nfs/dbraw/zinc/36/84/33/905368433.db2.gz DKIUYEPVMDNIML-HSZRJFAPSA-N 1 0 409.530 4.309 20 5 HIBDRO C[C@@H]1[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494069339 905406134 /nfs/dbraw/zinc/40/61/34/905406134.db2.gz OJQWDYQQXQKNKW-UTKZUKDTSA-N 1 0 416.481 4.050 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427045 921154207 /nfs/dbraw/zinc/15/42/07/921154207.db2.gz KDVNNYPEWTTXQW-ZGRWHYIRSA-N 1 0 412.465 4.281 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494427335 905714934 /nfs/dbraw/zinc/71/49/34/905714934.db2.gz SOLSCCVHDDGSID-LSDHHAIUSA-N 1 0 412.519 4.305 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000494465528 905747938 /nfs/dbraw/zinc/74/79/38/905747938.db2.gz NFTLPUYJHDAZCL-XUVXKRRUSA-N 1 0 415.877 4.085 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494492771 905779716 /nfs/dbraw/zinc/77/97/16/905779716.db2.gz MFURASJJRLCNIN-OEPMTFCVSA-N 1 0 421.856 4.143 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494497414 905785871 /nfs/dbraw/zinc/78/58/71/905785871.db2.gz ROHFCIPJOLTHTN-OAHLLOKOSA-N 1 0 424.432 4.428 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000494559491 905835511 /nfs/dbraw/zinc/83/55/11/905835511.db2.gz JJDLWYRAYBJVPR-UHFFFAOYSA-N 1 0 404.392 4.191 20 5 HIBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000512556351 921234228 /nfs/dbraw/zinc/23/42/28/921234228.db2.gz XGXKDBVZPMIQHW-ROUUACIJSA-N 1 0 424.545 4.069 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000512609923 921259226 /nfs/dbraw/zinc/25/92/26/921259226.db2.gz SRFWBIXJKLKWRN-SJORKVTESA-N 1 0 416.522 4.198 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000496867904 906770806 /nfs/dbraw/zinc/77/08/06/906770806.db2.gz LPDXKSRKUJYFTB-MRXNPFEDSA-N 1 0 408.458 4.497 20 5 HIBDRO COc1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512663321 921279604 /nfs/dbraw/zinc/27/96/04/921279604.db2.gz JSRYXAKNHOXJLC-UHFFFAOYSA-N 1 0 422.485 4.285 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499646564 908864753 /nfs/dbraw/zinc/86/47/53/908864753.db2.gz NQUCBJGKHPBPGI-UHFFFAOYSA-N 1 0 422.510 4.253 20 5 HIBDRO C[C@H]([NH2+]C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000499960255 909401351 /nfs/dbraw/zinc/40/13/51/909401351.db2.gz TVSAKQGJJLFDJA-SFHVURJKSA-N 1 0 411.502 4.144 20 5 HIBDRO CCOc1cc(C[NH2+]CC(C)C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000499966414 909406995 /nfs/dbraw/zinc/40/69/95/909406995.db2.gz XLWZXOYHYDRBJG-UHFFFAOYSA-N 1 0 416.474 4.185 20 5 HIBDRO 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 921525618 /nfs/dbraw/zinc/52/56/18/921525618.db2.gz YZZWKZWLJCQXSY-ORFRNNEJSA-N 1 0 417.550 4.287 20 5 HIBDRO 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 921526371 /nfs/dbraw/zinc/52/63/71/921526371.db2.gz YZZWKZWLJCQXSY-UFHDJZAFSA-N 1 0 417.550 4.287 20 5 HIBDRO C[C@@H]([NH2+]C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000503065290 912029413 /nfs/dbraw/zinc/02/94/13/912029413.db2.gz LGTVYAFWCRTIRC-GOSISDBHSA-N 1 0 410.518 4.100 20 5 HIBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000506477155 915079819 /nfs/dbraw/zinc/07/98/19/915079819.db2.gz MJQHBIIYATZFIH-OAQYLSRUSA-N 1 0 408.527 4.425 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000506667585 915343209 /nfs/dbraw/zinc/34/32/09/915343209.db2.gz CRDXNHPQUOOECA-WBMJQRKESA-N 1 0 421.881 4.333 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)s1 ZINC000513415439 921783971 /nfs/dbraw/zinc/78/39/71/921783971.db2.gz JJAKXTVFVBQAOE-UHFFFAOYSA-N 1 0 414.556 4.488 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000507096137 915867041 /nfs/dbraw/zinc/86/70/41/915867041.db2.gz AGLVSMHPEZIYTL-UHFFFAOYSA-N 1 0 413.543 4.097 20 5 HIBDRO CCc1cc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507121139 915877746 /nfs/dbraw/zinc/87/77/46/915877746.db2.gz NVWWOPZGJHHXNX-OAQYLSRUSA-N 1 0 403.486 4.107 20 5 HIBDRO CSc1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000507126817 915880562 /nfs/dbraw/zinc/88/05/62/915880562.db2.gz MWSZXRAJKMYHEN-UHFFFAOYSA-N 1 0 413.543 4.097 20 5 HIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000507171027 915915429 /nfs/dbraw/zinc/91/54/29/915915429.db2.gz RSXIHVFXJQNZIF-UHFFFAOYSA-N 1 0 411.502 4.007 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000507636473 916396170 /nfs/dbraw/zinc/39/61/70/916396170.db2.gz OQJGPOMZAPXYAM-QGZVFWFLSA-N 1 0 421.501 4.185 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc(O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000507928712 916803722 /nfs/dbraw/zinc/80/37/22/916803722.db2.gz FICCSFJGUYVSHD-UHFFFAOYSA-N 1 0 408.454 4.220 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000507929879 916804416 /nfs/dbraw/zinc/80/44/16/916804416.db2.gz JQLPAWHAQULRMP-UHFFFAOYSA-N 1 0 408.433 4.230 20 5 HIBDRO CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 ZINC000507971788 916823436 /nfs/dbraw/zinc/82/34/36/916823436.db2.gz STJJYATXGZLFSM-UHFFFAOYSA-N 1 0 407.392 4.028 20 5 HIBDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000508240401 917057855 /nfs/dbraw/zinc/05/78/55/917057855.db2.gz NBUDIHYIGKPVDQ-GOSISDBHSA-N 1 0 420.897 4.079 20 5 HIBDRO COc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000508249400 917067971 /nfs/dbraw/zinc/06/79/71/917067971.db2.gz QLYKXOURPAGZJS-OAHLLOKOSA-N 1 0 403.454 4.054 20 5 HIBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000508342424 917144524 /nfs/dbraw/zinc/14/45/24/917144524.db2.gz KBPNIHSJAZLBFH-ROUUACIJSA-N 1 0 410.518 4.057 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1 ZINC000508843191 917594148 /nfs/dbraw/zinc/59/41/48/917594148.db2.gz SJWJGSKFKWEBOT-QHCPKHFHSA-N 1 0 412.486 4.196 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509266544 917954035 /nfs/dbraw/zinc/95/40/35/917954035.db2.gz YWGFBTTYFJGFOW-KDURUIRLSA-N 1 0 404.555 4.273 20 5 HIBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509560458 918210940 /nfs/dbraw/zinc/21/09/40/918210940.db2.gz USHZUEVDOOMCOI-QHCPKHFHSA-N 1 0 419.529 4.092 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509826305 918427732 /nfs/dbraw/zinc/42/77/32/918427732.db2.gz KFALDSFINCURLQ-NRFANRHFSA-N 1 0 410.518 4.179 20 5 HIBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000509949144 918544167 /nfs/dbraw/zinc/54/41/67/918544167.db2.gz OVKLOVWLMHBYBX-GOSISDBHSA-N 1 0 406.442 4.251 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000510086060 918652142 /nfs/dbraw/zinc/65/21/42/918652142.db2.gz OQBWTKWAUFPSEQ-DOTOQJQBSA-N 1 0 401.894 4.279 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510134021 918690836 /nfs/dbraw/zinc/69/08/36/918690836.db2.gz WFKGJUMYRHNDGJ-ICSRJNTNSA-N 1 0 409.530 4.289 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510134023 918691051 /nfs/dbraw/zinc/69/10/51/918691051.db2.gz WFKGJUMYRHNDGJ-QUCCMNQESA-N 1 0 409.530 4.289 20 5 HIBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000510267763 918796364 /nfs/dbraw/zinc/79/63/64/918796364.db2.gz GJAWRAWMCVJROV-UHFFFAOYSA-N 1 0 420.469 4.125 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000510526385 918972652 /nfs/dbraw/zinc/97/26/52/918972652.db2.gz PFYRNNUBNNCLMM-QINHECLXSA-N 1 0 401.532 4.191 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510551377 918996563 /nfs/dbraw/zinc/99/65/63/918996563.db2.gz TZLJEXKLBMMRSM-QRWLVFNGSA-N 1 0 401.532 4.436 20 5 HIBDRO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000510554087 918998482 /nfs/dbraw/zinc/99/84/82/918998482.db2.gz PPWIHLFKAYQJKT-LJQANCHMSA-N 1 0 424.545 4.048 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510836873 919317873 /nfs/dbraw/zinc/31/78/73/919317873.db2.gz YGSBSMQKFTYFQU-UHFFFAOYSA-N 1 0 420.416 4.114 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510944918 919474693 /nfs/dbraw/zinc/47/46/93/919474693.db2.gz ATKBAIPLTLZOAD-AVRDEDQJSA-N 1 0 424.545 4.202 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510944921 919476013 /nfs/dbraw/zinc/47/60/13/919476013.db2.gz ATKBAIPLTLZOAD-XMSQKQJNSA-N 1 0 424.545 4.202 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000511540745 920164694 /nfs/dbraw/zinc/16/46/94/920164694.db2.gz PWHTTWJDRKSUMU-UHFFFAOYSA-N 1 0 414.453 4.172 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511585554 920231133 /nfs/dbraw/zinc/23/11/33/920231133.db2.gz CJANJRVOVBCZQX-LJQANCHMSA-N 1 0 423.391 4.481 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511633072 920296437 /nfs/dbraw/zinc/29/64/37/920296437.db2.gz ZGNATOKFHCQAFP-FQEVSTJZSA-N 1 0 400.475 4.183 20 5 HIBDRO COc1ccc(CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000511800676 920494260 /nfs/dbraw/zinc/49/42/60/920494260.db2.gz CVXUKTVAOBEYPT-UHFFFAOYSA-N 1 0 419.481 4.165 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511860059 920585473 /nfs/dbraw/zinc/58/54/73/920585473.db2.gz OXRRRKLWOYGMMT-KURKYZTESA-N 1 0 424.419 4.279 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511894138 920629320 /nfs/dbraw/zinc/62/93/20/920629320.db2.gz QUASWZSVDADPNN-VAMGGRTRSA-N 1 0 407.470 4.161 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000512163098 920899761 /nfs/dbraw/zinc/89/97/61/920899761.db2.gz DVOMLVCVVFMQOP-NRFANRHFSA-N 1 0 410.518 4.037 20 5 HIBDRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513483912 921838129 /nfs/dbraw/zinc/83/81/29/921838129.db2.gz GUEMVBLCAHSVQP-SFHVURJKSA-N 1 0 423.307 4.008 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000514175371 922513289 /nfs/dbraw/zinc/51/32/89/922513289.db2.gz YMMRNDOUYSREFO-QGZVFWFLSA-N 1 0 407.417 4.009 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000514695412 922762258 /nfs/dbraw/zinc/76/22/58/922762258.db2.gz BAOHQTRCBVOKIX-MRXNPFEDSA-N 1 0 422.485 4.123 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC ZINC000514786586 922802489 /nfs/dbraw/zinc/80/24/89/922802489.db2.gz HEHPTPZQQBGTHC-CABCVRRESA-N 1 0 401.463 4.070 20 5 HIBDRO CCc1cccc2c(C3CC[NH+](C[C@H](O)COc4cccc([N+](=O)[O-])c4)CC3)c[nH]c21 ZINC000515508560 923140477 /nfs/dbraw/zinc/14/04/77/923140477.db2.gz GTMIZZNGKAKWMS-FQEVSTJZSA-N 1 0 423.513 4.258 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000515806829 923363518 /nfs/dbraw/zinc/36/35/18/923363518.db2.gz GYIOVDDSPDUNKL-UHFFFAOYSA-N 1 0 411.527 4.446 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000517538808 924252027 /nfs/dbraw/zinc/25/20/27/924252027.db2.gz MEFDMMVWPUJXER-UHFFFAOYSA-N 1 0 401.470 4.343 20 5 HIBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000518031236 926969911 /nfs/dbraw/zinc/96/99/11/926969911.db2.gz ARTKBDNMVIGBRM-MSOLQXFVSA-N 1 0 410.518 4.057 20 5 HIBDRO CC1CCN(c2ccc(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000518757220 927479682 /nfs/dbraw/zinc/47/96/82/927479682.db2.gz CYVTUKHXYJKKKJ-IBGZPJMESA-N 1 0 416.566 4.073 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000520205307 928387560 /nfs/dbraw/zinc/38/75/60/928387560.db2.gz IEWHWVUYSNGUJX-UHFFFAOYSA-N 1 0 410.518 4.291 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OCc1ccccc1 ZINC000520958744 928889739 /nfs/dbraw/zinc/88/97/39/928889739.db2.gz DSEBIWGMTGJNNP-UHFFFAOYSA-N 1 0 408.454 4.481 20 5 HIBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000521144898 929023123 /nfs/dbraw/zinc/02/31/23/929023123.db2.gz TWHCEGIXFHYZDH-IBGZPJMESA-N 1 0 410.518 4.057 20 5 HIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000521686433 929366917 /nfs/dbraw/zinc/36/69/17/929366917.db2.gz XNGFXLQZFPLCQY-HXUWFJFHSA-N 1 0 407.474 4.254 20 5 HIBDRO C[C@H]([C@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000521827508 929481874 /nfs/dbraw/zinc/48/18/74/929481874.db2.gz MQOIQPOGGSHJDL-JKSUJKDBSA-N 1 0 419.909 4.239 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000524644581 929756362 /nfs/dbraw/zinc/75/63/62/929756362.db2.gz PNSAQYOUZYHECN-FZKQIMNGSA-N 1 0 405.545 4.191 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524653289 929764849 /nfs/dbraw/zinc/76/48/49/929764849.db2.gz SGBJYTIRPWHCDU-XJKSGUPXSA-N 1 0 403.866 4.253 20 5 HIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000524892774 929875841 /nfs/dbraw/zinc/87/58/41/929875841.db2.gz MQYAEHCNPGRRFD-VQTJNVASSA-N 1 0 404.507 4.411 20 5 HIBDRO COc1cc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000530992677 930878329 /nfs/dbraw/zinc/87/83/29/930878329.db2.gz SOTNPTIKWJBETL-QGZVFWFLSA-N 1 0 422.428 4.038 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](CO)c2ccccc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531094428 930918073 /nfs/dbraw/zinc/91/80/73/930918073.db2.gz STPHNYQBFBEBFS-QFIPXVFZSA-N 1 0 422.481 4.314 20 5 HIBDRO C[C@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCOCC1 ZINC000531629664 931132430 /nfs/dbraw/zinc/13/24/30/931132430.db2.gz MHJQIMQBGPMBDD-VBKZILBWSA-N 1 0 417.893 4.333 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000531704391 931166209 /nfs/dbraw/zinc/16/62/09/931166209.db2.gz RAFKQFQPXCYUOE-ZDUSSCGKSA-N 1 0 411.380 4.043 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531759711 931186046 /nfs/dbraw/zinc/18/60/46/931186046.db2.gz DOIVHKXJNOGIME-IBGZPJMESA-N 1 0 412.486 4.374 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531864604 931227264 /nfs/dbraw/zinc/22/72/64/931227264.db2.gz OXXCQJSAWCXKFT-PWRODBHTSA-N 1 0 412.486 4.230 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531884541 931234653 /nfs/dbraw/zinc/23/46/53/931234653.db2.gz MMPGCAKQSCGQAN-INIZCTEOSA-N 1 0 400.475 4.087 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000531953199 931261365 /nfs/dbraw/zinc/26/13/65/931261365.db2.gz ALHGBUSLVIDHPQ-QGZVFWFLSA-N 1 0 411.502 4.257 20 5 HIBDRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532146639 931328090 /nfs/dbraw/zinc/32/80/90/931328090.db2.gz SBYBIMHRFGXMNN-UHFFFAOYSA-N 1 0 416.481 4.183 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000532208991 931351973 /nfs/dbraw/zinc/35/19/73/931351973.db2.gz JWBLYMBGKVSUNN-QGZVFWFLSA-N 1 0 411.502 4.257 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000532208433 931352181 /nfs/dbraw/zinc/35/21/81/931352181.db2.gz XBVARNSHAJAHHU-OAQYLSRUSA-N 1 0 414.469 4.338 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000532219084 931358101 /nfs/dbraw/zinc/35/81/01/931358101.db2.gz MFRBAFPVUCBAQU-AWEZNQCLSA-N 1 0 420.307 4.136 20 5 HIBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532238201 931366049 /nfs/dbraw/zinc/36/60/49/931366049.db2.gz UDXHCSORTAJOGV-MBSDFSHPSA-N 1 0 418.497 4.203 20 5 HIBDRO C[C@H](c1cccs1)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000532473209 931452603 /nfs/dbraw/zinc/45/26/03/931452603.db2.gz ISNPRAAVBKIQLR-GFCCVEGCSA-N 1 0 402.501 4.411 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000532486662 931457473 /nfs/dbraw/zinc/45/74/73/931457473.db2.gz JIZBRZGNAWIMHV-QHCPKHFHSA-N 1 0 424.545 4.247 20 5 HIBDRO Cc1ccc(OC2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1C ZINC000532492784 931459812 /nfs/dbraw/zinc/45/98/12/931459812.db2.gz JPNPOELLFMWYIC-UHFFFAOYSA-N 1 0 411.502 4.392 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532950637 931708587 /nfs/dbraw/zinc/70/85/87/931708587.db2.gz XXQKLTKMGVFWAZ-MSOLQXFVSA-N 1 0 413.522 4.294 20 5 HIBDRO CCC[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532974930 931722563 /nfs/dbraw/zinc/72/25/63/931722563.db2.gz AECWETCJJDTPEC-KRWDZBQOSA-N 1 0 406.280 4.379 20 5 HIBDRO COc1ccccc1CC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000533264283 931823337 /nfs/dbraw/zinc/82/33/37/931823337.db2.gz RRXBMFSFMNZLGH-UHFFFAOYSA-N 1 0 411.502 4.195 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000533427479 931865666 /nfs/dbraw/zinc/86/56/66/931865666.db2.gz SWHPWJFYPZKCGQ-VFNWGFHPSA-N 1 0 415.515 4.111 20 5 HIBDRO Cc1c(NC(=O)CC[NH+]2CCC(OCC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000533427558 931865754 /nfs/dbraw/zinc/86/57/54/931865754.db2.gz OQZKDSUNLHUNME-UHFFFAOYSA-N 1 0 403.523 4.293 20 5 HIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000533485755 931881680 /nfs/dbraw/zinc/88/16/80/931881680.db2.gz NOJWPASSNMCWJF-UHFFFAOYSA-N 1 0 421.291 4.032 20 5 HIBDRO COc1ccccc1-c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cc1 ZINC000534133952 932296378 /nfs/dbraw/zinc/29/63/78/932296378.db2.gz OKMGOBWTFFFPTL-UHFFFAOYSA-N 1 0 421.497 4.343 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534246193 932362506 /nfs/dbraw/zinc/36/25/06/932362506.db2.gz COVUEZAYXBCFCY-SFHVURJKSA-N 1 0 406.486 4.060 20 5 HIBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534954965 932857075 /nfs/dbraw/zinc/85/70/75/932857075.db2.gz BAFGAOASYWKHJE-UHFFFAOYSA-N 1 0 413.905 4.377 20 5 HIBDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000535115190 932931745 /nfs/dbraw/zinc/93/17/45/932931745.db2.gz DLLQEDFSEOQJAE-YSSFQJQWSA-N 1 0 417.893 4.021 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000535373789 933099877 /nfs/dbraw/zinc/09/98/77/933099877.db2.gz YLMSZPTZVCTBMD-KRWDZBQOSA-N 1 0 420.513 4.309 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1Cc1ccccc1 ZINC000535694231 933349736 /nfs/dbraw/zinc/34/97/36/933349736.db2.gz REAVGMRJAUMMAS-SJLPKXTDSA-N 1 0 406.486 4.201 20 5 HIBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 ZINC000537615730 938333708 /nfs/dbraw/zinc/33/37/08/938333708.db2.gz NVCZYFMZVTXIHQ-OAQYLSRUSA-N 1 0 415.877 4.143 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[N@H+](CC(C)(C)O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000537634755 938341893 /nfs/dbraw/zinc/34/18/93/938341893.db2.gz RYCCUVBBBMHBGL-UHFFFAOYSA-N 1 0 413.518 4.115 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH+]2CCC(OCCO)CC2)cc1 ZINC000537659550 938348370 /nfs/dbraw/zinc/34/83/70/938348370.db2.gz XWQOSFAGGLZCGJ-UHFFFAOYSA-N 1 0 406.866 4.014 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000537689130 938355239 /nfs/dbraw/zinc/35/52/39/938355239.db2.gz HBXCTDJFSQWEKJ-AUSIDOKSSA-N 1 0 418.497 4.448 20 5 HIBDRO CC[N@H+](CCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537824576 938384623 /nfs/dbraw/zinc/38/46/23/938384623.db2.gz DRUUIGGDYOWJBX-UHFFFAOYSA-N 1 0 411.344 4.091 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000537968264 938438998 /nfs/dbraw/zinc/43/89/98/938438998.db2.gz YKZIZBFDCXFSHD-BBRMVZONSA-N 1 0 403.866 4.103 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000538126658 938512498 /nfs/dbraw/zinc/51/24/98/938512498.db2.gz OKVBIFNWGSSMJC-KRWDZBQOSA-N 1 0 420.469 4.167 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000538239356 938570264 /nfs/dbraw/zinc/57/02/64/938570264.db2.gz SZCXCAQWERHZBI-SFHVURJKSA-N 1 0 405.495 4.267 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538277574 938581732 /nfs/dbraw/zinc/58/17/32/938581732.db2.gz VCWDTYWGXWDNGZ-KGLIPLIRSA-N 1 0 420.307 4.194 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000538322962 938592632 /nfs/dbraw/zinc/59/26/32/938592632.db2.gz HLKZTDWNHZCVKY-ZUOKHONESA-N 1 0 401.438 4.119 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000538391024 938609339 /nfs/dbraw/zinc/60/93/39/938609339.db2.gz XJXGSWSQDBKSIG-SFHVURJKSA-N 1 0 403.454 4.064 20 5 HIBDRO CO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000538412859 938614887 /nfs/dbraw/zinc/61/48/87/938614887.db2.gz RAUDYHIZHSURKL-IBGZPJMESA-N 1 0 400.866 4.126 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)s2)cc1 ZINC000538752012 938702313 /nfs/dbraw/zinc/70/23/13/938702313.db2.gz BSABBQAIUDYSLN-QGZVFWFLSA-N 1 0 400.422 4.459 20 5 HIBDRO CCOC[C@H]1CC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538762409 938703974 /nfs/dbraw/zinc/70/39/74/938703974.db2.gz OIRSJEMJKHQJIW-SFHVURJKSA-N 1 0 400.475 4.041 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000539021314 938771348 /nfs/dbraw/zinc/77/13/48/938771348.db2.gz SICBFBUIRSOLKK-QWHCGFSZSA-N 1 0 406.280 4.425 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1)CC(C)C ZINC000539137547 938809671 /nfs/dbraw/zinc/80/96/71/938809671.db2.gz QNFRTGOZZHGSDB-UHFFFAOYSA-N 1 0 400.523 4.296 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000539276408 938831946 /nfs/dbraw/zinc/83/19/46/938831946.db2.gz LGAQYOIOSCBGER-SNVBAGLBSA-N 1 0 412.671 4.300 20 5 HIBDRO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000539277625 938832025 /nfs/dbraw/zinc/83/20/25/938832025.db2.gz RQHBGVAPLJPUAE-VGSWGCGISA-N 1 0 411.502 4.398 20 5 HIBDRO COc1ccc(OCC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000539277779 938832062 /nfs/dbraw/zinc/83/20/62/938832062.db2.gz WBDZKVSFKNMUIP-OAHLLOKOSA-N 1 0 402.344 4.405 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000539286653 938833828 /nfs/dbraw/zinc/83/38/28/938833828.db2.gz GBCOPENEGOBRHI-ZIAGYGMSSA-N 1 0 413.865 4.112 20 5 HIBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000539422848 938858555 /nfs/dbraw/zinc/85/85/55/938858555.db2.gz DEPGGBKIGPMXEO-QGZVFWFLSA-N 1 0 415.799 4.170 20 5 HIBDRO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000539766587 938930445 /nfs/dbraw/zinc/93/04/45/938930445.db2.gz RHQROKJCKKMHMH-HXUWFJFHSA-N 1 0 411.502 4.042 20 5 HIBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000539818884 938942016 /nfs/dbraw/zinc/94/20/16/938942016.db2.gz FLBBLTLXURRTKY-WOJBJXKFSA-N 1 0 420.893 4.260 20 5 HIBDRO COc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1OC(C)C ZINC000539835552 938953066 /nfs/dbraw/zinc/95/30/66/938953066.db2.gz HDNCTZFOLUJSOZ-UHFFFAOYSA-N 1 0 400.475 4.434 20 5 HIBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924221 938978130 /nfs/dbraw/zinc/97/81/30/938978130.db2.gz WLPGDNZDVYYHLT-QFBILLFUSA-N 1 0 413.449 4.017 20 5 HIBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540203330 939125571 /nfs/dbraw/zinc/12/55/71/939125571.db2.gz SYGNZIZORLRNID-OAQYLSRUSA-N 1 0 416.481 4.224 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000540343839 939200730 /nfs/dbraw/zinc/20/07/30/939200730.db2.gz MGFFBWXVZHATRE-GFCCVEGCSA-N 1 0 422.279 4.045 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540363129 939211118 /nfs/dbraw/zinc/21/11/18/939211118.db2.gz IRQBGPUAKRHSRU-HUUCEWRRSA-N 1 0 401.463 4.068 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc([N+](=O)[O-])c1 ZINC000540377867 939218639 /nfs/dbraw/zinc/21/86/39/939218639.db2.gz ZCBHRQYZSFLMDZ-OAHLLOKOSA-N 1 0 411.458 4.316 20 5 HIBDRO CCSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000540403953 939236097 /nfs/dbraw/zinc/23/60/97/939236097.db2.gz WOYUUEQCDCCWMA-AWEZNQCLSA-N 1 0 403.504 4.395 20 5 HIBDRO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540408124 939237449 /nfs/dbraw/zinc/23/74/49/939237449.db2.gz IHBBEOZANKVKAE-FQEVSTJZSA-N 1 0 417.849 4.046 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000540422581 939242910 /nfs/dbraw/zinc/24/29/10/939242910.db2.gz FLMTWBSCTFJSOH-GFCCVEGCSA-N 1 0 421.856 4.465 20 5 HIBDRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540476071 939266944 /nfs/dbraw/zinc/26/69/44/939266944.db2.gz QIDRPZCIGPSYOG-DYESRHJHSA-N 1 0 411.502 4.316 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000540476792 939268327 /nfs/dbraw/zinc/26/83/27/939268327.db2.gz RPCPBBAKSSVQSZ-LSDHHAIUSA-N 1 0 412.515 4.211 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540523214 939287424 /nfs/dbraw/zinc/28/74/24/939287424.db2.gz HHSFAVJITGIFIS-NRFANRHFSA-N 1 0 401.438 4.120 20 5 HIBDRO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 ZINC000540537368 939295305 /nfs/dbraw/zinc/29/53/05/939295305.db2.gz MYSBCJNGHXJKCH-UHFFFAOYSA-N 1 0 417.918 4.391 20 5 HIBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000540554239 939303445 /nfs/dbraw/zinc/30/34/45/939303445.db2.gz METLOXYPZUDBFG-FKVRIVCVSA-N 1 0 423.513 4.350 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000540714002 939345850 /nfs/dbraw/zinc/34/58/50/939345850.db2.gz QIOOPMWRSPZBAC-KDOFPFPSSA-N 1 0 421.419 4.455 20 5 HIBDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540753987 939360073 /nfs/dbraw/zinc/36/00/73/939360073.db2.gz UFAFUMOYTXGYFP-JPYJTQIMSA-N 1 0 403.482 4.173 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000541263050 939488301 /nfs/dbraw/zinc/48/83/01/939488301.db2.gz VADFFENWOFMFBJ-HKUYNNGSSA-N 1 0 413.543 4.198 20 5 HIBDRO COc1ccc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000541273587 939488800 /nfs/dbraw/zinc/48/88/00/939488800.db2.gz XOSGINWAVOLARG-UHFFFAOYSA-N 1 0 405.454 4.488 20 5 HIBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000541307753 939490364 /nfs/dbraw/zinc/49/03/64/939490364.db2.gz PZLDLQJFFOSTPL-UHFFFAOYSA-N 1 0 415.493 4.425 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]CCCNC(=O)c2cccs2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541564953 939556625 /nfs/dbraw/zinc/55/66/25/939556625.db2.gz MEMJXSXTUPXWEW-FQEVSTJZSA-N 1 0 413.499 4.311 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@@H+]1C ZINC000541584231 939560339 /nfs/dbraw/zinc/56/03/39/939560339.db2.gz ZWLREAZPRWPOMS-WBVHZDCISA-N 1 0 405.564 4.432 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541673312 939596857 /nfs/dbraw/zinc/59/68/57/939596857.db2.gz ULEQSUSNAGPRHJ-GFCCVEGCSA-N 1 0 409.845 4.070 20 5 HIBDRO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000541770461 939626642 /nfs/dbraw/zinc/62/66/42/939626642.db2.gz COZALQTXHBYAAG-UHFFFAOYSA-N 1 0 409.442 4.398 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000541985782 939670522 /nfs/dbraw/zinc/67/05/22/939670522.db2.gz NLGPISMRVYTUNZ-SCTDSRPQSA-N 1 0 407.555 4.333 20 5 HIBDRO COc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000542037107 939694974 /nfs/dbraw/zinc/69/49/74/939694974.db2.gz WDUDFOWRWNBMAU-HSZRJFAPSA-N 1 0 424.501 4.123 20 5 HIBDRO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1c1cccnc1 ZINC000542483146 939831361 /nfs/dbraw/zinc/83/13/61/939831361.db2.gz ZBSFCGNSKRGQAO-IBGZPJMESA-N 1 0 408.483 4.004 20 5 HIBDRO Cn1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000542689717 939854411 /nfs/dbraw/zinc/85/44/11/939854411.db2.gz QXFHCXQSEKDSJK-TZIWHRDSSA-N 1 0 410.449 4.144 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000543184986 939989447 /nfs/dbraw/zinc/98/94/47/939989447.db2.gz GNOBCAUTNPFVSK-FQEVSTJZSA-N 1 0 406.479 4.029 20 5 HIBDRO O=C(C[NH2+][C@H](Cc1ccccc1)c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000543454475 940067844 /nfs/dbraw/zinc/06/78/44/940067844.db2.gz LEGVJXHZMZAAQI-LJQANCHMSA-N 1 0 407.495 4.119 20 5 HIBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000543498044 940085630 /nfs/dbraw/zinc/08/56/30/940085630.db2.gz SLVBSDWFYCBZKR-ILXRZTDVSA-N 1 0 412.408 4.135 20 5 HIBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560268 940108899 /nfs/dbraw/zinc/10/88/99/940108899.db2.gz ZRBRHENBKUAAMQ-HKUYNNGSSA-N 1 0 412.421 4.136 20 5 HIBDRO Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OCC[NH+]1CCCC1 ZINC000543588898 940122290 /nfs/dbraw/zinc/12/22/90/940122290.db2.gz YKXREKSPVUYWIC-MRXNPFEDSA-N 1 0 415.465 4.259 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3c4ccccc4sc32)cc1 ZINC000543598385 940126488 /nfs/dbraw/zinc/12/64/88/940126488.db2.gz ZOOLGLDXKCBIBM-GOSISDBHSA-N 1 0 416.524 4.250 20 5 HIBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000543871541 940219036 /nfs/dbraw/zinc/21/90/36/940219036.db2.gz XOXUSFYTISXMTQ-UHFFFAOYSA-N 1 0 405.539 4.243 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000543993055 940287490 /nfs/dbraw/zinc/28/74/90/940287490.db2.gz SRJZJLCURKPUEP-HOTGVXAUSA-N 1 0 424.501 4.320 20 5 HIBDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000544118261 940330865 /nfs/dbraw/zinc/33/08/65/940330865.db2.gz SRHGKLPPJSWXLL-MGPUTAFESA-N 1 0 413.474 4.024 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544398977 940412016 /nfs/dbraw/zinc/41/20/16/940412016.db2.gz JHDNBQRHHUADPO-PKOBYXMFSA-N 1 0 413.493 4.208 20 5 HIBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000544457578 940439150 /nfs/dbraw/zinc/43/91/50/940439150.db2.gz ARCYEEFYNCLQAO-LLVKDONJSA-N 1 0 405.398 4.198 20 5 HIBDRO COc1cc(C[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000544599082 940487368 /nfs/dbraw/zinc/48/73/68/940487368.db2.gz SMFNRDSZNHAIGN-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO COc1cc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626251 940493514 /nfs/dbraw/zinc/49/35/14/940493514.db2.gz OEWGPVLEWLFTKT-MJGOQNOKSA-N 1 0 404.438 4.103 20 5 HIBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000544629443 940494165 /nfs/dbraw/zinc/49/41/65/940494165.db2.gz FKNOGTFBEDUQAB-JOCHJYFZSA-N 1 0 410.518 4.400 20 5 HIBDRO CC(C)(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000545166749 940553383 /nfs/dbraw/zinc/55/33/83/940553383.db2.gz CDPBJGYZZJFOPS-KRWDZBQOSA-N 1 0 405.495 4.026 20 5 HIBDRO CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545478279 940571532 /nfs/dbraw/zinc/57/15/32/940571532.db2.gz VFWOKPKZYITJOI-QGZVFWFLSA-N 1 0 421.419 4.350 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000546166492 940719726 /nfs/dbraw/zinc/71/97/26/940719726.db2.gz KUIAPYLSNDYLJP-MNVSYLFESA-N 1 0 405.882 4.331 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000546166490 940720187 /nfs/dbraw/zinc/72/01/87/940720187.db2.gz KUIAPYLSNDYLJP-JZKQVHKSSA-N 1 0 405.882 4.331 20 5 HIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000546180955 940722508 /nfs/dbraw/zinc/72/25/08/940722508.db2.gz MRZCSMQVMSPVTK-BDAKNGLRSA-N 1 0 401.307 4.261 20 5 HIBDRO Cc1cc(Cc2noc(-c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)ccc1[N+](=O)[O-] ZINC000546558453 940852560 /nfs/dbraw/zinc/85/25/60/940852560.db2.gz UXSXRHDDXAPQRM-CALCHBBNSA-N 1 0 422.485 4.153 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547263885 941047696 /nfs/dbraw/zinc/04/76/96/941047696.db2.gz KNBURNBPXIUZOD-DLBZAZTESA-N 1 0 405.514 4.125 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000547726656 941073711 /nfs/dbraw/zinc/07/37/11/941073711.db2.gz HRODDYSKMHYNAW-CYBMUJFWSA-N 1 0 411.380 4.043 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549252203 941174297 /nfs/dbraw/zinc/17/42/97/941174297.db2.gz BBGFBPIFDBRRSB-FQEVSTJZSA-N 1 0 412.490 4.026 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549425082 941188633 /nfs/dbraw/zinc/18/86/33/941188633.db2.gz JCWMJAAQQQDBCG-UHFFFAOYSA-N 1 0 409.408 4.385 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549426433 941188806 /nfs/dbraw/zinc/18/88/06/941188806.db2.gz PZDWQZLDYVVXKJ-UHFFFAOYSA-N 1 0 409.408 4.385 20 5 HIBDRO COc1ccc(NC(=O)CC[NH+]2CCC(Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000550157152 941291057 /nfs/dbraw/zinc/29/10/57/941291057.db2.gz SLMSSQVWKMWFGR-UHFFFAOYSA-N 1 0 415.465 4.026 20 5 HIBDRO Cc1sc(C2([NH2+]CCn3cc([N+](=O)[O-])cn3)CCC2)nc1-c1ccccc1F ZINC000550524878 941334982 /nfs/dbraw/zinc/33/49/82/941334982.db2.gz OEQSLHYSOCRAQF-UHFFFAOYSA-N 1 0 401.467 4.031 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550906932 941380823 /nfs/dbraw/zinc/38/08/23/941380823.db2.gz CEHQJRVJOCOFFO-IRXDYDNUSA-N 1 0 420.469 4.247 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000550965090 941388023 /nfs/dbraw/zinc/38/80/23/941388023.db2.gz MLWNVKDVTFIYPJ-UHFFFAOYSA-N 1 0 409.408 4.384 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000551310681 941448674 /nfs/dbraw/zinc/44/86/74/941448674.db2.gz LJHMCRAVRPUAQP-OAHLLOKOSA-N 1 0 410.923 4.023 20 5 HIBDRO CC(C)(C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1[N+](=O)[O-] ZINC000551362565 941461724 /nfs/dbraw/zinc/46/17/24/941461724.db2.gz FJUREIQGKYGGLF-RUZDIDTESA-N 1 0 421.541 4.387 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000551517125 941493153 /nfs/dbraw/zinc/49/31/53/941493153.db2.gz FMLSMVZEJGEJOM-GFCCVEGCSA-N 1 0 416.421 4.176 20 5 HIBDRO CC(C)c1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000551680341 941525429 /nfs/dbraw/zinc/52/54/29/941525429.db2.gz GNCCRAMVSQNDIR-UHFFFAOYSA-N 1 0 411.502 4.121 20 5 HIBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000551814766 941550957 /nfs/dbraw/zinc/55/09/57/941550957.db2.gz VCGUNXSJWFMXPJ-VBKZILBWSA-N 1 0 402.516 4.462 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000552320647 941630741 /nfs/dbraw/zinc/63/07/41/941630741.db2.gz CJRIPFLUJJLDIT-RDTXWAMCSA-N 1 0 401.463 4.070 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553175300 941844641 /nfs/dbraw/zinc/84/46/41/941844641.db2.gz ZHMQQWXZRGJONM-WIOPSUGQSA-N 1 0 421.541 4.288 20 5 HIBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000553209072 941849417 /nfs/dbraw/zinc/84/94/17/941849417.db2.gz OEWJQCRAJOFFMZ-OAHLLOKOSA-N 1 0 419.323 4.360 20 5 HIBDRO C[C@@H](CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C[NH+](C)C ZINC000553231522 941853475 /nfs/dbraw/zinc/85/34/75/941853475.db2.gz PGBOFDGKDUEQOT-ZDUSSCGKSA-N 1 0 407.923 4.327 20 5 HIBDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000553800987 941972052 /nfs/dbraw/zinc/97/20/52/941972052.db2.gz BVIKEXVQNXUGOK-XQRVVYSFSA-N 1 0 418.291 4.297 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000554354658 942111636 /nfs/dbraw/zinc/11/16/36/942111636.db2.gz MJFULCDUMDUZAQ-FQEVSTJZSA-N 1 0 400.479 4.115 20 5 HIBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000554633963 942180552 /nfs/dbraw/zinc/18/05/52/942180552.db2.gz IFOWTKFANQKZEU-VFNWGFHPSA-N 1 0 403.482 4.134 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc(OCc4ccccn4)c3)c2c1 ZINC000554723378 942211835 /nfs/dbraw/zinc/21/18/35/942211835.db2.gz BDCCQHXSOHWQGV-UHFFFAOYSA-N 1 0 402.454 4.382 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000555598194 942661937 /nfs/dbraw/zinc/66/19/37/942661937.db2.gz UTTJKHROLIZLSW-ISKFKSNPSA-N 1 0 422.529 4.001 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3cc(C(F)(F)F)ccn3)cs2)c1 ZINC000555617109 942671498 /nfs/dbraw/zinc/67/14/98/942671498.db2.gz NPGRKCWJSSMUCA-UHFFFAOYSA-N 1 0 408.405 4.464 20 5 HIBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc21 ZINC000556280009 942832442 /nfs/dbraw/zinc/83/24/42/942832442.db2.gz RWXUOTOBTWVQPD-UHFFFAOYSA-N 1 0 420.391 4.382 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)s1 ZINC000556827872 942936581 /nfs/dbraw/zinc/93/65/81/942936581.db2.gz OXFXAFXFDYJWIP-OAHLLOKOSA-N 1 0 412.515 4.040 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000558511246 943580407 /nfs/dbraw/zinc/58/04/07/943580407.db2.gz KBCBUYWBKSNQGB-UHFFFAOYSA-N 1 0 406.433 4.031 20 5 HIBDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000558894653 943726098 /nfs/dbraw/zinc/72/60/98/943726098.db2.gz FKYHVCYCMCPGJZ-SFTDATJTSA-N 1 0 401.894 4.324 20 5 HIBDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000558894650 943726816 /nfs/dbraw/zinc/72/68/16/943726816.db2.gz FKYHVCYCMCPGJZ-LEWJYISDSA-N 1 0 401.894 4.324 20 5 HIBDRO Cc1ccc([C@H](Cn2ccnc2)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000558935322 943756149 /nfs/dbraw/zinc/75/61/49/943756149.db2.gz PPXLPPQDPKMSAN-QFIPXVFZSA-N 1 0 421.501 4.034 20 5 HIBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000559002325 943797513 /nfs/dbraw/zinc/79/75/13/943797513.db2.gz WDLIOOYAXCPCIA-UHFFFAOYSA-N 1 0 421.419 4.180 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)CCC2 ZINC000559919655 944084301 /nfs/dbraw/zinc/08/43/01/944084301.db2.gz PJDOQFMXBXGDPG-LJQANCHMSA-N 1 0 408.907 4.079 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)CCC2 ZINC000559919652 944084408 /nfs/dbraw/zinc/08/44/08/944084408.db2.gz PJDOQFMXBXGDPG-IBGZPJMESA-N 1 0 408.907 4.079 20 5 HIBDRO Cn1ccnc1[C@H](NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528597 944243504 /nfs/dbraw/zinc/24/35/04/944243504.db2.gz JFBNDVXUJUVPEO-FGZHOGPDSA-N 1 0 411.550 4.052 20 5 HIBDRO 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 944591543 /nfs/dbraw/zinc/59/15/43/944591543.db2.gz PRUUHVRUNHJDIG-OWZDWXTDSA-N 1 0 419.884 4.300 20 5 HIBDRO 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 944591624 /nfs/dbraw/zinc/59/16/24/944591624.db2.gz PRUUHVRUNHJDIG-ZSOFBXJNSA-N 1 0 419.884 4.300 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562056365 944915167 /nfs/dbraw/zinc/91/51/67/944915167.db2.gz GOUAXUPLVLOSIS-IAGOWNOFSA-N 1 0 414.893 4.234 20 5 HIBDRO COc1sc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Br ZINC000564120872 945386852 /nfs/dbraw/zinc/38/68/52/945386852.db2.gz UGZJMXGWAVUTPH-UHFFFAOYSA-N 1 0 410.293 4.241 20 5 HIBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 ZINC000564132684 945393421 /nfs/dbraw/zinc/39/34/21/945393421.db2.gz OZXKQCDDWACLTA-LBPRGKRZSA-N 1 0 409.364 4.262 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000564521256 945649447 /nfs/dbraw/zinc/64/94/47/945649447.db2.gz MSKIEMCLULXKBE-SFHVURJKSA-N 1 0 413.543 4.349 20 5 HIBDRO O=C1[C@@H]([NH2+][C@@H](Cc2ccccc2)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000565384048 945821178 /nfs/dbraw/zinc/82/11/78/945821178.db2.gz GEBBIIKAKCBDRF-PMACEKPBSA-N 1 0 407.495 4.335 20 5 HIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000565531812 945845462 /nfs/dbraw/zinc/84/54/62/945845462.db2.gz FIDHTADJRBVZCI-CXAGYDPISA-N 1 0 413.440 4.240 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)co2)cc1 ZINC000568143202 946480580 /nfs/dbraw/zinc/48/05/80/946480580.db2.gz HIIYDZVERVTGGK-LEWJYISDSA-N 1 0 418.497 4.204 20 5 HIBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000570311614 947190620 /nfs/dbraw/zinc/19/06/20/947190620.db2.gz SOHDYGGXKZTJNK-UHFFFAOYSA-N 1 0 405.502 4.031 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000570502190 947269216 /nfs/dbraw/zinc/26/92/16/947269216.db2.gz DTUKZNOUTZRSLA-ACJLOTCBSA-N 1 0 420.307 4.087 20 5 HIBDRO O=[N+]([O-])c1cc(F)c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000571063909 947457650 /nfs/dbraw/zinc/45/76/50/947457650.db2.gz VAAKRZJGKJBDKG-KRWDZBQOSA-N 1 0 417.456 4.214 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000571147028 947528584 /nfs/dbraw/zinc/52/85/84/947528584.db2.gz ZFONJCVAGVTJPF-HXUWFJFHSA-N 1 0 421.501 4.035 20 5 HIBDRO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000571336547 947604080 /nfs/dbraw/zinc/60/40/80/947604080.db2.gz JDKMBWPKKRXZMB-KGLIPLIRSA-N 1 0 403.504 4.393 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000572447648 947909444 /nfs/dbraw/zinc/90/94/44/947909444.db2.gz WGLJNITUTIRLCG-UHFFFAOYSA-N 1 0 421.238 4.013 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000573018459 948059318 /nfs/dbraw/zinc/05/93/18/948059318.db2.gz OZDIICSMEWMHHA-QRVBRYPASA-N 1 0 404.413 4.201 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000574059719 948354691 /nfs/dbraw/zinc/35/46/91/948354691.db2.gz RYGFBMUCQOQYJY-GOSISDBHSA-N 1 0 401.532 4.092 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3cccc(C(F)(F)F)n3)cs2)c1 ZINC000574774803 948523399 /nfs/dbraw/zinc/52/33/99/948523399.db2.gz XWIHYZPXVNJDPG-UHFFFAOYSA-N 1 0 408.405 4.464 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@](CO)(Cc4ccc(F)cc4)C3)o2)cc1 ZINC000574845404 948542066 /nfs/dbraw/zinc/54/20/66/948542066.db2.gz BXYKGIIGFLEHIO-QHCPKHFHSA-N 1 0 410.445 4.421 20 5 HIBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164626091 719066166 /nfs/dbraw/zinc/06/61/66/719066166.db2.gz NZWGMGHPNLCRGS-WBVHZDCISA-N 1 0 422.863 4.289 20 5 HIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618519 719074581 /nfs/dbraw/zinc/07/45/81/719074581.db2.gz AZJJVKYEHZFTDL-HOCLYGCPSA-N 1 0 407.301 4.397 20 5 HIBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164635837 719255413 /nfs/dbraw/zinc/25/54/13/719255413.db2.gz QRZQFPUQEZCMLE-DLBZAZTESA-N 1 0 406.486 4.251 20 5 HIBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164726928 720441588 /nfs/dbraw/zinc/44/15/88/720441588.db2.gz CGXQVXMDKRWWSJ-MOPGFXCFSA-N 1 0 409.877 4.045 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001165027357 721810390 /nfs/dbraw/zinc/81/03/90/721810390.db2.gz UJIWKYVKKWDXPU-HLAWJBBLSA-N 1 0 417.513 4.275 20 5 HIBDRO C[C@H]1CCC[C@@](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)([NH+](C)C)C1 ZINC000436151325 861449221 /nfs/dbraw/zinc/44/92/21/861449221.db2.gz LLHRNPKEWWXUHZ-IZHWHUGBSA-N 1 0 409.505 4.061 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCCC2)cc1 ZINC000006330313 845191540 /nfs/dbraw/zinc/19/15/40/845191540.db2.gz HQXKPHXKKNGKIC-HXUWFJFHSA-N 1 0 417.893 4.214 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436246829 861556758 /nfs/dbraw/zinc/55/67/58/861556758.db2.gz QXYIDZRIUMERJJ-BRWVUGGUSA-N 1 0 421.516 4.298 20 5 HIBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492135 845345016 /nfs/dbraw/zinc/34/50/16/845345016.db2.gz XOVOIHYYMSRCRE-UHFFFAOYSA-N 1 0 419.934 4.121 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000019538762 846367234 /nfs/dbraw/zinc/36/72/34/846367234.db2.gz NGGGSJVFJPWAHG-OAQYLSRUSA-N 1 0 405.454 4.116 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000023994717 846769745 /nfs/dbraw/zinc/76/97/45/846769745.db2.gz ZKIRNFARLOZFSD-NWDGAFQWSA-N 1 0 422.279 4.044 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000026225753 847106542 /nfs/dbraw/zinc/10/65/42/847106542.db2.gz WBTBBAGIBPENRX-UHFFFAOYSA-N 1 0 411.380 4.083 20 5 HIBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000027334791 847284390 /nfs/dbraw/zinc/28/43/90/847284390.db2.gz VJOODHVRJRDAFS-OAQYLSRUSA-N 1 0 420.469 4.498 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000030509474 847725041 /nfs/dbraw/zinc/72/50/41/847725041.db2.gz NPWFTCNIXBVPON-VXGBXAGGSA-N 1 0 422.279 4.044 20 5 HIBDRO CCOC(=O)c1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc([N+](=O)[O-])c1 ZINC000031621256 847919004 /nfs/dbraw/zinc/91/90/04/847919004.db2.gz ZVWKHTOHWYLUHJ-UHFFFAOYSA-N 1 0 411.458 4.010 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000031987087 847975655 /nfs/dbraw/zinc/97/56/55/847975655.db2.gz OVCHMFZCPYZBDW-KSSFIOAISA-N 1 0 407.561 4.336 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000041894401 848262782 /nfs/dbraw/zinc/26/27/82/848262782.db2.gz BDENJRJACNJQQH-ZDUSSCGKSA-N 1 0 414.487 4.235 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000043126742 848386623 /nfs/dbraw/zinc/38/66/23/848386623.db2.gz RMEJUPKMDINCGW-UHFFFAOYSA-N 1 0 406.508 4.041 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000043301774 848406644 /nfs/dbraw/zinc/40/66/44/848406644.db2.gz OBYAFZWCLFJKCS-HUUCEWRRSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000045789350 848728274 /nfs/dbraw/zinc/72/82/74/848728274.db2.gz QWWHCRKPNVTKIK-SFHVURJKSA-N 1 0 410.518 4.168 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000050629634 849400063 /nfs/dbraw/zinc/40/00/63/849400063.db2.gz ZWYXBPGTENTKHL-RVKKMQEKSA-N 1 0 414.531 4.196 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000052833946 849633461 /nfs/dbraw/zinc/63/34/61/849633461.db2.gz HJXYETGOLKARDG-UHFFFAOYSA-N 1 0 405.292 4.195 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000055152139 849978373 /nfs/dbraw/zinc/97/83/73/849978373.db2.gz KVJHWORSORDGQR-LSDHHAIUSA-N 1 0 401.463 4.068 20 5 HIBDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056161992 850264978 /nfs/dbraw/zinc/26/49/78/850264978.db2.gz PBLSXIVIGBUHBC-GJZGRUSLSA-N 1 0 401.463 4.070 20 5 HIBDRO CC[NH+](CC)CCN(C(=O)c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000059935221 851026088 /nfs/dbraw/zinc/02/60/88/851026088.db2.gz QVWRXOIHYGAFTQ-UHFFFAOYSA-N 1 0 420.307 4.346 20 5 HIBDRO Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858158 851233022 /nfs/dbraw/zinc/23/30/22/851233022.db2.gz PHQJAKJFXVGXIR-UHFFFAOYSA-N 1 0 403.486 4.437 20 5 HIBDRO O=C(NCCC[NH+]1CCCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000061238919 851326581 /nfs/dbraw/zinc/32/65/81/851326581.db2.gz FHNMVEIXWJDYNY-UHFFFAOYSA-N 1 0 416.909 4.076 20 5 HIBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503522 851391173 /nfs/dbraw/zinc/39/11/73/851391173.db2.gz MYQQELNMAZVGJY-UHFFFAOYSA-N 1 0 411.502 4.056 20 5 HIBDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000062488643 851564003 /nfs/dbraw/zinc/56/40/03/851564003.db2.gz ROFUHAMIAKPBRV-HNNXBMFYSA-N 1 0 404.898 4.083 20 5 HIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063560067 851714073 /nfs/dbraw/zinc/71/40/73/851714073.db2.gz DLMCTIBKVCTUKU-GOSISDBHSA-N 1 0 412.408 4.264 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000437103833 862292059 /nfs/dbraw/zinc/29/20/59/862292059.db2.gz MBMDKCCRSFDCQH-QWRGUYRKSA-N 1 0 412.309 4.487 20 5 HIBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000064448187 851900214 /nfs/dbraw/zinc/90/02/14/851900214.db2.gz CZXYAGBAXMOIIV-UHFFFAOYSA-N 1 0 421.419 4.350 20 5 HIBDRO Cc1sc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000065938962 852327650 /nfs/dbraw/zinc/32/76/50/852327650.db2.gz ODBSIDAMPBWZQX-UHFFFAOYSA-N 1 0 415.437 4.188 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000072006898 852461907 /nfs/dbraw/zinc/46/19/07/852461907.db2.gz UYXSDNSZMLBGAN-OAQYLSRUSA-N 1 0 413.543 4.276 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000437208663 862399294 /nfs/dbraw/zinc/39/92/94/862399294.db2.gz MPMXZLWVRSJSFW-HNNXBMFYSA-N 1 0 413.440 4.342 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110066913 853055517 /nfs/dbraw/zinc/05/55/17/853055517.db2.gz PWOKTQFYWPIJIR-UHFFFAOYSA-N 1 0 406.486 4.382 20 5 HIBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)C[C@@H](C)O1 ZINC000110414255 853097703 /nfs/dbraw/zinc/09/77/03/853097703.db2.gz HOGXYGHFQPDYDM-RTBURBONSA-N 1 0 417.553 4.349 20 5 HIBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000115926305 853273256 /nfs/dbraw/zinc/27/32/56/853273256.db2.gz BCOFRDZPPJJPOD-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000140106141 853434683 /nfs/dbraw/zinc/43/46/83/853434683.db2.gz YNJKRPFAQWIPSL-QHCPKHFHSA-N 1 0 419.481 4.424 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140149081 853435848 /nfs/dbraw/zinc/43/58/48/853435848.db2.gz VCTLPWFBEALWCN-HOTGVXAUSA-N 1 0 419.572 4.165 20 5 HIBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000215713484 853836286 /nfs/dbraw/zinc/83/62/86/853836286.db2.gz OJWAZFFYIJOFEC-IBGZPJMESA-N 1 0 422.510 4.285 20 5 HIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000216557953 853856001 /nfs/dbraw/zinc/85/60/01/853856001.db2.gz BZIMJAFDXVBONW-AWEZNQCLSA-N 1 0 400.385 4.303 20 5 HIBDRO COc1ccc([C@H]([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000217114159 853860473 /nfs/dbraw/zinc/86/04/73/853860473.db2.gz KNGXXZMTLPAVGY-LJQANCHMSA-N 1 0 408.401 4.454 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC[N@@H+]4CCCC[C@@H]34)o2)c(Br)c1 ZINC000236569500 853899644 /nfs/dbraw/zinc/89/96/44/853899644.db2.gz NIEDXKVNRWPGMS-MSOLQXFVSA-N 1 0 420.307 4.334 20 5 HIBDRO CC(=O)N1CCC([NH2+]Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 ZINC000236610443 853902538 /nfs/dbraw/zinc/90/25/38/853902538.db2.gz PPRRZHKXFUZUCP-UHFFFAOYSA-N 1 0 421.856 4.280 20 5 HIBDRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000236687533 853911482 /nfs/dbraw/zinc/91/14/82/853911482.db2.gz IRAQCGVHNAXFIG-DLBZAZTESA-N 1 0 401.532 4.496 20 5 HIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)c1 ZINC000236778162 853921237 /nfs/dbraw/zinc/92/12/37/853921237.db2.gz IKKWSZPBXHMPCJ-UHFFFAOYSA-N 1 0 405.292 4.195 20 5 HIBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236873338 853931253 /nfs/dbraw/zinc/93/12/53/853931253.db2.gz RJXPYOFIDOXWLO-GFCCVEGCSA-N 1 0 424.295 4.012 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000237008060 853950232 /nfs/dbraw/zinc/95/02/32/853950232.db2.gz LEJUPHLIDDORJD-HXUWFJFHSA-N 1 0 411.502 4.145 20 5 HIBDRO C[NH+](C)[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000237172748 853975379 /nfs/dbraw/zinc/97/53/79/853975379.db2.gz CMFTZDDVGICCQR-KRWDZBQOSA-N 1 0 408.296 4.047 20 5 HIBDRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237346402 854010570 /nfs/dbraw/zinc/01/05/70/854010570.db2.gz YGZOABNKQHYSAJ-UHFFFAOYSA-N 1 0 416.524 4.158 20 5 HIBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000237389034 854020166 /nfs/dbraw/zinc/02/01/66/854020166.db2.gz MCGQGXXQXUPSLX-AWEZNQCLSA-N 1 0 400.866 4.206 20 5 HIBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237399860 854023589 /nfs/dbraw/zinc/02/35/89/854023589.db2.gz YAJJTKHDHSOIMM-ZBFHGGJFSA-N 1 0 406.866 4.324 20 5 HIBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237456728 854037091 /nfs/dbraw/zinc/03/70/91/854037091.db2.gz VGCXGSHNCKGVPE-KBXCAEBGSA-N 1 0 406.866 4.324 20 5 HIBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237458623 854037183 /nfs/dbraw/zinc/03/71/83/854037183.db2.gz VGCXGSHNCKGVPE-KSSFIOAISA-N 1 0 406.866 4.324 20 5 HIBDRO Cc1cc(Br)ccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237554379 854053336 /nfs/dbraw/zinc/05/33/36/854053336.db2.gz PDKDUADYYHWNGD-UHFFFAOYSA-N 1 0 415.291 4.356 20 5 HIBDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000237559707 854054042 /nfs/dbraw/zinc/05/40/42/854054042.db2.gz TWACOGXSNDOMGT-FXAWDEMLSA-N 1 0 417.513 4.162 20 5 HIBDRO Cc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000237649559 854067627 /nfs/dbraw/zinc/06/76/27/854067627.db2.gz LNIDOGCAXHZRMK-QHCPKHFHSA-N 1 0 419.529 4.230 20 5 HIBDRO Cn1cc(C[NH2+]CCOc2cccc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237760436 854091023 /nfs/dbraw/zinc/09/10/23/854091023.db2.gz STAAFDKVEMKISQ-UHFFFAOYSA-N 1 0 402.454 4.317 20 5 HIBDRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237773691 854093774 /nfs/dbraw/zinc/09/37/74/854093774.db2.gz SRRUUNWFAABKJP-UHFFFAOYSA-N 1 0 402.401 4.195 20 5 HIBDRO O=C(NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccs1 ZINC000237815077 854102381 /nfs/dbraw/zinc/10/23/81/854102381.db2.gz WCXSNDDCTJSBJM-UHFFFAOYSA-N 1 0 419.890 4.479 20 5 HIBDRO Cc1cccn2cc(COc3ccc(C[NH2+]Cc4ccccc4[N+](=O)[O-])cc3)nc12 ZINC000237856683 854109456 /nfs/dbraw/zinc/10/94/56/854109456.db2.gz HSLBKTOLPPGAMO-UHFFFAOYSA-N 1 0 402.454 4.420 20 5 HIBDRO Cn1cc(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 ZINC000237899338 854117113 /nfs/dbraw/zinc/11/71/13/854117113.db2.gz PXLXEUFMDGENRD-UHFFFAOYSA-N 1 0 419.279 4.073 20 5 HIBDRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000237935717 854121782 /nfs/dbraw/zinc/12/17/82/854121782.db2.gz RPCZYUJWFQAGMK-GOEBONIOSA-N 1 0 403.866 4.174 20 5 HIBDRO Cn1cc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933731 854121807 /nfs/dbraw/zinc/12/18/07/854121807.db2.gz AQBPVYRJUHRJKJ-UHFFFAOYSA-N 1 0 420.391 4.226 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCc2nnc3n2CCCCC3)s1 ZINC000237958438 854125664 /nfs/dbraw/zinc/12/56/64/854125664.db2.gz HEKYYDVOXUGPJF-UHFFFAOYSA-N 1 0 411.531 4.364 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccc3N3CCOCC3)s2)cc1 ZINC000238001561 854131483 /nfs/dbraw/zinc/13/14/83/854131483.db2.gz YDPHVMMUEXUSLJ-UHFFFAOYSA-N 1 0 409.511 4.450 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(CN4CCOCC4)c3)s2)cc1 ZINC000238002543 854131741 /nfs/dbraw/zinc/13/17/41/854131741.db2.gz LMWHEACBTXRTNH-UHFFFAOYSA-N 1 0 423.538 4.445 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000248180990 854183836 /nfs/dbraw/zinc/18/38/36/854183836.db2.gz DHJAJRHFFQNEII-LJQANCHMSA-N 1 0 405.882 4.070 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301534363 854415069 /nfs/dbraw/zinc/41/50/69/854415069.db2.gz LDWFVPFOELIBSY-XLIONFOSSA-N 1 0 410.518 4.198 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCOCC1)c1ccccc1 ZINC000301598024 854427270 /nfs/dbraw/zinc/42/72/70/854427270.db2.gz XFILYPDJPHLLNE-KRWDZBQOSA-N 1 0 406.486 4.455 20 5 HIBDRO Cc1nc(N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000301632380 854434122 /nfs/dbraw/zinc/43/41/22/854434122.db2.gz JQMDUKMIKZMTOW-UHFFFAOYSA-N 1 0 408.424 4.418 20 5 HIBDRO O=C(c1ccccc1)c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000301712332 854450553 /nfs/dbraw/zinc/45/05/53/854450553.db2.gz VNDGUQBOBIZPKF-FYYLOGMGSA-N 1 0 423.513 4.006 20 5 HIBDRO O=C(c1ccccc1)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301753788 854459580 /nfs/dbraw/zinc/45/95/80/854459580.db2.gz CAPZKXNJWAARRK-PZJWPPBQSA-N 1 0 405.498 4.279 20 5 HIBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000301923384 854494256 /nfs/dbraw/zinc/49/42/56/854494256.db2.gz HEXKXBDIGFFRFZ-UHFFFAOYSA-N 1 0 408.424 4.418 20 5 HIBDRO Cc1cc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302104321 854531139 /nfs/dbraw/zinc/53/11/39/854531139.db2.gz WNFLVUFQZHNERW-QGZVFWFLSA-N 1 0 404.470 4.098 20 5 HIBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000302667996 854600778 /nfs/dbraw/zinc/60/07/78/854600778.db2.gz RHCUWMBXGMOSFT-QZTJIDSGSA-N 1 0 424.545 4.069 20 5 HIBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000303156777 854790348 /nfs/dbraw/zinc/79/03/48/854790348.db2.gz SLVIMKRQGLEDLF-INIZCTEOSA-N 1 0 408.458 4.141 20 5 HIBDRO COc1cc(OCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)ccc1[N+](=O)[O-] ZINC000303370622 854896413 /nfs/dbraw/zinc/89/64/13/854896413.db2.gz LKBPQVUVOXGWBX-UHFFFAOYSA-N 1 0 424.457 4.218 20 5 HIBDRO O=C1[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303420480 854923331 /nfs/dbraw/zinc/92/33/31/854923331.db2.gz UNAVFEOUYLYROI-DHIUTWEWSA-N 1 0 401.466 4.274 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000303745830 855167923 /nfs/dbraw/zinc/16/79/23/855167923.db2.gz JWMZBERHVRXDDS-DYESRHJHSA-N 1 0 422.529 4.294 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000303775427 855192043 /nfs/dbraw/zinc/19/20/43/855192043.db2.gz JXLQTEVBKFDOPW-CQSZACIVSA-N 1 0 405.882 4.148 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000303844266 855241056 /nfs/dbraw/zinc/24/10/56/855241056.db2.gz IYERCLAQPNFNGR-UKRRQHHQSA-N 1 0 420.560 4.066 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000303864504 855258714 /nfs/dbraw/zinc/25/87/14/855258714.db2.gz HACLDQYQNQJOOV-UHFFFAOYSA-N 1 0 401.463 4.360 20 5 HIBDRO COCC1(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 ZINC000409844657 855683694 /nfs/dbraw/zinc/68/36/94/855683694.db2.gz NCOWZICJDTUILU-IBGZPJMESA-N 1 0 417.893 4.334 20 5 HIBDRO Cc1ccc(-n2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(C(C)(C)C)n2)cc1 ZINC000425994164 856035340 /nfs/dbraw/zinc/03/53/40/856035340.db2.gz FUFQPSLCTVPQDG-UHFFFAOYSA-N 1 0 422.533 4.420 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4ccccc4nc3N3CCCCC3)CC2)n1 ZINC000425993686 856035634 /nfs/dbraw/zinc/03/56/34/856035634.db2.gz MHVLKECQESFCID-UHFFFAOYSA-N 1 0 420.517 4.167 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426249673 856201630 /nfs/dbraw/zinc/20/16/30/856201630.db2.gz GBKZIQUEHVCDOL-QFIPXVFZSA-N 1 0 408.502 4.106 20 5 HIBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000426570503 856353239 /nfs/dbraw/zinc/35/32/39/856353239.db2.gz MFIHBXSAMMVVOF-MRXNPFEDSA-N 1 0 401.532 4.008 20 5 HIBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000426890886 856528510 /nfs/dbraw/zinc/52/85/10/856528510.db2.gz MPPBUBZPFVZCLH-UHFFFAOYSA-N 1 0 423.513 4.264 20 5 HIBDRO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427570256 856871848 /nfs/dbraw/zinc/87/18/48/856871848.db2.gz SOWMFNPBWRRXNO-IBGZPJMESA-N 1 0 411.477 4.137 20 5 HIBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000428080248 857064853 /nfs/dbraw/zinc/06/48/53/857064853.db2.gz YQWCESQSOBIYMQ-OAQYLSRUSA-N 1 0 406.486 4.183 20 5 HIBDRO COc1cc(C[N@H+](C)CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000428447446 857206208 /nfs/dbraw/zinc/20/62/08/857206208.db2.gz MNEQTYBSVQUHBS-UHFFFAOYSA-N 1 0 420.428 4.062 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000429405379 857646904 /nfs/dbraw/zinc/64/69/04/857646904.db2.gz HTBOSXMSHYNJFE-HZPDHXFCSA-N 1 0 421.335 4.119 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000429405381 857647322 /nfs/dbraw/zinc/64/73/22/857647322.db2.gz HTBOSXMSHYNJFE-JKSUJKDBSA-N 1 0 421.335 4.119 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000429423008 857658606 /nfs/dbraw/zinc/65/86/06/857658606.db2.gz XWZFMFCXWGNFNQ-HOCLYGCPSA-N 1 0 407.308 4.168 20 5 HIBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000430107075 858033986 /nfs/dbraw/zinc/03/39/86/858033986.db2.gz SRDFYUOLKCMLEH-QFIPXVFZSA-N 1 0 423.494 4.035 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000430195232 858076240 /nfs/dbraw/zinc/07/62/40/858076240.db2.gz NPFAVBOMASGUBT-UHFFFAOYSA-N 1 0 400.475 4.054 20 5 HIBDRO COc1cc(CN(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000430265361 858101748 /nfs/dbraw/zinc/10/17/48/858101748.db2.gz VAWVWPJLHBIBDA-UHFFFAOYSA-N 1 0 400.866 4.193 20 5 HIBDRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000431133687 858462228 /nfs/dbraw/zinc/46/22/28/858462228.db2.gz UPPDVJQIIHMONG-UHFFFAOYSA-N 1 0 417.531 4.052 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431335701 858571063 /nfs/dbraw/zinc/57/10/63/858571063.db2.gz DZRVWIZYZIHHOX-GJZGRUSLSA-N 1 0 424.339 4.084 20 5 HIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431518401 858653494 /nfs/dbraw/zinc/65/34/94/858653494.db2.gz AQDBOGWDSTYODK-UHFFFAOYSA-N 1 0 404.264 4.205 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431671303 858729005 /nfs/dbraw/zinc/72/90/05/858729005.db2.gz SWGFQQBPDZHWQK-PXNSSMCTSA-N 1 0 410.518 4.182 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433115786 859527041 /nfs/dbraw/zinc/52/70/41/859527041.db2.gz JGRAODKBKXABJF-ALLBUHFWSA-N 1 0 417.575 4.041 20 5 HIBDRO CC1(C)C[C@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433115791 859527196 /nfs/dbraw/zinc/52/71/96/859527196.db2.gz JGRAODKBKXABJF-PMTKGXAQSA-N 1 0 417.575 4.041 20 5 HIBDRO C[C@H]1CN(Cc2cccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168080 859550165 /nfs/dbraw/zinc/55/01/65/859550165.db2.gz LHHPJPXRXQJSJH-GAJHUEQPSA-N 1 0 409.530 4.328 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@]3(O)CCO[C@@H]3C)cc2[N+](=O)[O-])c1 ZINC000433188233 859558744 /nfs/dbraw/zinc/55/87/44/859558744.db2.gz BQGOKGJDFDLTQX-UZUQRXQVSA-N 1 0 414.502 4.448 20 5 HIBDRO COC[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433201033 859564126 /nfs/dbraw/zinc/56/41/26/859564126.db2.gz UHDAKHSGQOCPJY-MJGOQNOKSA-N 1 0 406.866 4.324 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H](c3ccccc3)C3(CO)CCC3)o2)c1 ZINC000433301355 859626143 /nfs/dbraw/zinc/62/61/43/859626143.db2.gz VGWMBIWNLNUARU-QFIPXVFZSA-N 1 0 407.470 4.286 20 5 HIBDRO Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435300654 860726555 /nfs/dbraw/zinc/72/65/55/860726555.db2.gz VWJQZWSFBXEUEK-FQEVSTJZSA-N 1 0 419.485 4.107 20 5 HIBDRO Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435300655 860726839 /nfs/dbraw/zinc/72/68/39/860726839.db2.gz VWJQZWSFBXEUEK-HXUWFJFHSA-N 1 0 419.485 4.107 20 5 HIBDRO Cc1c(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435330164 860741613 /nfs/dbraw/zinc/74/16/13/860741613.db2.gz RYRNDGRQAIVGKW-AWEZNQCLSA-N 1 0 413.316 4.004 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccccc1Cl ZINC000435649068 860934721 /nfs/dbraw/zinc/93/47/21/860934721.db2.gz XXWOEFCVFOIGNA-QGZVFWFLSA-N 1 0 405.882 4.070 20 5 HIBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467807042 881631453 /nfs/dbraw/zinc/63/14/53/881631453.db2.gz LQUMCSPCKYKSLB-UGSOOPFHSA-N 1 0 415.877 4.253 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437927685 863304436 /nfs/dbraw/zinc/30/44/36/863304436.db2.gz OEXQZMNTVCUDBU-UHFFFAOYSA-N 1 0 422.529 4.455 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000437979985 863347192 /nfs/dbraw/zinc/34/71/92/863347192.db2.gz ZNHOEEHGQHGKJY-RXVVDRJESA-N 1 0 422.529 4.322 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000437979986 863347392 /nfs/dbraw/zinc/34/73/92/863347392.db2.gz ZNHOEEHGQHGKJY-WIYYLYMNSA-N 1 0 422.529 4.322 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438341242 863813836 /nfs/dbraw/zinc/81/38/36/863813836.db2.gz APZMWKDCKANZOI-NRFANRHFSA-N 1 0 400.523 4.066 20 5 HIBDRO Cc1c(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000438904826 864384102 /nfs/dbraw/zinc/38/41/02/864384102.db2.gz VFFFOOVDIDINCX-IBGZPJMESA-N 1 0 401.532 4.097 20 5 HIBDRO Cc1c(CC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000439038658 864493115 /nfs/dbraw/zinc/49/31/15/864493115.db2.gz IGXFEACNSSUNFL-UHFFFAOYSA-N 1 0 417.509 4.491 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000439169053 864598197 /nfs/dbraw/zinc/59/81/97/864598197.db2.gz MCSHDYJIQWIPRS-ACJLOTCBSA-N 1 0 407.923 4.431 20 5 HIBDRO CC(C)(C[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cccc1Cl ZINC000439654437 864980854 /nfs/dbraw/zinc/98/08/54/864980854.db2.gz YVFWVIQXDBWMRU-KRWDZBQOSA-N 1 0 405.857 4.060 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000439907016 865217140 /nfs/dbraw/zinc/21/71/40/865217140.db2.gz XGFACICKOMEABW-UHFFFAOYSA-N 1 0 418.538 4.359 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440445422 865746980 /nfs/dbraw/zinc/74/69/80/865746980.db2.gz RFNRZXORAPDJLP-QGZVFWFLSA-N 1 0 421.419 4.121 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000441196849 866265991 /nfs/dbraw/zinc/26/59/91/866265991.db2.gz NBHMGLVOVLDKPO-PMACEKPBSA-N 1 0 400.475 4.230 20 5 HIBDRO COc1ccc(OCC[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000441409884 866483698 /nfs/dbraw/zinc/48/36/98/866483698.db2.gz KGHKDLFJXWIWGT-UHFFFAOYSA-N 1 0 413.449 4.482 20 5 HIBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442853117 867698829 /nfs/dbraw/zinc/69/88/29/867698829.db2.gz UFQFGFNEJZQGSY-UHFFFAOYSA-N 1 0 411.527 4.493 20 5 HIBDRO CN(CC[NH+](C)C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000443209563 867876208 /nfs/dbraw/zinc/87/62/08/867876208.db2.gz FXDSTNHHERKZSF-VKAVYKQESA-N 1 0 424.526 4.155 20 5 HIBDRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250673 882156196 /nfs/dbraw/zinc/15/61/96/882156196.db2.gz LPSPEKKGMCYRNP-JKSUJKDBSA-N 1 0 404.536 4.028 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589286 868144982 /nfs/dbraw/zinc/14/49/82/868144982.db2.gz DDORBLIIXACVRT-INIZCTEOSA-N 1 0 422.957 4.163 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)CC(C)C ZINC000444008436 868529968 /nfs/dbraw/zinc/52/99/68/868529968.db2.gz IPDZXHLLZKMYOY-INIZCTEOSA-N 1 0 411.521 4.307 20 5 HIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000444677075 868952869 /nfs/dbraw/zinc/95/28/69/868952869.db2.gz PFSHMUXSZVVCOZ-GFCCVEGCSA-N 1 0 403.389 4.019 20 5 HIBDRO COc1ccc(OCC[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)c([N+](=O)[O-])c1 ZINC000444766806 868993648 /nfs/dbraw/zinc/99/36/48/868993648.db2.gz NJFICKSAPIBUDO-UHFFFAOYSA-N 1 0 411.458 4.311 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[N@@H+]1Cc1ccccc1 ZINC000444990852 869147897 /nfs/dbraw/zinc/14/78/97/869147897.db2.gz JQJBOVLBLYISRC-MJGOQNOKSA-N 1 0 411.505 4.074 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445172311 869258368 /nfs/dbraw/zinc/25/83/68/869258368.db2.gz KCEBHXOAYBUIEL-KZNAEPCWSA-N 1 0 403.526 4.159 20 5 HIBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445181149 869263868 /nfs/dbraw/zinc/26/38/68/869263868.db2.gz HAZXBIKGIJTHIK-KRWDZBQOSA-N 1 0 405.542 4.312 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000446002339 869965464 /nfs/dbraw/zinc/96/54/64/869965464.db2.gz MDYBTIKSTZHWKR-UWWQBHOKSA-N 1 0 424.419 4.279 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000446974331 870871767 /nfs/dbraw/zinc/87/17/67/870871767.db2.gz ICBZJBXIABJMLM-TWOQFEAHSA-N 1 0 422.447 4.164 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@]3(CCO)CCOC3)cc2[N+](=O)[O-])c1 ZINC000447071144 870951228 /nfs/dbraw/zinc/95/12/28/870951228.db2.gz ZUJODOZSVCUMPP-HSZRJFAPSA-N 1 0 414.502 4.450 20 5 HIBDRO O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000447378048 871284599 /nfs/dbraw/zinc/28/45/99/871284599.db2.gz ZKRRTEHQAUHMFA-GFCCVEGCSA-N 1 0 422.304 4.044 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1OC(F)F ZINC000447525647 871390766 /nfs/dbraw/zinc/39/07/66/871390766.db2.gz APGQVVRSQSRJNK-CABCVRRESA-N 1 0 410.421 4.065 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)n1 ZINC000447527361 871392915 /nfs/dbraw/zinc/39/29/15/871392915.db2.gz FQSNBHCDCINJEN-RTBURBONSA-N 1 0 411.437 4.391 20 5 HIBDRO COc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1OC1CCCC1 ZINC000447531647 871395123 /nfs/dbraw/zinc/39/51/23/871395123.db2.gz SBIUZFCZDHUWNU-RBUKOAKNSA-N 1 0 414.506 4.395 20 5 HIBDRO CSc1nnc(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1CC(C)C ZINC000447536378 871400912 /nfs/dbraw/zinc/40/09/12/871400912.db2.gz MSZYWPBETJRZDC-SFHVURJKSA-N 1 0 403.552 4.164 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)n1 ZINC000447564357 871458185 /nfs/dbraw/zinc/45/81/85/871458185.db2.gz WTSMMOYUIBMYJL-MOPGFXCFSA-N 1 0 411.437 4.391 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000447570034 871468509 /nfs/dbraw/zinc/46/85/09/871468509.db2.gz RHCCBINECHPDIY-CVEARBPZSA-N 1 0 411.531 4.376 20 5 HIBDRO COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447585507 871492847 /nfs/dbraw/zinc/49/28/47/871492847.db2.gz JKVPKFJWJIYBKH-IXDOHACOSA-N 1 0 404.536 4.302 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)n1 ZINC000447590359 871496997 /nfs/dbraw/zinc/49/69/97/871496997.db2.gz CALLIXLWJUWMOZ-YXJHDRRASA-N 1 0 423.439 4.162 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000447670202 871599648 /nfs/dbraw/zinc/59/96/48/871599648.db2.gz ITKHZDZEKUQIEI-DGCLKSJQSA-N 1 0 420.382 4.097 20 5 HIBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000447722177 871665723 /nfs/dbraw/zinc/66/57/23/871665723.db2.gz ILJAXXKEHMXJHH-INIZCTEOSA-N 1 0 419.865 4.041 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447726383 871674359 /nfs/dbraw/zinc/67/43/59/871674359.db2.gz GOAQLHCZSDPEDM-LRDDRELGSA-N 1 0 419.865 4.039 20 5 HIBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448357288 872304173 /nfs/dbraw/zinc/30/41/73/872304173.db2.gz WGGVWVFTNPNLRF-LAUBAEHRSA-N 1 0 414.502 4.308 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448450634 872397748 /nfs/dbraw/zinc/39/77/48/872397748.db2.gz VKUCVRAISDJMCE-JTSKRJEESA-N 1 0 421.497 4.476 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000468636550 882770991 /nfs/dbraw/zinc/77/09/91/882770991.db2.gz CSBCXKOLEXPGLU-PIJNTSGSSA-N 1 0 410.392 4.046 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000468646448 882782432 /nfs/dbraw/zinc/78/24/32/882782432.db2.gz XLHNSUHUBWKLSW-VKAVYKQESA-N 1 0 400.523 4.094 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000468652800 882788817 /nfs/dbraw/zinc/78/88/17/882788817.db2.gz SKOFYKXHLWXTHH-ZWUNQBBJSA-N 1 0 409.530 4.488 20 5 HIBDRO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461864420 875015505 /nfs/dbraw/zinc/01/55/05/875015505.db2.gz KQHZSIQHFVDTEM-SCLBCKFNSA-N 1 0 411.428 4.151 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462553067 875677902 /nfs/dbraw/zinc/67/79/02/875677902.db2.gz QNZYYXHCPUTWFH-UGKGYDQZSA-N 1 0 412.486 4.230 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462553064 875678094 /nfs/dbraw/zinc/67/80/94/875678094.db2.gz QNZYYXHCPUTWFH-DENIHFKCSA-N 1 0 412.486 4.230 20 5 HIBDRO Cc1cc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462693636 875784654 /nfs/dbraw/zinc/78/46/54/875784654.db2.gz XIOHXWVINHUVTB-INIZCTEOSA-N 1 0 409.515 4.305 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC000462959854 875974363 /nfs/dbraw/zinc/97/43/63/875974363.db2.gz WMHIXUJUUXHGGB-GOSISDBHSA-N 1 0 410.518 4.324 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](n4cccn4)C3)o2)c(Br)c1 ZINC000463032277 876052266 /nfs/dbraw/zinc/05/22/66/876052266.db2.gz HRTZXCLTZVDZEY-CQSZACIVSA-N 1 0 417.263 4.261 20 5 HIBDRO Cc1cnc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000463059688 876087790 /nfs/dbraw/zinc/08/77/90/876087790.db2.gz ZNVLNGRRBFIFTQ-UHFFFAOYSA-N 1 0 417.513 4.233 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccsc1 ZINC000463105222 876141516 /nfs/dbraw/zinc/14/15/16/876141516.db2.gz FZDBIRBDLYAJAN-INIZCTEOSA-N 1 0 415.437 4.488 20 5 HIBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000463197908 876258026 /nfs/dbraw/zinc/25/80/26/876258026.db2.gz KIGDQUICCLSKAO-OTNPHJDUSA-N 1 0 413.518 4.444 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463438252 876495419 /nfs/dbraw/zinc/49/54/19/876495419.db2.gz WMGNRQKIOHHXFH-SFHVURJKSA-N 1 0 407.392 4.181 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H](CO)c3ccc(Br)cc3)o2)c1 ZINC000503243652 912224026 /nfs/dbraw/zinc/22/40/26/912224026.db2.gz IHFLGMLCTMGBFS-SFHVURJKSA-N 1 0 417.259 4.441 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[NH+](C)C ZINC000464406613 877609432 /nfs/dbraw/zinc/60/94/32/877609432.db2.gz OFIQSEXXVSHVMS-UGSOOPFHSA-N 1 0 409.408 4.343 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732515 877969808 /nfs/dbraw/zinc/96/98/08/877969808.db2.gz HKSVKILURLTFTM-GDBMZVCRSA-N 1 0 401.429 4.169 20 5 HIBDRO Cc1ccc(CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]2CCCO2)cc1 ZINC000464774094 878017288 /nfs/dbraw/zinc/01/72/88/878017288.db2.gz HYRNHNHBZBTYSI-NRFANRHFSA-N 1 0 422.485 4.177 20 5 HIBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000464780511 878023850 /nfs/dbraw/zinc/02/38/50/878023850.db2.gz QPLWTUBGQSCOSQ-HSZRJFAPSA-N 1 0 423.513 4.022 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]C[C@H]1CCCS1)c1ccccc1 ZINC000464985875 878334679 /nfs/dbraw/zinc/33/46/79/878334679.db2.gz QXBWYRSSORGLPZ-QAPCUYQASA-N 1 0 405.907 4.413 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000465180948 878569647 /nfs/dbraw/zinc/56/96/47/878569647.db2.gz BQOVZXDMLIHONG-OAHLLOKOSA-N 1 0 408.458 4.049 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000503417001 912402072 /nfs/dbraw/zinc/40/20/72/912402072.db2.gz DQXREQPBHFJBOJ-UHFFFAOYSA-N 1 0 405.495 4.098 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467219733 880950251 /nfs/dbraw/zinc/95/02/51/880950251.db2.gz UDLUMOOBHPYJLU-UHFFFAOYSA-N 1 0 404.898 4.042 20 5 HIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469934070 884129578 /nfs/dbraw/zinc/12/95/78/884129578.db2.gz VFNGAZSVRCVXRW-HXUWFJFHSA-N 1 0 403.526 4.105 20 5 HIBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@@H]1C ZINC000470155581 884427949 /nfs/dbraw/zinc/42/79/49/884427949.db2.gz ZOGUFBAYVIXXMV-BXUZGUMPSA-N 1 0 423.263 4.001 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000470178227 884460600 /nfs/dbraw/zinc/46/06/00/884460600.db2.gz JCJFVKQGINVVBP-SAPNQHFASA-N 1 0 400.523 4.094 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470665968 885093721 /nfs/dbraw/zinc/09/37/21/885093721.db2.gz GYBVOSAGQRLPEL-YLJYHZDGSA-N 1 0 413.543 4.198 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000470911104 885420609 /nfs/dbraw/zinc/42/06/09/885420609.db2.gz PJTUKVBKUINYCH-SFHVURJKSA-N 1 0 415.465 4.052 20 5 HIBDRO Nc1c(F)c(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000471244010 885821358 /nfs/dbraw/zinc/82/13/58/885821358.db2.gz MMBUIYPVQGQEBC-UHFFFAOYSA-N 1 0 412.387 4.047 20 5 HIBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000471988156 886815205 /nfs/dbraw/zinc/81/52/05/886815205.db2.gz HIGFNPTUFQAJAJ-SIKLNZKXSA-N 1 0 424.501 4.320 20 5 HIBDRO COc1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472044768 886860853 /nfs/dbraw/zinc/86/08/53/886860853.db2.gz VDULZQIHGVUVEW-LJQANCHMSA-N 1 0 414.483 4.067 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000472075982 886878190 /nfs/dbraw/zinc/87/81/90/886878190.db2.gz XMJCJDNQXVROIS-OAQYLSRUSA-N 1 0 420.494 4.332 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCc3ccccn3)cc2)n1 ZINC000472634052 887498995 /nfs/dbraw/zinc/49/89/95/887498995.db2.gz ABVXBXLNOAQDKK-NHCUHLMSSA-N 1 0 407.474 4.039 20 5 HIBDRO COc1cccc(C=C2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000473016176 887844212 /nfs/dbraw/zinc/84/42/12/887844212.db2.gz VNGVJTVGIGOFPI-UHFFFAOYSA-N 1 0 409.486 4.420 20 5 HIBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473690360 888464379 /nfs/dbraw/zinc/46/43/79/888464379.db2.gz ORZFXKZCRLHUMU-APWZRJJASA-N 1 0 412.490 4.293 20 5 HIBDRO C[C@H](NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000473953367 888825886 /nfs/dbraw/zinc/82/58/86/888825886.db2.gz SVZSMPKXNXYSLU-BZSNNMDCSA-N 1 0 410.518 4.112 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000474003904 888862288 /nfs/dbraw/zinc/86/22/88/888862288.db2.gz ZPSBQFMWNLZGIK-FDDCHVKYSA-N 1 0 412.486 4.196 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000474349696 889225774 /nfs/dbraw/zinc/22/57/74/889225774.db2.gz ABBBOXMLRUCEPI-QKAVXHIFSA-N 1 0 418.877 4.287 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+]C(C)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000474356218 889234889 /nfs/dbraw/zinc/23/48/89/889234889.db2.gz QMXMMHBBGQDUCP-UHFFFAOYSA-N 1 0 420.465 4.200 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000474359825 889238698 /nfs/dbraw/zinc/23/86/98/889238698.db2.gz FINONMWFNZHMRC-HNNXBMFYSA-N 1 0 422.890 4.127 20 5 HIBDRO CCNc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000474830552 889688344 /nfs/dbraw/zinc/68/83/44/889688344.db2.gz HZFPFNRNRHMVEH-DEOSSOPVSA-N 1 0 422.529 4.155 20 5 HIBDRO CCNc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000474830553 889688705 /nfs/dbraw/zinc/68/87/05/889688705.db2.gz HZFPFNRNRHMVEH-XMMPIXPASA-N 1 0 422.529 4.155 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000475192553 890061725 /nfs/dbraw/zinc/06/17/25/890061725.db2.gz QXFCXAFQECDEOY-LRDDRELGSA-N 1 0 412.412 4.094 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000475207789 890076980 /nfs/dbraw/zinc/07/69/80/890076980.db2.gz BIRNZFHQGGVLAW-MAUKXSAKSA-N 1 0 421.339 4.335 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475286233 890185159 /nfs/dbraw/zinc/18/51/59/890185159.db2.gz PISANKRUVGHFOS-JOCHJYFZSA-N 1 0 400.475 4.183 20 5 HIBDRO Cc1ccc([C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000475334888 890254557 /nfs/dbraw/zinc/25/45/57/890254557.db2.gz FLHHZLRDVDRLRN-SBUREZEXSA-N 1 0 404.470 4.395 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CC3CCC3)o2)c(Br)c1 ZINC000475508770 890426065 /nfs/dbraw/zinc/42/60/65/890426065.db2.gz AEUPQCJSZGBESH-ZDUSSCGKSA-N 1 0 409.280 4.258 20 5 HIBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC[N@@H+]2C2CC2)c1 ZINC000475564631 890494097 /nfs/dbraw/zinc/49/40/97/890494097.db2.gz NBIWFSYPHQVXEJ-SIKLNZKXSA-N 1 0 424.501 4.320 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000475643395 890585607 /nfs/dbraw/zinc/58/56/07/890585607.db2.gz WWLQJRPPQCCOLY-MRXNPFEDSA-N 1 0 402.520 4.307 20 5 HIBDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066012 891999098 /nfs/dbraw/zinc/99/90/98/891999098.db2.gz MTFDOEGCOZCPGW-HOLBHBGLSA-N 1 0 413.499 4.223 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000504900462 913632378 /nfs/dbraw/zinc/63/23/78/913632378.db2.gz YHGMGUIBKRPEBF-SFHVURJKSA-N 1 0 419.522 4.231 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000504900063 913632556 /nfs/dbraw/zinc/63/25/56/913632556.db2.gz QMSMDSDKWQKIEA-LLVKDONJSA-N 1 0 413.421 4.111 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000477298432 892260481 /nfs/dbraw/zinc/26/04/81/892260481.db2.gz UDDGFPZEFNREJN-NRFANRHFSA-N 1 0 413.493 4.038 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911114 913645159 /nfs/dbraw/zinc/64/51/59/913645159.db2.gz AOZIVSWWPUMHAW-ROUUACIJSA-N 1 0 413.518 4.065 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CC2(c3ccc(OC)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000504912044 913647493 /nfs/dbraw/zinc/64/74/93/913647493.db2.gz PEUTWWBKNYANQD-KRWDZBQOSA-N 1 0 414.502 4.401 20 5 HIBDRO COc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc([N+](=O)[O-])c1C ZINC000477670545 892803632 /nfs/dbraw/zinc/80/36/32/892803632.db2.gz SDYCLQCIOYFLOJ-MRXNPFEDSA-N 1 0 403.523 4.029 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000477923261 893009397 /nfs/dbraw/zinc/00/93/97/893009397.db2.gz OFUVAIVSMWLBMN-SBUREZEXSA-N 1 0 412.436 4.403 20 5 HIBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000477929434 893017318 /nfs/dbraw/zinc/01/73/18/893017318.db2.gz HVSHQSHRPCHLQI-BVSLBCMMSA-N 1 0 407.514 4.005 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000478352117 893597792 /nfs/dbraw/zinc/59/77/92/893597792.db2.gz UNVDQQXOOXOLSA-GOSISDBHSA-N 1 0 412.534 4.053 20 5 HIBDRO Cc1c(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000479778382 895081332 /nfs/dbraw/zinc/08/13/32/895081332.db2.gz XAORSGWRZPLLCX-GOSISDBHSA-N 1 0 424.423 4.024 20 5 HIBDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000479991549 895343447 /nfs/dbraw/zinc/34/34/47/895343447.db2.gz UWFWIZUDIVMVQD-UHFFFAOYSA-N 1 0 400.454 4.161 20 5 HIBDRO CC(C)(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000480003822 895355969 /nfs/dbraw/zinc/35/59/69/895355969.db2.gz YXSCEVCFDRWSAU-UHFFFAOYSA-N 1 0 411.502 4.376 20 5 HIBDRO Cc1c(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cccc1[N+](=O)[O-] ZINC000480503212 895872515 /nfs/dbraw/zinc/87/25/15/895872515.db2.gz XLHMIRPGCPJJEY-UHFFFAOYSA-N 1 0 401.264 4.141 20 5 HIBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000480674293 896038614 /nfs/dbraw/zinc/03/86/14/896038614.db2.gz YADLIPYHHVEPQM-UEXGIBASSA-N 1 0 416.543 4.066 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000480696967 896058735 /nfs/dbraw/zinc/05/87/35/896058735.db2.gz JWQDAEXUIPAZHG-DLBZAZTESA-N 1 0 422.572 4.226 20 5 HIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481361813 896741092 /nfs/dbraw/zinc/74/10/92/896741092.db2.gz SISVJDLQCBGKEQ-ADLMAVQZSA-N 1 0 412.273 4.206 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000481420122 896822989 /nfs/dbraw/zinc/82/29/89/896822989.db2.gz BQRPUXAITNYBOA-FQEVSTJZSA-N 1 0 400.479 4.115 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000481658754 897042855 /nfs/dbraw/zinc/04/28/55/897042855.db2.gz MPGMXWYWKQOKNZ-MRXNPFEDSA-N 1 0 413.543 4.479 20 5 HIBDRO NC(=O)c1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)c([N+](=O)[O-])c1 ZINC000505457370 914126881 /nfs/dbraw/zinc/12/68/81/914126881.db2.gz KMUJNFHOTZQVQY-UHFFFAOYSA-N 1 0 407.392 4.272 20 5 HIBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481861298 897229387 /nfs/dbraw/zinc/22/93/87/897229387.db2.gz DIRFDQRPHPKVCS-LAUBAEHRSA-N 1 0 413.905 4.375 20 5 HIBDRO CCc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481875677 897247835 /nfs/dbraw/zinc/24/78/35/897247835.db2.gz QGJPRVHTKZIRAT-FGZHOGPDSA-N 1 0 407.514 4.284 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000481952323 897340655 /nfs/dbraw/zinc/34/06/55/897340655.db2.gz UCNHGQKIYBUQEY-HRAATJIYSA-N 1 0 403.910 4.281 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482146737 897608747 /nfs/dbraw/zinc/60/87/47/897608747.db2.gz BGLCZFCCXOBNTJ-IEZWGBDMSA-N 1 0 401.511 4.196 20 5 HIBDRO CCC[C@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482256649 897737892 /nfs/dbraw/zinc/73/78/92/897737892.db2.gz NFEITABSEYCBEG-MOPGFXCFSA-N 1 0 401.532 4.451 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482408678 897951723 /nfs/dbraw/zinc/95/17/23/897951723.db2.gz VVWNQRLPZFSCOQ-HSZRJFAPSA-N 1 0 404.470 4.017 20 5 HIBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037884 898704314 /nfs/dbraw/zinc/70/43/14/898704314.db2.gz FGJJLQKKJDBDPA-GMAHTHKFSA-N 1 0 411.502 4.474 20 5 HIBDRO C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H](c1ccccc1)[NH+](C)C ZINC000505592057 914299370 /nfs/dbraw/zinc/29/93/70/914299370.db2.gz QSVNECRZIPSJFJ-CMJOXMDJSA-N 1 0 417.484 4.242 20 5 HIBDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000484648131 900093082 /nfs/dbraw/zinc/09/30/82/900093082.db2.gz CPGONTVMQACHCS-WOJBJXKFSA-N 1 0 408.458 4.433 20 5 HIBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000484900053 900280260 /nfs/dbraw/zinc/28/02/60/900280260.db2.gz MLHRSLGLRZRZBT-KRWDZBQOSA-N 1 0 401.894 4.280 20 5 HIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccncc3)CC2)nc1-c1ccc(F)cc1 ZINC000485403985 900702425 /nfs/dbraw/zinc/70/24/25/900702425.db2.gz KXXHIVIITKGAKB-UHFFFAOYSA-N 1 0 407.449 4.267 20 5 HIBDRO CSc1cccc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485500207 900789919 /nfs/dbraw/zinc/78/99/19/900789919.db2.gz XOJLLQYVCTVLNE-FUHWJXTLSA-N 1 0 413.543 4.347 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000485509405 900796381 /nfs/dbraw/zinc/79/63/81/900796381.db2.gz HCQYKMWBQVSVME-KRWDZBQOSA-N 1 0 410.518 4.398 20 5 HIBDRO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000485881668 901117627 /nfs/dbraw/zinc/11/76/27/901117627.db2.gz GHPLNCHEGDUZGH-NVXWUHKLSA-N 1 0 417.456 4.100 20 5 HIBDRO C[NH+](C)CC1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCCC1 ZINC000486146725 901334848 /nfs/dbraw/zinc/33/48/48/901334848.db2.gz HJJBMEHYMMCAOS-UHFFFAOYSA-N 1 0 411.502 4.026 20 5 HIBDRO CSc1cccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225366 901408848 /nfs/dbraw/zinc/40/88/48/901408848.db2.gz MNQNYHKSPTZLHO-CXAGYDPISA-N 1 0 405.545 4.191 20 5 HIBDRO CSc1cccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1[N+](=O)[O-] ZINC000486239014 901420574 /nfs/dbraw/zinc/42/05/74/901420574.db2.gz GTFPBXBLMNBZMK-UHFFFAOYSA-N 1 0 417.556 4.426 20 5 HIBDRO C[C@H]([NH2+]C1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1)c1ccccc1 ZINC000486242672 901425276 /nfs/dbraw/zinc/42/52/76/901425276.db2.gz IJPMXJCCBPTHCX-HNNXBMFYSA-N 1 0 417.456 4.195 20 5 HIBDRO CSc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000486478551 901637842 /nfs/dbraw/zinc/63/78/42/901637842.db2.gz LSHQGQKCKHXSPJ-MRXNPFEDSA-N 1 0 413.543 4.479 20 5 HIBDRO CSc1cccc(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000486559764 901705581 /nfs/dbraw/zinc/70/55/81/901705581.db2.gz UIGVEJMFIQKFJM-SFHVURJKSA-N 1 0 401.532 4.203 20 5 HIBDRO C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000487182100 902089642 /nfs/dbraw/zinc/08/96/42/902089642.db2.gz ABGIIQLVFNYQKH-IIBYNOLFSA-N 1 0 404.470 4.078 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487516294 902231486 /nfs/dbraw/zinc/23/14/86/902231486.db2.gz HTXZIRGUGZEBRG-RDTXWAMCSA-N 1 0 402.882 4.280 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487935584 902465956 /nfs/dbraw/zinc/46/59/56/902465956.db2.gz NQJGMKFANJROFL-AOMKIAJQSA-N 1 0 418.453 4.238 20 5 HIBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000488940880 903088876 /nfs/dbraw/zinc/08/88/76/903088876.db2.gz JMANJBUILNQCBZ-MRXNPFEDSA-N 1 0 411.527 4.493 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000489029667 903134924 /nfs/dbraw/zinc/13/49/24/903134924.db2.gz BQLRCLLTVQFFFJ-UHFFFAOYSA-N 1 0 405.564 4.480 20 5 HIBDRO C[C@H]([NH2+][C@@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489040722 903146071 /nfs/dbraw/zinc/14/60/71/903146071.db2.gz WIZXNWATSCTONC-LIRRHRJNSA-N 1 0 403.454 4.144 20 5 HIBDRO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1c1ccccc1F ZINC000489109367 903201255 /nfs/dbraw/zinc/20/12/55/903201255.db2.gz YKTXMQSNMWAVOM-SFHVURJKSA-N 1 0 411.458 4.358 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCCCC1 ZINC000489385895 903357758 /nfs/dbraw/zinc/35/77/58/903357758.db2.gz DMNNTQWOFORCJJ-NRFANRHFSA-N 1 0 422.485 4.042 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489486772 903415549 /nfs/dbraw/zinc/41/55/49/903415549.db2.gz SIGWVAXBTZMKKD-XLIONFOSSA-N 1 0 410.518 4.040 20 5 HIBDRO CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000489917241 903674310 /nfs/dbraw/zinc/67/43/10/903674310.db2.gz WVGABZRDHMMGIM-ZWKOTPCHSA-N 1 0 402.520 4.244 20 5 HIBDRO 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 903721643 /nfs/dbraw/zinc/72/16/43/903721643.db2.gz OLRBUACCAGBVCM-UFHDJZAFSA-N 1 0 417.550 4.287 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000491045216 904394050 /nfs/dbraw/zinc/39/40/50/904394050.db2.gz BAOPJOSZDDTPLC-KRWDZBQOSA-N 1 0 401.894 4.232 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000492070049 904785392 /nfs/dbraw/zinc/78/53/92/904785392.db2.gz REASPSOHJNZFGD-UHFFFAOYSA-N 1 0 401.894 4.410 20 5 HIBDRO CCc1cc(N2CCC([NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC000493128210 905026529 /nfs/dbraw/zinc/02/65/29/905026529.db2.gz JTSKDEZXHBNLIA-XMMPIXPASA-N 1 0 417.513 4.295 20 5 HIBDRO CC(C)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000493605083 905172349 /nfs/dbraw/zinc/17/23/49/905172349.db2.gz LYSIYJKFXKOXOL-UHFFFAOYSA-N 1 0 411.502 4.168 20 5 HIBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCN(CCc2ccccn2)CC1 ZINC000512390012 921125717 /nfs/dbraw/zinc/12/57/17/921125717.db2.gz XBONLQLLCJMZGA-UHFFFAOYSA-N 1 0 420.513 4.389 20 5 HIBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC[C@H]21 ZINC000493928084 905280218 /nfs/dbraw/zinc/28/02/18/905280218.db2.gz QNDZPCQNWGMQTN-OXQOHEQNSA-N 1 0 411.527 4.302 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000512399621 921135437 /nfs/dbraw/zinc/13/54/37/921135437.db2.gz VMBDVCKGNLJNHT-ICSRJNTNSA-N 1 0 410.518 4.037 20 5 HIBDRO O=C(C1CCC1)N(CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494030460 905371612 /nfs/dbraw/zinc/37/16/12/905371612.db2.gz WIPHUSIBLYMPQM-HSZRJFAPSA-N 1 0 407.514 4.455 20 5 HIBDRO O=C(NCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000494064173 905401940 /nfs/dbraw/zinc/40/19/40/905401940.db2.gz FQQBCTNCCHPECH-JOCHJYFZSA-N 1 0 407.445 4.233 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000494077273 905415378 /nfs/dbraw/zinc/41/53/78/905415378.db2.gz GUHIAOISCHUCFC-OXQOHEQNSA-N 1 0 413.543 4.488 20 5 HIBDRO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000494257716 905582568 /nfs/dbraw/zinc/58/25/68/905582568.db2.gz TZLGRLWEDKCXRH-MSOLQXFVSA-N 1 0 411.502 4.024 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494279586 905602476 /nfs/dbraw/zinc/60/24/76/905602476.db2.gz LXRAHZCNEMXRJY-UHFFFAOYSA-N 1 0 424.270 4.265 20 5 HIBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000512455231 921173058 /nfs/dbraw/zinc/17/30/58/921173058.db2.gz BODDZIAQBKEXGZ-MRXNPFEDSA-N 1 0 401.532 4.308 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494487463 905770773 /nfs/dbraw/zinc/77/07/73/905770773.db2.gz WTLJKWQYWPZSMO-XLIONFOSSA-N 1 0 421.856 4.144 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494490462 905775426 /nfs/dbraw/zinc/77/54/26/905775426.db2.gz GWTNGXSQLSCCAQ-QUCCMNQESA-N 1 0 403.866 4.005 20 5 HIBDRO Cc1ccc([C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000494986899 906151695 /nfs/dbraw/zinc/15/16/95/906151695.db2.gz HDLJYYIMSTWBIX-HSZRJFAPSA-N 1 0 424.522 4.228 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000495437776 906452221 /nfs/dbraw/zinc/45/22/21/906452221.db2.gz DASYHXMSCDHVMI-GFCCVEGCSA-N 1 0 422.279 4.045 20 5 HIBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000496282762 906646675 /nfs/dbraw/zinc/64/66/75/906646675.db2.gz JQSMFIKDGVAOBQ-SFHVURJKSA-N 1 0 420.494 4.343 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000512609920 921259424 /nfs/dbraw/zinc/25/94/24/921259424.db2.gz SRFWBIXJKLKWRN-DLBZAZTESA-N 1 0 416.522 4.198 20 5 HIBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497101898 906805463 /nfs/dbraw/zinc/80/54/63/906805463.db2.gz ZFYDZCPXJPCKOC-PZJWPPBQSA-N 1 0 414.502 4.165 20 5 HIBDRO Cn1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512690860 921288832 /nfs/dbraw/zinc/28/88/32/921288832.db2.gz QAJJPZWGJQDCLV-UHFFFAOYSA-N 1 0 410.449 4.178 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000497694392 907199925 /nfs/dbraw/zinc/19/99/25/907199925.db2.gz VOWYZRUNYZBZCT-UHFFFAOYSA-N 1 0 403.567 4.479 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000498071928 907580285 /nfs/dbraw/zinc/58/02/85/907580285.db2.gz SYINAPMIPLRHAB-UHFFFAOYSA-N 1 0 408.285 4.296 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000498350026 907852165 /nfs/dbraw/zinc/85/21/65/907852165.db2.gz OVMVFHPYXDUSGV-PBHICJAKSA-N 1 0 402.344 4.318 20 5 HIBDRO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000498356985 907855880 /nfs/dbraw/zinc/85/58/80/907855880.db2.gz WAPOCQFOXUFOGI-UHFFFAOYSA-N 1 0 407.923 4.471 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498507084 907980975 /nfs/dbraw/zinc/98/09/75/907980975.db2.gz BTIYPLCCJSKDFA-ROUUACIJSA-N 1 0 405.564 4.046 20 5 HIBDRO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706349 908131230 /nfs/dbraw/zinc/13/12/30/908131230.db2.gz FYDMYFSQXNWOMZ-GHTZIAJQSA-N 1 0 422.529 4.179 20 5 HIBDRO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498713426 908138972 /nfs/dbraw/zinc/13/89/72/908138972.db2.gz IPBWGCWCVATZQC-IEBWSBKVSA-N 1 0 410.518 4.040 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000499914617 909029769 /nfs/dbraw/zinc/02/97/69/909029769.db2.gz VESFHNNUFBXDJU-QFIPXVFZSA-N 1 0 410.518 4.001 20 5 HIBDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500099116 909578751 /nfs/dbraw/zinc/57/87/51/909578751.db2.gz RVYOHQMUUVPATJ-HXUWFJFHSA-N 1 0 407.474 4.130 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)c1ccccc1 ZINC000513056693 921513957 /nfs/dbraw/zinc/51/39/57/921513957.db2.gz KIFWFADJDUIWSK-GOSISDBHSA-N 1 0 419.481 4.497 20 5 HIBDRO 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 921525844 /nfs/dbraw/zinc/52/58/44/921525844.db2.gz YZZWKZWLJCQXSY-HNULKUCHSA-N 1 0 417.550 4.287 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@H](C)C(=O)NCCF)cc2[N+](=O)[O-])c1 ZINC000500418058 909845596 /nfs/dbraw/zinc/84/55/96/909845596.db2.gz XPBBDMWXQYURSN-MRXNPFEDSA-N 1 0 417.481 4.383 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000500626645 909975889 /nfs/dbraw/zinc/97/58/89/909975889.db2.gz UBLJZEOVUAWCCP-TZIWHRDSSA-N 1 0 424.545 4.079 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000500844243 910118614 /nfs/dbraw/zinc/11/86/14/910118614.db2.gz SBCOHAUSMZAMCS-MAUKXSAKSA-N 1 0 422.510 4.284 20 5 HIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000501716024 910784007 /nfs/dbraw/zinc/78/40/07/910784007.db2.gz MBCKCTRFIHQDNI-GOSISDBHSA-N 1 0 411.506 4.135 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1SC ZINC000502222812 911170450 /nfs/dbraw/zinc/17/04/50/911170450.db2.gz RJWDJBLATAVQBN-UHFFFAOYSA-N 1 0 421.563 4.098 20 5 HIBDRO COC1(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 ZINC000502597152 911600746 /nfs/dbraw/zinc/60/07/46/911600746.db2.gz RBSRYAJIIDLLJL-SFHVURJKSA-N 1 0 403.866 4.087 20 5 HIBDRO CCCOc1cc(NC(=O)NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCCC ZINC000506279344 914880184 /nfs/dbraw/zinc/88/01/84/914880184.db2.gz AVUIRDZABVRPBA-UHFFFAOYSA-N 1 0 422.526 4.026 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474783 915075547 /nfs/dbraw/zinc/07/55/47/915075547.db2.gz POWCYSJCGABJFL-RTBURBONSA-N 1 0 412.534 4.379 20 5 HIBDRO CCC[N@H+](C)Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(OCC)c1 ZINC000506497189 915110136 /nfs/dbraw/zinc/11/01/36/915110136.db2.gz VMTWFCCEGUNOLZ-UHFFFAOYSA-N 1 0 416.474 4.281 20 5 HIBDRO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506499188 915115976 /nfs/dbraw/zinc/11/59/76/915115976.db2.gz JUTBHOJHENRCAR-UHFFFAOYSA-N 1 0 411.502 4.469 20 5 HIBDRO CC[NH+]1CCC(N(C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000506647547 915317591 /nfs/dbraw/zinc/31/75/91/915317591.db2.gz WOTITDQQSRXQFN-UHFFFAOYSA-N 1 0 413.518 4.099 20 5 HIBDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000513409672 921778946 /nfs/dbraw/zinc/77/89/46/921778946.db2.gz XVOGOUIIJCSVPJ-UHFFFAOYSA-N 1 0 405.882 4.199 20 5 HIBDRO CNC(=O)c1ccc(NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000507105855 915871860 /nfs/dbraw/zinc/87/18/60/915871860.db2.gz WTTGWRJEPFPIQY-IAGOWNOFSA-N 1 0 410.518 4.044 20 5 HIBDRO CC[NH+](CC)[C@@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000507115528 915875451 /nfs/dbraw/zinc/87/54/51/915875451.db2.gz JDDXKVMEFCUDEU-IBGZPJMESA-N 1 0 404.898 4.103 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](C)CCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000507308388 916070286 /nfs/dbraw/zinc/07/02/86/916070286.db2.gz YVEBNQODZUDORA-UHFFFAOYSA-N 1 0 407.470 4.260 20 5 HIBDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507462630 916231345 /nfs/dbraw/zinc/23/13/45/916231345.db2.gz FIVSGJNDEBXGOG-LSDHHAIUSA-N 1 0 403.504 4.011 20 5 HIBDRO Cc1ccc(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] ZINC000508049156 916876889 /nfs/dbraw/zinc/87/68/89/916876889.db2.gz VMQVJBFVCFTDKI-UHFFFAOYSA-N 1 0 406.486 4.312 20 5 HIBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000508183294 917004964 /nfs/dbraw/zinc/00/49/64/917004964.db2.gz QVPBPJJBLWVRMG-UHFFFAOYSA-N 1 0 411.502 4.122 20 5 HIBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000508459599 917243724 /nfs/dbraw/zinc/24/37/24/917243724.db2.gz VFEIOXKJWPGXKD-UHFFFAOYSA-N 1 0 401.466 4.430 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](Cc4nccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000508681781 917445702 /nfs/dbraw/zinc/44/57/02/917445702.db2.gz VZZLMASPPLRRNN-INIZCTEOSA-N 1 0 410.474 4.052 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000508898895 917654581 /nfs/dbraw/zinc/65/45/81/917654581.db2.gz SBCWOFCHDQXSEV-JTSKRJEESA-N 1 0 410.518 4.269 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000508898897 917655147 /nfs/dbraw/zinc/65/51/47/917655147.db2.gz SBCWOFCHDQXSEV-VGSWGCGISA-N 1 0 410.518 4.269 20 5 HIBDRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3cccc([N+](=O)[O-])c3C)CC2)c1C ZINC000509072698 917818470 /nfs/dbraw/zinc/81/84/70/917818470.db2.gz ZPKGFHYCZVIMIP-UHFFFAOYSA-N 1 0 412.534 4.020 20 5 HIBDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000509580922 918230124 /nfs/dbraw/zinc/23/01/24/918230124.db2.gz VBPSWYFBFVCGNY-UHFFFAOYSA-N 1 0 401.532 4.402 20 5 HIBDRO COc1cc(C[NH2+]CC(C)(C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1O ZINC000509594576 918244998 /nfs/dbraw/zinc/24/49/98/918244998.db2.gz UQFKCHFMTMQWJV-UHFFFAOYSA-N 1 0 409.280 4.139 20 5 HIBDRO COc1cc(CNCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509615205 918265189 /nfs/dbraw/zinc/26/51/89/918265189.db2.gz DBLZNWCKVZRCRB-GOSISDBHSA-N 1 0 413.518 4.146 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000509640822 918282754 /nfs/dbraw/zinc/28/27/54/918282754.db2.gz NYFKUNACSYWTAA-JOCHJYFZSA-N 1 0 424.545 4.079 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[NH+]2CCCC2)o1 ZINC000509730611 918354052 /nfs/dbraw/zinc/35/40/52/918354052.db2.gz SYJPABAEFVXUMF-HXUWFJFHSA-N 1 0 414.506 4.253 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCCC(C)(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000510493726 918942550 /nfs/dbraw/zinc/94/25/50/918942550.db2.gz WXZBIXQEGKULNF-UHFFFAOYSA-N 1 0 416.522 4.199 20 5 HIBDRO C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510800370 919271263 /nfs/dbraw/zinc/27/12/63/919271263.db2.gz QEAYRMDUZUYWRU-HOCLYGCPSA-N 1 0 414.531 4.101 20 5 HIBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000510835729 919316776 /nfs/dbraw/zinc/31/67/76/919316776.db2.gz FZMBWPPXVZQAIU-QGZVFWFLSA-N 1 0 420.416 4.155 20 5 HIBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000510927844 919447897 /nfs/dbraw/zinc/44/78/97/919447897.db2.gz ILQHWECZKNGYRR-UONOGXRCSA-N 1 0 424.339 4.049 20 5 HIBDRO O=C(CC[NH+]1CCC([C@H](F)c2ccccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000511075928 919677723 /nfs/dbraw/zinc/67/77/23/919677723.db2.gz URDCKHITWMHRDT-NRFANRHFSA-N 1 0 403.429 4.485 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511270689 919869548 /nfs/dbraw/zinc/86/95/48/919869548.db2.gz SFECTRZDFWVGNF-JKSUJKDBSA-N 1 0 405.564 4.478 20 5 HIBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000511634553 920298865 /nfs/dbraw/zinc/29/88/65/920298865.db2.gz NVERRPPXGICQKJ-UHFFFAOYSA-N 1 0 410.518 4.200 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)co2)cc1 ZINC000511781441 920473105 /nfs/dbraw/zinc/47/31/05/920473105.db2.gz NTKJFRUTKVJWSH-YPAWHYETSA-N 1 0 405.454 4.254 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511880493 920613375 /nfs/dbraw/zinc/61/33/75/920613375.db2.gz VRGADFSOMUDEGX-SBHAEUEKSA-N 1 0 409.486 4.200 20 5 HIBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000512193123 920937241 /nfs/dbraw/zinc/93/72/41/920937241.db2.gz FLYJBKNHBFWKMU-QFIPXVFZSA-N 1 0 424.545 4.079 20 5 HIBDRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000512210978 920956439 /nfs/dbraw/zinc/95/64/39/920956439.db2.gz HQXPLSNXLPLDLG-UHFFFAOYSA-N 1 0 424.545 4.443 20 5 HIBDRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513483911 921838295 /nfs/dbraw/zinc/83/82/95/921838295.db2.gz GUEMVBLCAHSVQP-GOSISDBHSA-N 1 0 423.307 4.008 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@@H]3COCCO3)cc2[N+](=O)[O-])c1 ZINC000513642542 921967058 /nfs/dbraw/zinc/96/70/58/921967058.db2.gz IFOZDHXQAGAHIU-GOSISDBHSA-N 1 0 400.475 4.324 20 5 HIBDRO CC[NH+](CC)[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513761807 922079021 /nfs/dbraw/zinc/07/90/21/922079021.db2.gz OWQDNOGLPHIVJW-FGZHOGPDSA-N 1 0 407.518 4.090 20 5 HIBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000513787001 922113120 /nfs/dbraw/zinc/11/31/20/922113120.db2.gz RGPNBDKTJFFZFH-PUHATCMVSA-N 1 0 421.541 4.129 20 5 HIBDRO COC1CCN(C2(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000513832146 922160246 /nfs/dbraw/zinc/16/02/46/922160246.db2.gz DMZQDDHFKDOPMP-DENIHFKCSA-N 1 0 415.578 4.319 20 5 HIBDRO CCC1(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000514044157 922365168 /nfs/dbraw/zinc/36/51/68/922365168.db2.gz FTIPPRFWVCSWEH-UHFFFAOYSA-N 1 0 411.502 4.026 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514075277 922398914 /nfs/dbraw/zinc/39/89/14/922398914.db2.gz CMYDTLHURLGADH-PMOQBDJRSA-N 1 0 424.497 4.230 20 5 HIBDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1 ZINC000514763668 922792462 /nfs/dbraw/zinc/79/24/62/922792462.db2.gz NUFKZGWTQYWWGC-KRWDZBQOSA-N 1 0 408.458 4.108 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000516553342 923792806 /nfs/dbraw/zinc/79/28/06/923792806.db2.gz OWIZEGGWQZBJHK-QZTJIDSGSA-N 1 0 410.518 4.072 20 5 HIBDRO COc1cc(C[NH2+]C[C@H](O)C2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517551754 924260898 /nfs/dbraw/zinc/26/08/98/924260898.db2.gz SQLVRRFJUDWJKL-NRFANRHFSA-N 1 0 414.502 4.213 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000517710831 926807860 /nfs/dbraw/zinc/80/78/60/926807860.db2.gz BPPOVZLIQDHQDJ-AWEZNQCLSA-N 1 0 410.392 4.364 20 5 HIBDRO O=C1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000518280387 927137509 /nfs/dbraw/zinc/13/75/09/927137509.db2.gz JKKWKXFDKNOTCM-LJQANCHMSA-N 1 0 407.495 4.214 20 5 HIBDRO O=C1[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000518283198 927141049 /nfs/dbraw/zinc/14/10/49/927141049.db2.gz JHFSVSWRQFBRBE-IAGOWNOFSA-N 1 0 403.891 4.180 20 5 HIBDRO CC1CCN(c2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000518759661 927479629 /nfs/dbraw/zinc/47/96/29/927479629.db2.gz VBCOZZSNUBGVOT-LJQANCHMSA-N 1 0 416.566 4.216 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)C[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518783635 927489933 /nfs/dbraw/zinc/48/99/33/927489933.db2.gz QGEVQVWDMGPPHX-OXQOHEQNSA-N 1 0 400.475 4.230 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518831447 927526797 /nfs/dbraw/zinc/52/67/97/927526797.db2.gz CLUPKPUSWHZZLW-OAHLLOKOSA-N 1 0 419.909 4.174 20 5 HIBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C1CC1 ZINC000520034361 928257299 /nfs/dbraw/zinc/25/72/99/928257299.db2.gz PBVSAOJDCOOMHZ-UHFFFAOYSA-N 1 0 405.907 4.223 20 5 HIBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520106509 928315189 /nfs/dbraw/zinc/31/51/89/928315189.db2.gz ZOPGYHZRDSZTLO-UHFFFAOYSA-N 1 0 401.850 4.198 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](c3ccccc3)N3CCOCC3)s2)cc1 ZINC000520192580 928379020 /nfs/dbraw/zinc/37/90/20/928379020.db2.gz MVMXYRKDASYBRD-JOCHJYFZSA-N 1 0 423.538 4.486 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000520321898 928485622 /nfs/dbraw/zinc/48/56/22/928485622.db2.gz OQHLNEQOKNMCRY-UHFFFAOYSA-N 1 0 419.485 4.326 20 5 HIBDRO Cc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000520951103 928886801 /nfs/dbraw/zinc/88/68/01/928886801.db2.gz PBHVTXRAKRRNBC-QRWLVFNGSA-N 1 0 421.900 4.247 20 5 HIBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000521039861 928953192 /nfs/dbraw/zinc/95/31/92/928953192.db2.gz JDQFZAPZABDAMR-UHFFFAOYSA-N 1 0 410.518 4.201 20 5 HIBDRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000521888133 929536129 /nfs/dbraw/zinc/53/61/29/929536129.db2.gz HASNJMQVICNOLB-UHFFFAOYSA-N 1 0 401.532 4.121 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000524685546 929796868 /nfs/dbraw/zinc/79/68/68/929796868.db2.gz KFSDWXSWHFYDBT-UHFFFAOYSA-N 1 0 405.458 4.017 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)cc2[N+](=O)[O-])cc1 ZINC000524695429 929802555 /nfs/dbraw/zinc/80/25/55/929802555.db2.gz IGOGYENYBZEGBG-HXUWFJFHSA-N 1 0 411.527 4.221 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000524705275 929805710 /nfs/dbraw/zinc/80/57/10/929805710.db2.gz RMJPIHFUCGWXKG-GOSISDBHSA-N 1 0 424.545 4.057 20 5 HIBDRO CC[NH+]1CCC(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000525245423 930103002 /nfs/dbraw/zinc/10/30/02/930103002.db2.gz DYOUTZMLMKOKJG-FQEVSTJZSA-N 1 0 416.909 4.002 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C1 ZINC000525799360 930448783 /nfs/dbraw/zinc/44/87/83/930448783.db2.gz QWKXWFCYSSRJAE-OAHLLOKOSA-N 1 0 408.458 4.049 20 5 HIBDRO COc1cc(C[N@H+](C)CCc2ccccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527358125 930644894 /nfs/dbraw/zinc/64/48/94/930644894.db2.gz NPMWMCULURFLSZ-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO CC(C)(CO)C(C)(C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000530729106 930810315 /nfs/dbraw/zinc/81/03/15/930810315.db2.gz DEXHJIAJMUQWFS-UHFFFAOYSA-N 1 0 408.502 4.334 20 5 HIBDRO CCc1cc(N2CCC([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)ncn1 ZINC000530883224 930847985 /nfs/dbraw/zinc/84/79/85/930847985.db2.gz OHSOCPHOGYAJLB-UHFFFAOYSA-N 1 0 423.542 4.434 20 5 HIBDRO O=C(NCCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CCC1 ZINC000530968027 930871823 /nfs/dbraw/zinc/87/18/23/930871823.db2.gz PJMBGXKQMSVNNA-UHFFFAOYSA-N 1 0 417.893 4.437 20 5 HIBDRO COc1cc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000530992676 930878521 /nfs/dbraw/zinc/87/85/21/930878521.db2.gz SOTNPTIKWJBETL-KRWDZBQOSA-N 1 0 422.428 4.038 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531703995 931166076 /nfs/dbraw/zinc/16/60/76/931166076.db2.gz OWZYLPJEGSWVMA-IAGOWNOFSA-N 1 0 400.498 4.288 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000531717624 931172628 /nfs/dbraw/zinc/17/26/28/931172628.db2.gz QAWJANBFRACSHP-KRWDZBQOSA-N 1 0 419.485 4.471 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000531931433 931250713 /nfs/dbraw/zinc/25/07/13/931250713.db2.gz BWNAFBXDAYYFTC-HOTGVXAUSA-N 1 0 405.520 4.037 20 5 HIBDRO CCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCc2sccc2C1 ZINC000532221814 931360384 /nfs/dbraw/zinc/36/03/84/931360384.db2.gz KLNCCOVIIFUGGP-BEFAXECRSA-N 1 0 401.532 4.369 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CCc3ncn(C)n3)cc2[N+](=O)[O-])c1 ZINC000532289109 931385808 /nfs/dbraw/zinc/38/58/08/931385808.db2.gz YJUUAPQHRAKSLK-UHFFFAOYSA-N 1 0 409.490 4.280 20 5 HIBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000532394798 931421554 /nfs/dbraw/zinc/42/15/54/931421554.db2.gz OAJAXHOKTZMWFM-INIZCTEOSA-N 1 0 403.866 4.141 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000532474523 931452464 /nfs/dbraw/zinc/45/24/64/931452464.db2.gz PNNCCQLJVVRHBI-UHFFFAOYSA-N 1 0 419.428 4.053 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532627848 931559895 /nfs/dbraw/zinc/55/98/95/931559895.db2.gz NSOWGFRNYUGQSG-IBGZPJMESA-N 1 0 412.486 4.374 20 5 HIBDRO C[N@H+](CCOc1ccc(Cl)cc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532910126 931689063 /nfs/dbraw/zinc/68/90/63/931689063.db2.gz HUMQAGIOLFBODD-UHFFFAOYSA-N 1 0 401.850 4.457 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000532961435 931716263 /nfs/dbraw/zinc/71/62/63/931716263.db2.gz MKOIFTKYPIJOQG-UHFFFAOYSA-N 1 0 403.523 4.292 20 5 HIBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532980282 931725077 /nfs/dbraw/zinc/72/50/77/931725077.db2.gz LZXXLSOCGRMHPD-AWEZNQCLSA-N 1 0 403.866 4.109 20 5 HIBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)c1 ZINC000533187711 931804791 /nfs/dbraw/zinc/80/47/91/931804791.db2.gz GYDOZWWFONVMAI-UHFFFAOYSA-N 1 0 407.293 4.072 20 5 HIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cnn(-c2ccccc2)c1 ZINC000533223435 931814201 /nfs/dbraw/zinc/81/42/01/931814201.db2.gz HEYLXUXHZZDEKU-UHFFFAOYSA-N 1 0 403.442 4.110 20 5 HIBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)Cc1ccc(OC)cc1 ZINC000533281544 931826705 /nfs/dbraw/zinc/82/67/05/931826705.db2.gz RPQXXEGWXCDIQH-CQSZACIVSA-N 1 0 405.882 4.148 20 5 HIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000533407927 931860365 /nfs/dbraw/zinc/86/03/65/931860365.db2.gz JYPOEBZFNXFALD-SJORKVTESA-N 1 0 422.957 4.163 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000533433763 931867119 /nfs/dbraw/zinc/86/71/19/931867119.db2.gz ZTPSISJSIOGGTN-UHFFFAOYSA-N 1 0 413.318 4.049 20 5 HIBDRO COc1ccc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534240212 932358969 /nfs/dbraw/zinc/35/89/69/932358969.db2.gz QZVGZTMAOJNAEN-FOIQADDNSA-N 1 0 407.873 4.179 20 5 HIBDRO C[C@H](NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000534257218 932368412 /nfs/dbraw/zinc/36/84/12/932368412.db2.gz PLIZUFBPDLGNSR-IBGZPJMESA-N 1 0 422.529 4.354 20 5 HIBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534869015 932814901 /nfs/dbraw/zinc/81/49/01/932814901.db2.gz PLRUNCHLFNSVNO-INIZCTEOSA-N 1 0 412.515 4.190 20 5 HIBDRO Cc1c(CC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962368 932862277 /nfs/dbraw/zinc/86/22/77/932862277.db2.gz CTYJOCOAZCGKKT-IERDGZPVSA-N 1 0 419.884 4.047 20 5 HIBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000535555976 933240508 /nfs/dbraw/zinc/24/05/08/933240508.db2.gz MUPOUXUJVKOMBH-JOCHJYFZSA-N 1 0 406.486 4.346 20 5 HIBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682022 933334730 /nfs/dbraw/zinc/33/47/30/933334730.db2.gz UPUVLKLUDCSWSP-AUUYWEPGSA-N 1 0 405.857 4.119 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535682578 933335703 /nfs/dbraw/zinc/33/57/03/933335703.db2.gz VTQKRQKLIKRKCQ-AUUYWEPGSA-N 1 0 405.857 4.119 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1Cc1ccccc1 ZINC000535694230 933349330 /nfs/dbraw/zinc/34/93/30/933349330.db2.gz REAVGMRJAUMMAS-FUHWJXTLSA-N 1 0 406.486 4.201 20 5 HIBDRO Cn1cc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535807446 933402875 /nfs/dbraw/zinc/40/28/75/933402875.db2.gz KZPXBPSRWDRWDE-UHFFFAOYSA-N 1 0 414.893 4.033 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000535817128 933410832 /nfs/dbraw/zinc/41/08/32/933410832.db2.gz ZNAJPYWJSFCSCE-HSZRJFAPSA-N 1 0 417.513 4.118 20 5 HIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)c1 ZINC000536093944 933641985 /nfs/dbraw/zinc/64/19/85/933641985.db2.gz CKBLBKBRVHWDSB-UHFFFAOYSA-N 1 0 401.264 4.080 20 5 HIBDRO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000537689052 938355343 /nfs/dbraw/zinc/35/53/43/938355343.db2.gz YRTXISKCRATGEC-PGRDOPGGSA-N 1 0 406.486 4.040 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538070751 938494173 /nfs/dbraw/zinc/49/41/73/938494173.db2.gz RKHYOHPAOZEFOW-GOSISDBHSA-N 1 0 404.555 4.445 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)(C)c1ccccc1 ZINC000538156451 938527330 /nfs/dbraw/zinc/52/73/30/938527330.db2.gz ZYNUIEIOALLOLQ-ZDUSSCGKSA-N 1 0 420.307 4.252 20 5 HIBDRO CC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2c(c1)OCCO2 ZINC000538179173 938540470 /nfs/dbraw/zinc/54/04/70/938540470.db2.gz LIHARVWKUJRNHF-GOSISDBHSA-N 1 0 409.442 4.304 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000538239550 938571008 /nfs/dbraw/zinc/57/10/08/938571008.db2.gz ZBAHWKRFECCFGG-INIZCTEOSA-N 1 0 420.469 4.345 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538277576 938581536 /nfs/dbraw/zinc/58/15/36/938581536.db2.gz VCWDTYWGXWDNGZ-UONOGXRCSA-N 1 0 420.307 4.194 20 5 HIBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538388667 938609119 /nfs/dbraw/zinc/60/91/19/938609119.db2.gz SMTBWAPWCQWTLR-UHFFFAOYSA-N 1 0 418.497 4.297 20 5 HIBDRO COc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716848 938688874 /nfs/dbraw/zinc/68/88/74/938688874.db2.gz GENYNJFXKYEMJO-LAUBAEHRSA-N 1 0 413.518 4.097 20 5 HIBDRO COC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538731127 938695023 /nfs/dbraw/zinc/69/50/23/938695023.db2.gz CTALIXAGLJQMMU-GOSISDBHSA-N 1 0 400.475 4.041 20 5 HIBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000538736875 938697259 /nfs/dbraw/zinc/69/72/59/938697259.db2.gz LCBRRFCVJKJNMQ-PKOBYXMFSA-N 1 0 408.545 4.111 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538749963 938700695 /nfs/dbraw/zinc/70/06/95/938700695.db2.gz QGCXUJIKMRTSTO-VQTJNVASSA-N 1 0 412.486 4.041 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000538788100 938711642 /nfs/dbraw/zinc/71/16/42/938711642.db2.gz KFOSZFTUPWTTNM-KBPBESRZSA-N 1 0 401.438 4.079 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000539094578 938801942 /nfs/dbraw/zinc/80/19/42/938801942.db2.gz WPOSXJMAOBJWMW-CGTJXYLNSA-N 1 0 407.470 4.243 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000539094582 938801972 /nfs/dbraw/zinc/80/19/72/938801972.db2.gz WPOSXJMAOBJWMW-RYQLBKOJSA-N 1 0 407.470 4.243 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000539225299 938821495 /nfs/dbraw/zinc/82/14/95/938821495.db2.gz CJODCPPJBAFDTM-IAGOWNOFSA-N 1 0 420.469 4.247 20 5 HIBDRO O=C(C[NH2+]C1(c2ccccc2)CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000539289823 938834554 /nfs/dbraw/zinc/83/45/54/938834554.db2.gz QWOQYEJGWQYTKW-UHFFFAOYSA-N 1 0 418.291 4.355 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000539308644 938838343 /nfs/dbraw/zinc/83/83/43/938838343.db2.gz OCXLBYVPBFGVBG-HXUWFJFHSA-N 1 0 403.866 4.326 20 5 HIBDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000539378194 938851636 /nfs/dbraw/zinc/85/16/36/938851636.db2.gz YRGFDUGKOJIRBV-ZDUSSCGKSA-N 1 0 406.280 4.263 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000539865225 938961250 /nfs/dbraw/zinc/96/12/50/938961250.db2.gz ISSBZPFWBXMZLC-UHFFFAOYSA-N 1 0 411.502 4.271 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)ccc1Oc1ccccc1Cl ZINC000539978715 939029075 /nfs/dbraw/zinc/02/90/75/939029075.db2.gz VNZUWDHLVXHBPR-IIBYNOLFSA-N 1 0 418.877 4.468 20 5 HIBDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000540056660 939052850 /nfs/dbraw/zinc/05/28/50/939052850.db2.gz UZOUZLMNCCCWJU-UHFFFAOYSA-N 1 0 422.485 4.211 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540066503 939056723 /nfs/dbraw/zinc/05/67/23/939056723.db2.gz JZJDQWRQEYALKX-SIKLNZKXSA-N 1 0 414.502 4.476 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000540176385 939105862 /nfs/dbraw/zinc/10/58/62/939105862.db2.gz DRHYUBIJUKORCH-MRXNPFEDSA-N 1 0 418.538 4.151 20 5 HIBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540320614 939193196 /nfs/dbraw/zinc/19/31/96/939193196.db2.gz GFQWWVKQZCQLEY-MRXNPFEDSA-N 1 0 410.474 4.047 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCC ZINC000540367128 939211977 /nfs/dbraw/zinc/21/19/77/939211977.db2.gz BJQFZSWWMLCHBK-ZDUSSCGKSA-N 1 0 421.881 4.335 20 5 HIBDRO COc1ccc2cc(CN(C)C(=O)C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000540376368 939217579 /nfs/dbraw/zinc/21/75/79/939217579.db2.gz PTBWWFRSTZUKPD-MRXNPFEDSA-N 1 0 407.470 4.066 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000540476791 939268494 /nfs/dbraw/zinc/26/84/94/939268494.db2.gz RPCPBBAKSSVQSZ-HUUCEWRRSA-N 1 0 412.515 4.211 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000540520479 939285161 /nfs/dbraw/zinc/28/51/61/939285161.db2.gz QQZCJAUOJRIGFZ-SLSDUTBNSA-N 1 0 403.866 4.182 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522136 939286594 /nfs/dbraw/zinc/28/65/94/939286594.db2.gz XCVOLCVDMGMMDI-RNODOKPDSA-N 1 0 401.438 4.119 20 5 HIBDRO COCCOc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 ZINC000540524459 939288153 /nfs/dbraw/zinc/28/81/53/939288153.db2.gz CHPJLFUOJOTZBA-UHFFFAOYSA-N 1 0 417.849 4.218 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cccc(N4CCCC4=O)c3)o2)c([N+](=O)[O-])c1 ZINC000540536550 939294980 /nfs/dbraw/zinc/29/49/80/939294980.db2.gz GSSBVJIGLJKVCG-UHFFFAOYSA-N 1 0 421.453 4.280 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000540602540 939316476 /nfs/dbraw/zinc/31/64/76/939316476.db2.gz MJHQUVMHPWGLML-UHFFFAOYSA-N 1 0 415.453 4.011 20 5 HIBDRO O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000540613793 939320504 /nfs/dbraw/zinc/32/05/04/939320504.db2.gz SWRLJINOLWNJIG-ARKLPKAPSA-N 1 0 415.493 4.125 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000540618796 939321566 /nfs/dbraw/zinc/32/15/66/939321566.db2.gz AZLDPCCUAFBYEO-LJQANCHMSA-N 1 0 417.550 4.175 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1OC ZINC000541056290 939444486 /nfs/dbraw/zinc/44/44/86/939444486.db2.gz HMMITGYICDSYBO-KSZLIROESA-N 1 0 406.523 4.277 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000541059761 939445843 /nfs/dbraw/zinc/44/58/43/939445843.db2.gz PMGITGJGGSLLJW-JENIJYKNSA-N 1 0 407.555 4.190 20 5 HIBDRO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541584876 939560597 /nfs/dbraw/zinc/56/05/97/939560597.db2.gz AQYYVYXKVUKUHH-BEFAXECRSA-N 1 0 419.522 4.488 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1ccccc1C(F)(F)F ZINC000541634157 939577847 /nfs/dbraw/zinc/57/78/47/939577847.db2.gz OCNTVOKUPFCWQL-ZIAGYGMSSA-N 1 0 421.419 4.285 20 5 HIBDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000541660087 939592488 /nfs/dbraw/zinc/59/24/88/939592488.db2.gz VTTYGBRXNGQYMU-GFCCVEGCSA-N 1 0 418.906 4.193 20 5 HIBDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000541660088 939592591 /nfs/dbraw/zinc/59/25/91/939592591.db2.gz VTTYGBRXNGQYMU-LBPRGKRZSA-N 1 0 418.906 4.193 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541702953 939609236 /nfs/dbraw/zinc/60/92/36/939609236.db2.gz AVFHHORHIWQVCF-GHTZIAJQSA-N 1 0 415.465 4.223 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000541786335 939630047 /nfs/dbraw/zinc/63/00/47/939630047.db2.gz LWCSOPCJPHHUGO-DOTOQJQBSA-N 1 0 400.454 4.251 20 5 HIBDRO COc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000542037109 939694810 /nfs/dbraw/zinc/69/48/10/939694810.db2.gz WDUDFOWRWNBMAU-QHCPKHFHSA-N 1 0 424.501 4.123 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000542253190 939773676 /nfs/dbraw/zinc/77/36/76/939773676.db2.gz IPQBELGUNNGYPD-RXVVDRJESA-N 1 0 410.445 4.047 20 5 HIBDRO CCc1ccc([C@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542472645 939828709 /nfs/dbraw/zinc/82/87/09/939828709.db2.gz MTDDLZIMOUNYGQ-HSZRJFAPSA-N 1 0 421.497 4.374 20 5 HIBDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000542570520 939845040 /nfs/dbraw/zinc/84/50/40/939845040.db2.gz ZNVRBCRPPQAOLT-CQSZACIVSA-N 1 0 419.884 4.272 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000543063609 939917657 /nfs/dbraw/zinc/91/76/57/939917657.db2.gz PQCJFLKCNDJUGP-IBGZPJMESA-N 1 0 401.850 4.287 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOCC4(CCOCC4)C3)o2)c(Cl)c1 ZINC000543392904 940049688 /nfs/dbraw/zinc/04/96/88/940049688.db2.gz HZCZKGQBNLPGDE-UHFFFAOYSA-N 1 0 406.866 4.137 20 5 HIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422429 940060292 /nfs/dbraw/zinc/06/02/92/940060292.db2.gz GKFPZAXLBWDYOG-DQLDELGASA-N 1 0 402.516 4.484 20 5 HIBDRO O=C(C[NH2+][C@H](c1cccs1)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000543439239 940064199 /nfs/dbraw/zinc/06/41/99/940064199.db2.gz ZAXSJFFZJNABCD-SFHVURJKSA-N 1 0 414.512 4.459 20 5 HIBDRO O=C(C[NH2+][C@@H](c1cccs1)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000543439238 940064383 /nfs/dbraw/zinc/06/43/83/940064383.db2.gz ZAXSJFFZJNABCD-GOSISDBHSA-N 1 0 414.512 4.459 20 5 HIBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543558710 940108875 /nfs/dbraw/zinc/10/88/75/940108875.db2.gz HWZFCOLGJFNNAD-MOPGFXCFSA-N 1 0 412.421 4.136 20 5 HIBDRO C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000543561516 940109303 /nfs/dbraw/zinc/10/93/03/940109303.db2.gz RCCPSIHTHKFTSL-VBKZILBWSA-N 1 0 419.884 4.444 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000543590687 940122826 /nfs/dbraw/zinc/12/28/26/940122826.db2.gz PFVLEVAGEULFOD-SFHVURJKSA-N 1 0 417.575 4.435 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000563853596 945315154 /nfs/dbraw/zinc/31/51/54/945315154.db2.gz BBAGJJAGJYUISO-HOCLYGCPSA-N 1 0 407.308 4.168 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000544384127 940407641 /nfs/dbraw/zinc/40/76/41/940407641.db2.gz CUDFAKXRTMSIBD-LBPRGKRZSA-N 1 0 411.380 4.129 20 5 HIBDRO CC[C@@H](c1ccc(F)cc1F)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544395383 940410917 /nfs/dbraw/zinc/41/09/17/940410917.db2.gz XBGNOMRGQMNJSP-SFHVURJKSA-N 1 0 413.428 4.090 20 5 HIBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)c21 ZINC000544394698 940410975 /nfs/dbraw/zinc/41/09/75/940410975.db2.gz QJENPHSUUDPXLQ-HSZRJFAPSA-N 1 0 403.486 4.031 20 5 HIBDRO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544491551 940455615 /nfs/dbraw/zinc/45/56/15/940455615.db2.gz MOJLBHCZDVWBGB-QGZVFWFLSA-N 1 0 413.493 4.386 20 5 HIBDRO C[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544557949 940478183 /nfs/dbraw/zinc/47/81/83/940478183.db2.gz KOCGBHLADBPDHA-IRXDYDNUSA-N 1 0 405.514 4.341 20 5 HIBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccs2)cc1 ZINC000544571856 940482213 /nfs/dbraw/zinc/48/22/13/940482213.db2.gz BVJVAJFCBDRYMC-HNNXBMFYSA-N 1 0 416.524 4.448 20 5 HIBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000544621766 940492452 /nfs/dbraw/zinc/49/24/52/940492452.db2.gz KCHITRZOPUIORJ-QAPCUYQASA-N 1 0 400.454 4.423 20 5 HIBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000544621767 940492602 /nfs/dbraw/zinc/49/26/02/940492602.db2.gz KCHITRZOPUIORJ-YJBOKZPZSA-N 1 0 400.454 4.423 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000544655953 940499029 /nfs/dbraw/zinc/49/90/29/940499029.db2.gz GFVKKEKHORKXMH-UHFFFAOYSA-N 1 0 405.495 4.226 20 5 HIBDRO CC[C@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000544760545 940511556 /nfs/dbraw/zinc/51/15/56/940511556.db2.gz AHGXZAVHFDYQHC-XLIONFOSSA-N 1 0 421.501 4.302 20 5 HIBDRO CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544848567 940518889 /nfs/dbraw/zinc/51/88/89/940518889.db2.gz DCNHGHZSOUMMRY-SFHVURJKSA-N 1 0 421.419 4.350 20 5 HIBDRO CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545518740 940572879 /nfs/dbraw/zinc/57/28/79/940572879.db2.gz UUHIYDUJGZWHGQ-JOCHJYFZSA-N 1 0 406.486 4.346 20 5 HIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@]12CCCO2 ZINC000545548599 940574284 /nfs/dbraw/zinc/57/42/84/940574284.db2.gz UZSWFYSFFJIJFN-VAMGGRTRSA-N 1 0 406.866 4.324 20 5 HIBDRO O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3ccccc3C[NH+]3CCCC3)no2)cc1 ZINC000546235364 940739082 /nfs/dbraw/zinc/73/90/82/940739082.db2.gz IKYACTGVMFLNSU-UHFFFAOYSA-N 1 0 400.385 4.381 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000546277294 940758840 /nfs/dbraw/zinc/75/88/40/940758840.db2.gz XNITZQDZSDSBEC-UHFFFAOYSA-N 1 0 412.446 4.041 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000547088998 940990956 /nfs/dbraw/zinc/99/09/56/940990956.db2.gz GBISKEQZAFPSDC-CQSZACIVSA-N 1 0 414.487 4.439 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000548931856 941130192 /nfs/dbraw/zinc/13/01/92/941130192.db2.gz FCSDQSBKGMEJOU-QFIPXVFZSA-N 1 0 424.545 4.122 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccsc1 ZINC000549339442 941181122 /nfs/dbraw/zinc/18/11/22/941181122.db2.gz HNSGZCREJZIRQZ-MRXNPFEDSA-N 1 0 415.437 4.488 20 5 HIBDRO CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000549868215 941221261 /nfs/dbraw/zinc/22/12/61/941221261.db2.gz DXUPNWRVMKVYTM-UHFFFAOYSA-N 1 0 422.451 4.148 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549942194 941243727 /nfs/dbraw/zinc/24/37/27/941243727.db2.gz RAWVJFVSSBICFB-DZGCQCFKSA-N 1 0 407.392 4.179 20 5 HIBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000551039946 941399463 /nfs/dbraw/zinc/39/94/63/941399463.db2.gz QIRVPZYWGODMCQ-ZMSDIMECSA-N 1 0 414.449 4.110 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)n1 ZINC000551583529 941506889 /nfs/dbraw/zinc/50/68/89/941506889.db2.gz RIUKZQXXJGNNNY-UHFFFAOYSA-N 1 0 403.895 4.405 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1[N+](=O)[O-] ZINC000551812785 941550418 /nfs/dbraw/zinc/55/04/18/941550418.db2.gz XUFBYBGIJGHELU-GJZGRUSLSA-N 1 0 406.504 4.199 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000551822265 941553533 /nfs/dbraw/zinc/55/35/33/941553533.db2.gz BBJPDPCRBWKZJM-NLMIPJBGSA-N 1 0 422.529 4.276 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)s1 ZINC000552002948 941565873 /nfs/dbraw/zinc/56/58/73/941565873.db2.gz HWMLIQSOAVCPNB-HNNXBMFYSA-N 1 0 412.515 4.040 20 5 HIBDRO Cn1ccnc1[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068044 941578623 /nfs/dbraw/zinc/57/86/23/941578623.db2.gz GLHCUOGRIVDVRT-UPVQGACJSA-N 1 0 419.529 4.062 20 5 HIBDRO CC1CC[NH+](C2CCC(N[C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000552274849 941620310 /nfs/dbraw/zinc/62/03/10/941620310.db2.gz DIEBCWVBOHRWOD-AOMIVXANSA-N 1 0 411.550 4.050 20 5 HIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC3 ZINC000552281948 941621458 /nfs/dbraw/zinc/62/14/58/941621458.db2.gz PSTXASNVBSCSSO-HXOBKFHXSA-N 1 0 415.497 4.355 20 5 HIBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000554070267 942029036 /nfs/dbraw/zinc/02/90/36/942029036.db2.gz ODPVXLNLUJEVFO-ZWKOTPCHSA-N 1 0 409.408 4.043 20 5 HIBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000554079473 942031590 /nfs/dbraw/zinc/03/15/90/942031590.db2.gz YTGKTWDIYYAGNS-UHFFFAOYSA-N 1 0 418.357 4.145 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)n1 ZINC000554374632 942117764 /nfs/dbraw/zinc/11/77/64/942117764.db2.gz VPTSQTIGGZEKIG-CABCVRRESA-N 1 0 404.339 4.362 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000554836974 942275138 /nfs/dbraw/zinc/27/51/38/942275138.db2.gz DWLWNCAXZADKII-REPLKXPHSA-N 1 0 409.486 4.343 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)c1 ZINC000555010516 942355432 /nfs/dbraw/zinc/35/54/32/942355432.db2.gz GWAICVQRTNNFGL-UHFFFAOYSA-N 1 0 405.539 4.214 20 5 HIBDRO CC(C)N1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000555128791 942395111 /nfs/dbraw/zinc/39/51/11/942395111.db2.gz JDAFPQNZNZLLFN-GHTZIAJQSA-N 1 0 405.445 4.065 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccncc2OCc2ccccc2)n1 ZINC000556912361 942962995 /nfs/dbraw/zinc/96/29/95/942962995.db2.gz RHPLADUMQUGOIA-VQTJNVASSA-N 1 0 407.474 4.039 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc(-c3nc(CC)no3)cc2)cc1[N+](=O)[O-] ZINC000557263703 943063147 /nfs/dbraw/zinc/06/31/47/943063147.db2.gz AGSLIKAENZJWEG-OAHLLOKOSA-N 1 0 410.474 4.499 20 5 HIBDRO COc1ccc([C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000557627359 943238086 /nfs/dbraw/zinc/23/80/86/943238086.db2.gz XENBCFANRXPUMG-VGSWGCGISA-N 1 0 411.502 4.050 20 5 HIBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000557687515 943259532 /nfs/dbraw/zinc/25/95/32/943259532.db2.gz WNRZFVXBSKMIAR-CYBMUJFWSA-N 1 0 405.808 4.019 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000558417910 943554784 /nfs/dbraw/zinc/55/47/84/943554784.db2.gz KQGDXVDHDNPMCJ-QHCPKHFHSA-N 1 0 414.502 4.309 20 5 HIBDRO COc1ccc(OCC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000558466728 943567599 /nfs/dbraw/zinc/56/75/99/943567599.db2.gz QLCFPWWVVBOQPP-UHFFFAOYSA-N 1 0 415.421 4.142 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000558497553 943576391 /nfs/dbraw/zinc/57/63/91/943576391.db2.gz OVMVGDMANWXEDU-VQTJNVASSA-N 1 0 408.502 4.197 20 5 HIBDRO COc1cc(C[NH2+]CC(C)(C)C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000558680584 943627878 /nfs/dbraw/zinc/62/78/78/943627878.db2.gz NDTCYYIQPFXBRW-UHFFFAOYSA-N 1 0 404.307 4.223 20 5 HIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000559094004 943835780 /nfs/dbraw/zinc/83/57/80/943835780.db2.gz AORHMKCESKJLBF-ZDUSSCGKSA-N 1 0 405.380 4.036 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000559552705 944003300 /nfs/dbraw/zinc/00/33/00/944003300.db2.gz YDLMFWMEUJXFRX-YDHLFZDLSA-N 1 0 424.339 4.143 20 5 HIBDRO COc1ccc(Oc2cc(C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)ccn2)cc1 ZINC000559985170 944111220 /nfs/dbraw/zinc/11/12/20/944111220.db2.gz UAEVHYWBTVZYNZ-PMACEKPBSA-N 1 0 423.473 4.261 20 5 HIBDRO 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 944252122 /nfs/dbraw/zinc/25/21/22/944252122.db2.gz NQBLRODCKCWFTN-FSPWUOQZSA-N 1 0 414.449 4.230 20 5 HIBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000560801769 944336305 /nfs/dbraw/zinc/33/63/05/944336305.db2.gz SOZFSBHGSBDFKA-UHFFFAOYSA-N 1 0 404.264 4.205 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000561401822 944581933 /nfs/dbraw/zinc/58/19/33/944581933.db2.gz LGYBJTWNSDYSEF-HXUWFJFHSA-N 1 0 403.866 4.326 20 5 HIBDRO Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000561828375 944814487 /nfs/dbraw/zinc/81/44/87/944814487.db2.gz RHSSTCCZKDUQSH-UHFFFAOYSA-N 1 0 411.380 4.158 20 5 HIBDRO CCOc1cc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000562337756 945062333 /nfs/dbraw/zinc/06/23/33/945062333.db2.gz IAWUONGPYQYAII-UHFFFAOYSA-N 1 0 409.486 4.050 20 5 HIBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000567379730 946319908 /nfs/dbraw/zinc/31/99/08/946319908.db2.gz FIWJZYKCVNCYSZ-UHFFFAOYSA-N 1 0 418.497 4.204 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)co2)cc1 ZINC000568143205 946480479 /nfs/dbraw/zinc/48/04/79/946480479.db2.gz HIIYDZVERVTGGK-SFTDATJTSA-N 1 0 418.497 4.204 20 5 HIBDRO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000568684025 946654523 /nfs/dbraw/zinc/65/45/23/946654523.db2.gz GWQIOUJVDDDVNB-LJQANCHMSA-N 1 0 410.518 4.101 20 5 HIBDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569412064 946870951 /nfs/dbraw/zinc/87/09/51/946870951.db2.gz IRTWIMAVHLNNEE-INIZCTEOSA-N 1 0 411.243 4.178 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)nnn1-c1ccc(C)cc1 ZINC000570241183 947162538 /nfs/dbraw/zinc/16/25/38/947162538.db2.gz CMVWWNJIXVJZEB-OAHLLOKOSA-N 1 0 404.474 4.167 20 5 HIBDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000570369305 947223768 /nfs/dbraw/zinc/22/37/68/947223768.db2.gz NKJZWFRFNJCVHO-OAQYLSRUSA-N 1 0 419.481 4.424 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000570977918 947408806 /nfs/dbraw/zinc/40/88/06/947408806.db2.gz HMJJLBDLQHNCHK-OAQYLSRUSA-N 1 0 412.490 4.124 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000571543628 947695175 /nfs/dbraw/zinc/69/51/75/947695175.db2.gz QSMAUZFKNJXPAY-INIZCTEOSA-N 1 0 407.392 4.008 20 5 HIBDRO CSc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000572074332 947839664 /nfs/dbraw/zinc/83/96/64/947839664.db2.gz RFENDUFSODMJIP-KUHUBIRLSA-N 1 0 419.572 4.216 20 5 HIBDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000572146270 947850141 /nfs/dbraw/zinc/85/01/41/947850141.db2.gz KAYCKDAANWKTGF-YVEFUNNKSA-N 1 0 412.321 4.154 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000572802294 948014885 /nfs/dbraw/zinc/01/48/85/948014885.db2.gz ZFVBMKMDOCDTNY-QHCPKHFHSA-N 1 0 414.502 4.309 20 5 HIBDRO CC(C)c1ccc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574046478 948353618 /nfs/dbraw/zinc/35/36/18/948353618.db2.gz KUPRIEBQFJIOCE-XMMPIXPASA-N 1 0 407.514 4.456 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000574049417 948353670 /nfs/dbraw/zinc/35/36/70/948353670.db2.gz JLZSHEUZRLJRSA-UHFFFAOYSA-N 1 0 413.543 4.235 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574108773 948365812 /nfs/dbraw/zinc/36/58/12/948365812.db2.gz VVZBPMZWZILHEC-YADARESESA-N 1 0 422.529 4.272 20 5 HIBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164619775 719068989 /nfs/dbraw/zinc/06/89/89/719068989.db2.gz COPRVYAQLBJOTO-JXFKEZNVSA-N 1 0 423.904 4.292 20 5 HIBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722514 720372181 /nfs/dbraw/zinc/37/21/81/720372181.db2.gz DBPXKONELMSZKZ-QZTJIDSGSA-N 1 0 409.877 4.045 20 5 HIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164791570 721493470 /nfs/dbraw/zinc/49/34/70/721493470.db2.gz DPSSPLAPHXUCOJ-UHFFFAOYSA-N 1 0 417.513 4.419 20 5 HIBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164955682 722021157 /nfs/dbraw/zinc/02/11/57/722021157.db2.gz MXBJWIPLDXPBMI-UHFFFAOYSA-N 1 0 403.486 4.031 20 5 HIBDRO CCOC(C)(C)C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000436005972 861293626 /nfs/dbraw/zinc/29/36/26/861293626.db2.gz MLOPLASNIJWOOV-GOSISDBHSA-N 1 0 405.882 4.333 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436010241 861300952 /nfs/dbraw/zinc/30/09/52/861300952.db2.gz ZHJLFHKVOPVDPV-IRXDYDNUSA-N 1 0 423.532 4.308 20 5 HIBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000436090970 861371474 /nfs/dbraw/zinc/37/14/74/861371474.db2.gz NOSAEWOYHSYNHA-UHFFFAOYSA-N 1 0 407.420 4.273 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436124872 861409992 /nfs/dbraw/zinc/40/99/92/861409992.db2.gz AUDBGJZZLBDRSS-XLIONFOSSA-N 1 0 411.505 4.247 20 5 HIBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000436142509 861439282 /nfs/dbraw/zinc/43/92/82/861439282.db2.gz FFEHGRRXYLCTRY-UHFFFAOYSA-N 1 0 417.553 4.410 20 5 HIBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000007402979 845322119 /nfs/dbraw/zinc/32/21/19/845322119.db2.gz AKVDDEYXEYOKKV-UHFFFAOYSA-N 1 0 404.923 4.199 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436246832 861555322 /nfs/dbraw/zinc/55/53/22/861555322.db2.gz QXYIDZRIUMERJJ-IXDOHACOSA-N 1 0 421.516 4.298 20 5 HIBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000008184215 845488236 /nfs/dbraw/zinc/48/82/36/845488236.db2.gz MFQCNTYIXYYFEW-UHFFFAOYSA-N 1 0 418.497 4.199 20 5 HIBDRO CC(C)(C)Oc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000436320227 861624231 /nfs/dbraw/zinc/62/42/31/861624231.db2.gz HCYYUGFPGRSZOG-HXUWFJFHSA-N 1 0 413.518 4.341 20 5 HIBDRO CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000014524014 845955807 /nfs/dbraw/zinc/95/58/07/845955807.db2.gz GJKWGPHRUJDWIT-UHFFFAOYSA-N 1 0 403.866 4.255 20 5 HIBDRO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015505611 846056261 /nfs/dbraw/zinc/05/62/61/846056261.db2.gz IRVWYNSHHJHYIF-NRFANRHFSA-N 1 0 408.433 4.115 20 5 HIBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000015550331 846062159 /nfs/dbraw/zinc/06/21/59/846062159.db2.gz TTZVBEILCZDBML-SFHVURJKSA-N 1 0 424.270 4.422 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000025330691 846961408 /nfs/dbraw/zinc/96/14/08/846961408.db2.gz VMUSYORVWSZRQT-HXUWFJFHSA-N 1 0 410.499 4.433 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000026342565 847127691 /nfs/dbraw/zinc/12/76/91/847127691.db2.gz AWXIOOURMGHPLV-UHFFFAOYSA-N 1 0 411.502 4.277 20 5 HIBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436417834 861772094 /nfs/dbraw/zinc/77/20/94/861772094.db2.gz FVSGTOPKUPHLSE-UHFFFAOYSA-N 1 0 409.412 4.147 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)C[NH+]3CCCCC3)cc2[N+](=O)[O-])n1 ZINC000027743032 847345374 /nfs/dbraw/zinc/34/53/74/847345374.db2.gz JCUDTEHCIQJNDF-CYBMUJFWSA-N 1 0 420.560 4.115 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)C[C@H](C)O1 ZINC000030001638 847667828 /nfs/dbraw/zinc/66/78/28/847667828.db2.gz TYMSWFMKPXQSIV-CALCHBBNSA-N 1 0 406.486 4.364 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000030449843 847717273 /nfs/dbraw/zinc/71/72/73/847717273.db2.gz GLSNWYHCHOLGDT-GOSISDBHSA-N 1 0 418.291 4.427 20 5 HIBDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000030492781 847721401 /nfs/dbraw/zinc/72/14/01/847721401.db2.gz FTBIHGJXVFNAJD-JKSUJKDBSA-N 1 0 415.490 4.377 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000031201710 847841733 /nfs/dbraw/zinc/84/17/33/847841733.db2.gz YQCIDGDEPGHIOP-UHFFFAOYSA-N 1 0 413.543 4.479 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000031941071 847967659 /nfs/dbraw/zinc/96/76/59/847967659.db2.gz SCHGHKTYLABJHH-UHFFFAOYSA-N 1 0 403.504 4.290 20 5 HIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032245142 847994443 /nfs/dbraw/zinc/99/44/43/847994443.db2.gz DRJXYBUQARUSAX-UHFFFAOYSA-N 1 0 405.458 4.019 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000042127530 848289931 /nfs/dbraw/zinc/28/99/31/848289931.db2.gz YTTRARNLGJDKER-QGZVFWFLSA-N 1 0 413.543 4.165 20 5 HIBDRO COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)cc1 ZINC000043343144 848412350 /nfs/dbraw/zinc/41/23/50/848412350.db2.gz RARIMIKDTCFZAA-IBGZPJMESA-N 1 0 418.881 4.215 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644348 848445571 /nfs/dbraw/zinc/44/55/71/848445571.db2.gz FCMUQCMAMCFUOH-UHFFFAOYSA-N 1 0 411.380 4.083 20 5 HIBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050628756 849399942 /nfs/dbraw/zinc/39/99/42/849399942.db2.gz AHAKROBRYBJMFV-UHFFFAOYSA-N 1 0 414.531 4.103 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCc1nccs1)c1ccccc1 ZINC000051164928 849438951 /nfs/dbraw/zinc/43/89/51/849438951.db2.gz UYLNJKCFPODALQ-GOSISDBHSA-N 1 0 416.890 4.217 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000051469294 849473025 /nfs/dbraw/zinc/47/30/25/849473025.db2.gz AIYNACMRHIWCEK-UHFFFAOYSA-N 1 0 416.547 4.302 20 5 HIBDRO Cc1c(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)cccc1[N+](=O)[O-] ZINC000055055657 849965230 /nfs/dbraw/zinc/96/52/30/849965230.db2.gz MPDKIACJWMJWME-UHFFFAOYSA-N 1 0 405.292 4.461 20 5 HIBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000057255003 850590604 /nfs/dbraw/zinc/59/06/04/850590604.db2.gz LZLZENACHMBWKI-QZTJIDSGSA-N 1 0 416.566 4.024 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060441108 851100195 /nfs/dbraw/zinc/10/01/95/851100195.db2.gz IIVGKWWCTLMCSU-UHFFFAOYSA-N 1 0 413.543 4.235 20 5 HIBDRO CC(C)NC(=O)c1ccc(NCC2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000060864872 851234771 /nfs/dbraw/zinc/23/47/71/851234771.db2.gz GRAIDEMGVUEHSE-UHFFFAOYSA-N 1 0 416.547 4.119 20 5 HIBDRO CNC(=O)c1ccc(NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000064914435 852019763 /nfs/dbraw/zinc/01/97/63/852019763.db2.gz WTTGWRJEPFPIQY-IRXDYDNUSA-N 1 0 410.518 4.044 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000065261279 852094150 /nfs/dbraw/zinc/09/41/50/852094150.db2.gz BABYLIGUBPPRKM-IBGZPJMESA-N 1 0 411.502 4.195 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000065450262 852138507 /nfs/dbraw/zinc/13/85/07/852138507.db2.gz LHRWXYSQLIRCEY-ZFWWWQNUSA-N 1 0 420.416 4.153 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000071954866 852444776 /nfs/dbraw/zinc/44/47/76/852444776.db2.gz KULGFWJNAXHWHI-KRWDZBQOSA-N 1 0 422.529 4.331 20 5 HIBDRO COc1ccc(CCC2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000105591697 852716125 /nfs/dbraw/zinc/71/61/25/852716125.db2.gz RADXBWKOONTTRI-UHFFFAOYSA-N 1 0 411.502 4.277 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2[N+](=O)[O-])n1 ZINC000106006710 852746155 /nfs/dbraw/zinc/74/61/55/852746155.db2.gz DSGKSAHZGIGXTJ-UHFFFAOYSA-N 1 0 420.560 4.117 20 5 HIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000106276031 852766939 /nfs/dbraw/zinc/76/69/39/852766939.db2.gz KXPCOAFGIRWYDN-CABCVRRESA-N 1 0 401.463 4.068 20 5 HIBDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000108971624 852902003 /nfs/dbraw/zinc/90/20/03/852902003.db2.gz TYMUUGWOHNNXGZ-HNNXBMFYSA-N 1 0 422.485 4.291 20 5 HIBDRO Cc1c(NC(=O)CC[N@H+](C)CCCc2cc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000110306844 853085613 /nfs/dbraw/zinc/08/56/13/853085613.db2.gz DULOINBYLBQWMQ-UHFFFAOYSA-N 1 0 422.485 4.451 20 5 HIBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000116064583 853281475 /nfs/dbraw/zinc/28/14/75/853281475.db2.gz OUDAYZWIIXIEPL-UHFFFAOYSA-N 1 0 401.463 4.153 20 5 HIBDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000117271254 853350164 /nfs/dbraw/zinc/35/01/64/853350164.db2.gz DUCJKHSFUBXXQK-HXUWFJFHSA-N 1 0 415.921 4.451 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437243157 862457805 /nfs/dbraw/zinc/45/78/05/862457805.db2.gz ACIJLUZYRLSUEL-OAHLLOKOSA-N 1 0 421.419 4.350 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139818413 853422722 /nfs/dbraw/zinc/42/27/22/853422722.db2.gz HILPBXGCYLZCCE-QGZVFWFLSA-N 1 0 417.897 4.162 20 5 HIBDRO COc1cccc(NC(=O)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000140105404 853434523 /nfs/dbraw/zinc/43/45/23/853434523.db2.gz MJHGTJRSGXVLML-JOCHJYFZSA-N 1 0 405.454 4.116 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000141352830 853469123 /nfs/dbraw/zinc/46/91/23/853469123.db2.gz LQWYNULSFFNNOL-QFBILLFUSA-N 1 0 403.866 4.087 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000143546424 853517922 /nfs/dbraw/zinc/51/79/22/853517922.db2.gz IKKJVJHVBWPZNW-UHFFFAOYSA-N 1 0 408.911 4.343 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000145764093 853557047 /nfs/dbraw/zinc/55/70/47/853557047.db2.gz SEBSHPJYPIQAHL-UHFFFAOYSA-N 1 0 405.545 4.020 20 5 HIBDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000150213935 853640673 /nfs/dbraw/zinc/64/06/73/853640673.db2.gz DBSJJZGHAPAKNH-HXUWFJFHSA-N 1 0 413.474 4.086 20 5 HIBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)oc21 ZINC000216756681 853858606 /nfs/dbraw/zinc/85/86/06/853858606.db2.gz RVSSHEMQDQFMNG-CYBMUJFWSA-N 1 0 413.430 4.038 20 5 HIBDRO COc1ccc([C@@H]([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000217114141 853860335 /nfs/dbraw/zinc/86/03/35/853860335.db2.gz KNGXXZMTLPAVGY-IBGZPJMESA-N 1 0 408.401 4.454 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000236571898 853899801 /nfs/dbraw/zinc/89/98/01/853899801.db2.gz YJIHOZUOOSOAPT-MQDFFIGUSA-N 1 0 416.319 4.487 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CC3(O)CCOCC3)cc2[N+](=O)[O-])c1 ZINC000236741357 853918441 /nfs/dbraw/zinc/91/84/41/853918441.db2.gz AAGBCBMZVHJPPM-UHFFFAOYSA-N 1 0 414.502 4.450 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CCCS(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000236740714 853918481 /nfs/dbraw/zinc/91/84/81/853918481.db2.gz VPKWWPZFAQRSSO-UHFFFAOYSA-N 1 0 420.531 4.343 20 5 HIBDRO CC[N@@H+]1CC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236826585 853926569 /nfs/dbraw/zinc/92/65/69/853926569.db2.gz PBHJAUBUSAKARG-CYBMUJFWSA-N 1 0 408.296 4.049 20 5 HIBDRO CCN(CC)[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000236858615 853930044 /nfs/dbraw/zinc/93/00/44/853930044.db2.gz IEGGKILYQGTXGH-SFHVURJKSA-N 1 0 400.504 4.484 20 5 HIBDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cn1 ZINC000236967280 853944351 /nfs/dbraw/zinc/94/43/51/853944351.db2.gz INIJIAROPGFGQY-UHFFFAOYSA-N 1 0 410.474 4.394 20 5 HIBDRO COc1ccc(C[NH2+]CCc2c(C)noc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237154936 853973422 /nfs/dbraw/zinc/97/34/22/853973422.db2.gz UOMDFIJADLXHMH-UHFFFAOYSA-N 1 0 411.458 4.120 20 5 HIBDRO COc1ccc(C[NH2+]CCc2csc(C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237163628 853974537 /nfs/dbraw/zinc/97/45/37/853974537.db2.gz HBUOLGMHDBUUSE-UHFFFAOYSA-N 1 0 413.499 4.280 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccccc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237202188 853981314 /nfs/dbraw/zinc/98/13/14/853981314.db2.gz DNSFURYJIPRLRE-UHFFFAOYSA-N 1 0 402.344 4.016 20 5 HIBDRO COc1cc(C[NH2+]Cc2cccc3cccnc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237209002 853981787 /nfs/dbraw/zinc/98/17/87/853981787.db2.gz JZBDXUNNRFFMCJ-UHFFFAOYSA-N 1 0 421.375 4.383 20 5 HIBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237397798 854022265 /nfs/dbraw/zinc/02/22/65/854022265.db2.gz YAJJTKHDHSOIMM-GDBMZVCRSA-N 1 0 406.866 4.324 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000237407004 854025751 /nfs/dbraw/zinc/02/57/51/854025751.db2.gz LKDQKCHWQXGWAM-CYBMUJFWSA-N 1 0 405.882 4.433 20 5 HIBDRO COc1cc(C[NH2+]Cc2c3ccccc3cc3ccccc32)ccc1OCC(N)=O ZINC000237407032 854026019 /nfs/dbraw/zinc/02/60/19/854026019.db2.gz SYGIJFXIMQVPNK-UHFFFAOYSA-N 1 0 400.478 4.156 20 5 HIBDRO COc1cccc(N2CC[C@H](C[NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000237520803 854049167 /nfs/dbraw/zinc/04/91/67/854049167.db2.gz XPKPHPNJSGXXHG-MRXNPFEDSA-N 1 0 424.526 4.343 20 5 HIBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237742657 854087489 /nfs/dbraw/zinc/08/74/89/854087489.db2.gz GEBUQGGHMRGHAH-ZWKOTPCHSA-N 1 0 409.280 4.258 20 5 HIBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1c(F)cccc1F ZINC000237765552 854091961 /nfs/dbraw/zinc/09/19/61/854091961.db2.gz NUEUQMDTWDEQSP-UHFFFAOYSA-N 1 0 417.437 4.121 20 5 HIBDRO Cc1ccc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000237774664 854094899 /nfs/dbraw/zinc/09/48/99/854094899.db2.gz ALNXCOUGARSBHG-INIZCTEOSA-N 1 0 404.308 4.282 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237781964 854095688 /nfs/dbraw/zinc/09/56/88/854095688.db2.gz YWBYRDOKOONEIV-UHFFFAOYSA-N 1 0 420.517 4.061 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237782044 854096290 /nfs/dbraw/zinc/09/62/90/854096290.db2.gz WSAJOYFUBNGKNQ-UHFFFAOYSA-N 1 0 407.474 4.002 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000237821453 854104188 /nfs/dbraw/zinc/10/41/88/854104188.db2.gz LVZCIJSDQQKJGN-UHFFFAOYSA-N 1 0 406.414 4.047 20 5 HIBDRO O=C(CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000237879979 854113894 /nfs/dbraw/zinc/11/38/94/854113894.db2.gz PHZGBRSHXMDHPK-UHFFFAOYSA-N 1 0 415.465 4.409 20 5 HIBDRO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237913455 854118007 /nfs/dbraw/zinc/11/80/07/854118007.db2.gz UAPWOXCCQXTEEI-SNMYMPMCSA-N 1 0 401.466 4.448 20 5 HIBDRO Cn1cc(C[NH2+]CCCSc2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237914394 854119189 /nfs/dbraw/zinc/11/91/89/854119189.db2.gz GEGWPJHBOXPSKK-UHFFFAOYSA-N 1 0 400.479 4.406 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)s1 ZINC000237965015 854126882 /nfs/dbraw/zinc/12/68/82/854126882.db2.gz OTMLHBCDJIUGBP-OAQYLSRUSA-N 1 0 423.538 4.486 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000238011004 854133646 /nfs/dbraw/zinc/13/36/46/854133646.db2.gz LWLUTIAXIXMZSB-UHFFFAOYSA-N 1 0 417.513 4.164 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[C@@H](O)C3)o2)c(Br)c1 ZINC000238095086 854142776 /nfs/dbraw/zinc/14/27/76/854142776.db2.gz ORQXRHGGOQPQGU-GXTWGEPZSA-N 1 0 409.280 4.258 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)C1 ZINC000301113009 854300019 /nfs/dbraw/zinc/30/00/19/854300019.db2.gz SRFGHCISXZQYCK-HOTGVXAUSA-N 1 0 421.501 4.334 20 5 HIBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000301373827 854374399 /nfs/dbraw/zinc/37/43/99/854374399.db2.gz UUCZQLOHJIBTTP-UHFFFAOYSA-N 1 0 410.474 4.149 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301412954 854387537 /nfs/dbraw/zinc/38/75/37/854387537.db2.gz KWJNDHWBEVIMFB-QRWLVFNGSA-N 1 0 414.531 4.044 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301567334 854421935 /nfs/dbraw/zinc/42/19/35/854421935.db2.gz JZTDVNDYESPUEF-FXAWDEMLSA-N 1 0 410.518 4.056 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000301747526 854458101 /nfs/dbraw/zinc/45/81/01/854458101.db2.gz RBMXKUJZYNUNJU-UHFFFAOYSA-N 1 0 414.815 4.374 20 5 HIBDRO C[NH+]1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000301813028 854469338 /nfs/dbraw/zinc/46/93/38/854469338.db2.gz FMGGQFHYUAZSNQ-GOSISDBHSA-N 1 0 408.424 4.014 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301851392 854476662 /nfs/dbraw/zinc/47/66/62/854476662.db2.gz ANQSUTOPNPZIKK-BZNIZROVSA-N 1 0 411.325 4.309 20 5 HIBDRO CC(=O)c1ccc(N2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)c(F)c1 ZINC000302177128 854543650 /nfs/dbraw/zinc/54/36/50/854543650.db2.gz NDHURMDNGAHSNK-UHFFFAOYSA-N 1 0 408.433 4.120 20 5 HIBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c2ccncc21 ZINC000302932771 854684752 /nfs/dbraw/zinc/68/47/52/854684752.db2.gz DSQUYHDKRNRLMG-UHFFFAOYSA-N 1 0 405.502 4.157 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000303253720 854837221 /nfs/dbraw/zinc/83/72/21/854837221.db2.gz BKQCWHMFXWIPEE-UHFFFAOYSA-N 1 0 405.857 4.029 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000303447414 854946527 /nfs/dbraw/zinc/94/65/27/854946527.db2.gz BWPYBCPEQGJTLM-UHFFFAOYSA-N 1 0 411.502 4.300 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303737918 855162918 /nfs/dbraw/zinc/16/29/18/855162918.db2.gz HILGPDNOZIEOMK-CRAIPNDOSA-N 1 0 401.894 4.373 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000303745831 855168242 /nfs/dbraw/zinc/16/82/42/855168242.db2.gz JWMZBERHVRXDDS-LAUBAEHRSA-N 1 0 422.529 4.294 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000303754850 855175564 /nfs/dbraw/zinc/17/55/64/855175564.db2.gz MUBXLQSGHMTQAL-WBVHZDCISA-N 1 0 401.894 4.373 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410312156 855921493 /nfs/dbraw/zinc/92/14/93/855921493.db2.gz OFQLRZDRPDNIKD-UHFFFAOYSA-N 1 0 402.882 4.077 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000410348821 855942783 /nfs/dbraw/zinc/94/27/83/855942783.db2.gz BHVUKMKKLVSUPY-INIZCTEOSA-N 1 0 412.490 4.300 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(OCc4ccccc4F)c3)CC2)n1 ZINC000425969953 856023182 /nfs/dbraw/zinc/02/31/82/856023182.db2.gz YEMJIDXLGXIBLX-UHFFFAOYSA-N 1 0 410.449 4.347 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426153611 856142291 /nfs/dbraw/zinc/14/22/91/856142291.db2.gz NWVUQCPHPMNQEA-UHFFFAOYSA-N 1 0 412.490 4.123 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[NH+]2CCCC2)o1 ZINC000426295567 856227378 /nfs/dbraw/zinc/22/73/78/856227378.db2.gz NVYYLRVGDGTTBI-FQEVSTJZSA-N 1 0 412.490 4.007 20 5 HIBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000426385804 856269572 /nfs/dbraw/zinc/26/95/72/856269572.db2.gz RKDUXIJIRNYTPJ-HXUWFJFHSA-N 1 0 423.513 4.264 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000437465977 862827944 /nfs/dbraw/zinc/82/79/44/862827944.db2.gz HRNURRAGCWIWSL-MSOLQXFVSA-N 1 0 413.543 4.198 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000427521026 856847407 /nfs/dbraw/zinc/84/74/07/856847407.db2.gz GGAUBPARNYDGND-UHFFFAOYSA-N 1 0 419.481 4.262 20 5 HIBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000428074784 857063792 /nfs/dbraw/zinc/06/37/92/857063792.db2.gz IOJKUBMUELKEGY-QGZVFWFLSA-N 1 0 409.280 4.353 20 5 HIBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000428716246 857307963 /nfs/dbraw/zinc/30/79/63/857307963.db2.gz IIHKGNLEFPOSAF-LAUBAEHRSA-N 1 0 411.527 4.302 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000428730949 857312769 /nfs/dbraw/zinc/31/27/69/857312769.db2.gz XHWBFCNBGYRYHS-MSOLQXFVSA-N 1 0 405.564 4.289 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000428730959 857312853 /nfs/dbraw/zinc/31/28/53/857312853.db2.gz XHWBFCNBGYRYHS-ZWKOTPCHSA-N 1 0 405.564 4.289 20 5 HIBDRO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000437589173 862902332 /nfs/dbraw/zinc/90/23/32/862902332.db2.gz CWTGLPMWEHSWJP-HNNXBMFYSA-N 1 0 402.882 4.377 20 5 HIBDRO C[C@H](N[C@@H](C)[C@H]1OCCc2sccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429158642 857535060 /nfs/dbraw/zinc/53/50/60/857535060.db2.gz CRYWEJZCMNHECX-NVGCLXPQSA-N 1 0 400.460 4.059 20 5 HIBDRO CCCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000437608175 862924732 /nfs/dbraw/zinc/92/47/32/862924732.db2.gz UEQISNLFEUJBFM-CVEARBPZSA-N 1 0 422.526 4.119 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000429235348 857568279 /nfs/dbraw/zinc/56/82/79/857568279.db2.gz IQMOSLDZDVPBOD-WZONZLPQSA-N 1 0 417.465 4.046 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430639459 858244363 /nfs/dbraw/zinc/24/43/63/858244363.db2.gz FRJCNZPGDUDHGK-LNLFQRSKSA-N 1 0 413.543 4.245 20 5 HIBDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C[C@H](C)O2 ZINC000430769522 858297819 /nfs/dbraw/zinc/29/78/19/858297819.db2.gz WCJHESZNLBTAEF-VWKPWSFCSA-N 1 0 402.516 4.482 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431166097 858481819 /nfs/dbraw/zinc/48/18/19/858481819.db2.gz HFFXKJKHZLGUPN-UHFFFAOYSA-N 1 0 420.307 4.129 20 5 HIBDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000432783667 859358332 /nfs/dbraw/zinc/35/83/32/859358332.db2.gz CLHVRAZCJXEUMP-UHFFFAOYSA-N 1 0 415.465 4.264 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000467700760 881496044 /nfs/dbraw/zinc/49/60/44/881496044.db2.gz NOODGPZGMGPWSC-CZUORRHYSA-N 1 0 407.392 4.006 20 5 HIBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000434305139 860267511 /nfs/dbraw/zinc/26/75/11/860267511.db2.gz BJZFYSUKCSVIES-FQEVSTJZSA-N 1 0 419.485 4.107 20 5 HIBDRO Cc1c(NC(=O)NCCC[NH2+]C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435329097 860740874 /nfs/dbraw/zinc/74/08/74/860740874.db2.gz NZFMKFZVUMJNFS-UHFFFAOYSA-N 1 0 413.316 4.100 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000437838508 863193253 /nfs/dbraw/zinc/19/32/53/863193253.db2.gz UDRYGRJELCQTBA-IBGZPJMESA-N 1 0 403.526 4.208 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437913794 863290349 /nfs/dbraw/zinc/29/03/49/863290349.db2.gz IFCSUUOWLBSGCI-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437928983 863306031 /nfs/dbraw/zinc/30/60/31/863306031.db2.gz RUAPDUBNDJUYSQ-UHFFFAOYSA-N 1 0 408.502 4.065 20 5 HIBDRO CC[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000437935585 863310266 /nfs/dbraw/zinc/31/02/66/863310266.db2.gz SJYOZKHLUHLSOJ-NRFANRHFSA-N 1 0 422.529 4.106 20 5 HIBDRO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000467867114 881722878 /nfs/dbraw/zinc/72/28/78/881722878.db2.gz NSWPYZUVEFIJPI-INIZCTEOSA-N 1 0 405.458 4.162 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)o2)c(Br)c1 ZINC000438902169 864382083 /nfs/dbraw/zinc/38/20/83/864382083.db2.gz DXSZJUHBCWTVFU-KYJSFNMBSA-N 1 0 407.264 4.274 20 5 HIBDRO CCc1ccc([C@H]([NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000439140696 864573875 /nfs/dbraw/zinc/57/38/75/864573875.db2.gz IRAIDTIVYIVDMT-JOCHJYFZSA-N 1 0 409.490 4.130 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000439299165 864725311 /nfs/dbraw/zinc/72/53/11/864725311.db2.gz PBAHWDDHCMZBLG-JXFKEZNVSA-N 1 0 406.523 4.419 20 5 HIBDRO COc1ccc(NC(=O)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000467973535 881829766 /nfs/dbraw/zinc/82/97/66/881829766.db2.gz NSHKVEFDFJXNOU-JOCHJYFZSA-N 1 0 405.454 4.116 20 5 HIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817283 865134931 /nfs/dbraw/zinc/13/49/31/865134931.db2.gz AWYXEQCLVFGZNZ-HOTGVXAUSA-N 1 0 400.454 4.329 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000439928589 865230775 /nfs/dbraw/zinc/23/07/75/865230775.db2.gz JZAGPDHEONUWEZ-UHFFFAOYSA-N 1 0 400.479 4.109 20 5 HIBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440542690 865811910 /nfs/dbraw/zinc/81/19/10/865811910.db2.gz FNZIZFPGMCREJK-QSAZIKIQSA-N 1 0 411.502 4.462 20 5 HIBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441266094 866339573 /nfs/dbraw/zinc/33/95/73/866339573.db2.gz UKIPWWWNEVZQQX-KZULUSFZSA-N 1 0 407.392 4.296 20 5 HIBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370209 866438852 /nfs/dbraw/zinc/43/88/52/866438852.db2.gz HDJVBJQTZKDIAN-WIYYLYMNSA-N 1 0 421.501 4.075 20 5 HIBDRO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000442716439 867643805 /nfs/dbraw/zinc/64/38/05/867643805.db2.gz QWMYUJHKGFAYBE-KRWDZBQOSA-N 1 0 411.527 4.304 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000443961720 868495077 /nfs/dbraw/zinc/49/50/77/868495077.db2.gz JYVRHLHSSHFAAS-LJQANCHMSA-N 1 0 412.490 4.179 20 5 HIBDRO C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444307850 868739534 /nfs/dbraw/zinc/73/95/34/868739534.db2.gz MGKXBGFMBZBIGH-FUHWJXTLSA-N 1 0 403.526 4.064 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000444734028 868981171 /nfs/dbraw/zinc/98/11/71/868981171.db2.gz RMOJWLLTWIUDNW-KRWDZBQOSA-N 1 0 405.454 4.463 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000444919125 869104723 /nfs/dbraw/zinc/10/47/23/869104723.db2.gz JCUXHTSQXOXQCA-UHFFFAOYSA-N 1 0 418.881 4.043 20 5 HIBDRO C[C@H](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+](C)Cc1ccccc1 ZINC000444995100 869150763 /nfs/dbraw/zinc/15/07/63/869150763.db2.gz GJYSSVIIZSFPMO-GOSISDBHSA-N 1 0 413.521 4.322 20 5 HIBDRO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445814557 869836800 /nfs/dbraw/zinc/83/68/00/869836800.db2.gz ZHCGJCAFXHZIQE-BFUOFWGJSA-N 1 0 423.498 4.181 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000446484011 870397300 /nfs/dbraw/zinc/39/73/00/870397300.db2.gz FYKNSKKPLXKMBV-MRXNPFEDSA-N 1 0 422.407 4.318 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000446487795 870400857 /nfs/dbraw/zinc/40/08/57/870400857.db2.gz FUKJVFFPWITKEX-UGKGYDQZSA-N 1 0 408.502 4.422 20 5 HIBDRO COCC[C@]1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000447079426 870965606 /nfs/dbraw/zinc/96/56/06/870965606.db2.gz YXGJJQPJHFFDGB-FQEVSTJZSA-N 1 0 406.866 4.326 20 5 HIBDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1OC1CCCC1 ZINC000447531648 871395716 /nfs/dbraw/zinc/39/57/16/871395716.db2.gz SBIUZFCZDHUWNU-RTBURBONSA-N 1 0 414.506 4.395 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1)C1CCCC1 ZINC000447532489 871397517 /nfs/dbraw/zinc/39/75/17/871397517.db2.gz WKOOBFOSEHHVHR-PMACEKPBSA-N 1 0 411.506 4.194 20 5 HIBDRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447546461 871415588 /nfs/dbraw/zinc/41/55/88/871415588.db2.gz WBIMKJSZBMMZFH-QFIPXVFZSA-N 1 0 405.454 4.285 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC000447550820 871427829 /nfs/dbraw/zinc/42/78/29/871427829.db2.gz OGTUFVDJPQYJNO-SJORKVTESA-N 1 0 412.412 4.144 20 5 HIBDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000447581410 871485611 /nfs/dbraw/zinc/48/56/11/871485611.db2.gz UJVLNOVDFMZMMQ-HJPURHCSSA-N 1 0 411.502 4.106 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)n1 ZINC000447590356 871497449 /nfs/dbraw/zinc/49/74/49/871497449.db2.gz CALLIXLWJUWMOZ-QGPMSJSTSA-N 1 0 423.439 4.162 20 5 HIBDRO O=C1[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccc(F)cc1F ZINC000447599973 871507635 /nfs/dbraw/zinc/50/76/35/871507635.db2.gz LEPJLBCDFCTNIO-LEWJYISDSA-N 1 0 415.440 4.031 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000447674820 871605918 /nfs/dbraw/zinc/60/59/18/871605918.db2.gz HFAVVRYCZMKXNZ-UHFFFAOYSA-N 1 0 408.371 4.099 20 5 HIBDRO C[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448353489 872300677 /nfs/dbraw/zinc/30/06/77/872300677.db2.gz GYXCMPYDDYUISC-INIZCTEOSA-N 1 0 416.449 4.296 20 5 HIBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448362031 872309994 /nfs/dbraw/zinc/30/99/94/872309994.db2.gz ZDBNQPSUNPFFIA-UWJYYQICSA-N 1 0 414.502 4.308 20 5 HIBDRO C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448364916 872314123 /nfs/dbraw/zinc/31/41/23/872314123.db2.gz HLBSJHLYIJACKZ-SFHVURJKSA-N 1 0 411.502 4.133 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000460458584 873137550 /nfs/dbraw/zinc/13/75/50/873137550.db2.gz HMSSOFDHMUYCLD-UHFFFAOYSA-N 1 0 423.300 4.214 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000460494830 873179994 /nfs/dbraw/zinc/17/99/94/873179994.db2.gz ZCCRDVHKFRKQIC-YUXAGFNASA-N 1 0 422.529 4.128 20 5 HIBDRO CC[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000460497094 873183981 /nfs/dbraw/zinc/18/39/81/873183981.db2.gz RXJFIXLOTQFTNI-XPNTWCBSSA-N 1 0 422.529 4.209 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000468635376 882767404 /nfs/dbraw/zinc/76/74/04/882767404.db2.gz ORCIGQDXTWLYBD-MOVXZBDNSA-N 1 0 410.392 4.046 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000468636549 882770882 /nfs/dbraw/zinc/77/08/82/882770882.db2.gz CSBCXKOLEXPGLU-ODHXBGJQSA-N 1 0 410.392 4.046 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCCC1)c1ccccc1 ZINC000468705304 882822115 /nfs/dbraw/zinc/82/21/15/882822115.db2.gz DCHCIMBJJYWNPE-MRXNPFEDSA-N 1 0 417.531 4.074 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000461411761 874428572 /nfs/dbraw/zinc/42/85/72/874428572.db2.gz RUZWVNKULPBJRA-IBGZPJMESA-N 1 0 420.893 4.308 20 5 HIBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000461469744 874525800 /nfs/dbraw/zinc/52/58/00/874525800.db2.gz PDMJBKJVWAZAEG-GOSISDBHSA-N 1 0 406.486 4.108 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462553066 875677608 /nfs/dbraw/zinc/67/76/08/875677608.db2.gz QNZYYXHCPUTWFH-SIKLNZKXSA-N 1 0 412.486 4.230 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)cc1OC(F)F ZINC000462793192 875844092 /nfs/dbraw/zinc/84/40/92/875844092.db2.gz QZTJBRMTZAFEQD-UHFFFAOYSA-N 1 0 405.445 4.341 20 5 HIBDRO C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000464839724 878105951 /nfs/dbraw/zinc/10/59/51/878105951.db2.gz RFJWLQPLBUHWHP-IBGZPJMESA-N 1 0 420.513 4.389 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464840395 878109427 /nfs/dbraw/zinc/10/94/27/878109427.db2.gz UNGAWJZUTMTHJG-IEBWSBKVSA-N 1 0 421.501 4.160 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000465183007 878572015 /nfs/dbraw/zinc/57/20/15/878572015.db2.gz HBGKFIKBPUJFSV-AWEZNQCLSA-N 1 0 403.866 4.221 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503411836 912394756 /nfs/dbraw/zinc/39/47/56/912394756.db2.gz QWQYTFNJWAYPDQ-WBVHZDCISA-N 1 0 422.489 4.118 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H]2CCCC23CCOCC3)cc1OC ZINC000503431788 912431923 /nfs/dbraw/zinc/43/19/23/912431923.db2.gz GKHVVCRVEBXPLI-IIBYNOLFSA-N 1 0 406.523 4.467 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466559323 880333245 /nfs/dbraw/zinc/33/32/45/880333245.db2.gz OARLMNPUBVAFRO-UHFFFAOYSA-N 1 0 404.898 4.089 20 5 HIBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000466589620 880361954 /nfs/dbraw/zinc/36/19/54/880361954.db2.gz ZPJXUCOYEIHSAQ-AWEZNQCLSA-N 1 0 422.938 4.021 20 5 HIBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000466812798 880586866 /nfs/dbraw/zinc/58/68/66/880586866.db2.gz LZCUJUBEGMCZPV-CYBMUJFWSA-N 1 0 405.907 4.081 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000467232372 880959698 /nfs/dbraw/zinc/95/96/98/880959698.db2.gz WZMWFWKCEYJLQK-UHFFFAOYSA-N 1 0 410.946 4.292 20 5 HIBDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 ZINC000469242434 883340992 /nfs/dbraw/zinc/34/09/92/883340992.db2.gz SUEQLMOVHIKYFO-UHFFFAOYSA-N 1 0 408.526 4.078 20 5 HIBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000469931795 884125800 /nfs/dbraw/zinc/12/58/00/884125800.db2.gz YRNVRLZQYHPCQP-OAHLLOKOSA-N 1 0 422.407 4.257 20 5 HIBDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470171139 884450014 /nfs/dbraw/zinc/45/00/14/884450014.db2.gz GBJOFKIDVYMCNF-IUYQLWOBSA-N 1 0 413.440 4.121 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000470179229 884464448 /nfs/dbraw/zinc/46/44/48/884464448.db2.gz UTFDIICLJNOJGE-XMHGGMMESA-N 1 0 407.514 4.335 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000470184163 884473996 /nfs/dbraw/zinc/47/39/96/884473996.db2.gz QSDNSBNMOJATCO-JZJYNLBNSA-N 1 0 407.514 4.165 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 ZINC000470599573 885024588 /nfs/dbraw/zinc/02/45/88/885024588.db2.gz JXHSHHZTDYUQAZ-GOSISDBHSA-N 1 0 420.391 4.128 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000470640248 885066225 /nfs/dbraw/zinc/06/62/25/885066225.db2.gz AFKWSSRUOUSFDN-UHFFFAOYSA-N 1 0 409.939 4.223 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000471456114 886131721 /nfs/dbraw/zinc/13/17/21/886131721.db2.gz XIMWHGFRFFZXQZ-IRXDYDNUSA-N 1 0 401.532 4.102 20 5 HIBDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000471937583 886734616 /nfs/dbraw/zinc/73/46/16/886734616.db2.gz SUFHXOLWVWXCIK-DENIHFKCSA-N 1 0 424.501 4.320 20 5 HIBDRO CCc1ccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000471944025 886745003 /nfs/dbraw/zinc/74/50/03/886745003.db2.gz WTBBIKPKIONSKV-UHFFFAOYSA-N 1 0 424.501 4.224 20 5 HIBDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC[N@@H+]2C2CC2)c1 ZINC000471952392 886759270 /nfs/dbraw/zinc/75/92/70/886759270.db2.gz GQWACNSYRZZEGU-CTNGQTDRSA-N 1 0 410.474 4.011 20 5 HIBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473499689 888223837 /nfs/dbraw/zinc/22/38/37/888223837.db2.gz ZFAZFNHFFDBVGO-JOCHJYFZSA-N 1 0 413.905 4.377 20 5 HIBDRO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473790446 888605026 /nfs/dbraw/zinc/60/50/26/888605026.db2.gz UXNUXWIBEJWBGM-DENIHFKCSA-N 1 0 408.502 4.422 20 5 HIBDRO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473945099 888821441 /nfs/dbraw/zinc/82/14/41/888821441.db2.gz MJMIISFKIKAFIZ-PGRDOPGGSA-N 1 0 410.518 4.004 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000474349691 889226089 /nfs/dbraw/zinc/22/60/89/889226089.db2.gz ABBBOXMLRUCEPI-GQNMWPQZSA-N 1 0 418.877 4.287 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)cc1[N+](=O)[O-] ZINC000474366370 889244434 /nfs/dbraw/zinc/24/44/34/889244434.db2.gz NBIVDRMEKDDTQA-UHFFFAOYSA-N 1 0 418.877 4.359 20 5 HIBDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccncc1 ZINC000475092657 889939195 /nfs/dbraw/zinc/93/91/95/889939195.db2.gz FDCWFAKKVRXDMD-OAQYLSRUSA-N 1 0 411.483 4.286 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000475207791 890077494 /nfs/dbraw/zinc/07/74/94/890077494.db2.gz BIRNZFHQGGVLAW-YJBOKZPZSA-N 1 0 421.339 4.335 20 5 HIBDRO COc1ccc(C[NH2+]CCc2cccc(C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475281014 890180051 /nfs/dbraw/zinc/18/00/51/890180051.db2.gz PPLAFBVJNRNBRM-UHFFFAOYSA-N 1 0 407.470 4.218 20 5 HIBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475314156 890229285 /nfs/dbraw/zinc/22/92/85/890229285.db2.gz RVTHWOBNUSPKNK-IBGZPJMESA-N 1 0 422.510 4.065 20 5 HIBDRO COC(=O)COc1ccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000475581758 890511977 /nfs/dbraw/zinc/51/19/77/890511977.db2.gz KZNCZRNMSUCCSO-UHFFFAOYSA-N 1 0 423.469 4.008 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000504893819 913622890 /nfs/dbraw/zinc/62/28/90/913622890.db2.gz IGHGDTTVJUWAHR-KRWDZBQOSA-N 1 0 400.548 4.428 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000477190859 892114936 /nfs/dbraw/zinc/11/49/36/892114936.db2.gz IMLJJONOODEBFY-IBGZPJMESA-N 1 0 419.909 4.378 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000504899524 913632256 /nfs/dbraw/zinc/63/22/56/913632256.db2.gz IEEJPVOOBCLMSG-LJQANCHMSA-N 1 0 413.543 4.378 20 5 HIBDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000477232381 892172529 /nfs/dbraw/zinc/17/25/29/892172529.db2.gz JFFZUPUAGLRJRD-CWTRNNRKSA-N 1 0 403.866 4.325 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(OC)c(F)c3)o2)c([N+](=O)[O-])c1 ZINC000477271389 892222765 /nfs/dbraw/zinc/22/27/65/892222765.db2.gz YUEKTCPQVNLANW-UHFFFAOYSA-N 1 0 400.406 4.343 20 5 HIBDRO COc1cccc([C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000477304641 892267916 /nfs/dbraw/zinc/26/79/16/892267916.db2.gz CUWRKBZMIVSTBF-IBGZPJMESA-N 1 0 417.893 4.132 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000504911105 913644758 /nfs/dbraw/zinc/64/47/58/913644758.db2.gz AMDZVPUSJNDGKK-VGOFRKELSA-N 1 0 413.518 4.490 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000477434798 892387097 /nfs/dbraw/zinc/38/70/97/892387097.db2.gz CABNJCSGGCAFDZ-UHFFFAOYSA-N 1 0 418.291 4.273 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+]C2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000477442538 892392845 /nfs/dbraw/zinc/39/28/45/892392845.db2.gz YVWMAHDBOYGZBZ-UHFFFAOYSA-N 1 0 418.291 4.273 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000504922119 913658842 /nfs/dbraw/zinc/65/88/42/913658842.db2.gz XUWRFURNUYTRQF-HKUYNNGSSA-N 1 0 419.547 4.030 20 5 HIBDRO Cc1c(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000477753201 892845431 /nfs/dbraw/zinc/84/54/31/892845431.db2.gz ZTHWXUOXVQXUCE-GFCCVEGCSA-N 1 0 411.380 4.309 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1)CC(F)(F)F ZINC000477759753 892850210 /nfs/dbraw/zinc/85/02/10/892850210.db2.gz NFGOIDJSLMLWMX-OAHLLOKOSA-N 1 0 403.445 4.088 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000478341505 893584633 /nfs/dbraw/zinc/58/46/33/893584633.db2.gz LXHGMQCNVDWFFK-KRWDZBQOSA-N 1 0 403.523 4.110 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000479238157 894501400 /nfs/dbraw/zinc/50/14/00/894501400.db2.gz CINCANUJBPUVMU-INIZCTEOSA-N 1 0 406.486 4.381 20 5 HIBDRO C[C@@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479442754 894759549 /nfs/dbraw/zinc/75/95/49/894759549.db2.gz YFTDBNBGIAJOID-QZTJIDSGSA-N 1 0 402.539 4.342 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000479466790 894789720 /nfs/dbraw/zinc/78/97/20/894789720.db2.gz JEAKXGWJUOUGKZ-UHFFFAOYSA-N 1 0 401.532 4.335 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000480430865 895824108 /nfs/dbraw/zinc/82/41/08/895824108.db2.gz CWVHXQNBMGOONK-UHFFFAOYSA-N 1 0 413.543 4.410 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccc1 ZINC000480507537 895875758 /nfs/dbraw/zinc/87/57/58/895875758.db2.gz AREDUVJLXGROAB-INIZCTEOSA-N 1 0 421.501 4.101 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)c1ccncc1 ZINC000480905292 896261733 /nfs/dbraw/zinc/26/17/33/896261733.db2.gz ZJARSLSQAVHFQX-JOCHJYFZSA-N 1 0 416.481 4.353 20 5 HIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000481442736 896840732 /nfs/dbraw/zinc/84/07/32/896840732.db2.gz NLNHOLPNFGYXHL-VBKZILBWSA-N 1 0 405.882 4.251 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000481527671 896890640 /nfs/dbraw/zinc/89/06/40/896890640.db2.gz KMGFXYGCQGYRSS-VLIAUNLRSA-N 1 0 405.882 4.251 20 5 HIBDRO Cc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481645437 897029757 /nfs/dbraw/zinc/02/97/57/897029757.db2.gz VNRQJOIOTSKHJF-UHFFFAOYSA-N 1 0 416.909 4.339 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481893020 897270818 /nfs/dbraw/zinc/27/08/18/897270818.db2.gz SHPGTWRCIYFYSB-GGAORHGYSA-N 1 0 407.514 4.041 20 5 HIBDRO COCCCN1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000481911954 897293944 /nfs/dbraw/zinc/29/39/44/897293944.db2.gz UJGXMNUSFKOYFK-MRXNPFEDSA-N 1 0 403.548 4.475 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000482214739 897694908 /nfs/dbraw/zinc/69/49/08/897694908.db2.gz TZGWCFFUOKQMGL-HSZRJFAPSA-N 1 0 408.502 4.342 20 5 HIBDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482250178 897731542 /nfs/dbraw/zinc/73/15/42/897731542.db2.gz XZDLVUQZQHEREF-CRAIPNDOSA-N 1 0 401.532 4.369 20 5 HIBDRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482281419 897774644 /nfs/dbraw/zinc/77/46/44/897774644.db2.gz DVUXMTWAMZZTEF-QTGUNEKASA-N 1 0 422.529 4.352 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000482471357 898046217 /nfs/dbraw/zinc/04/62/17/898046217.db2.gz TXVBYIWZOJKFQB-IBGZPJMESA-N 1 0 421.419 4.254 20 5 HIBDRO Cc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000482903578 898522918 /nfs/dbraw/zinc/52/29/18/898522918.db2.gz QHEJHDGQZKCWGP-UHFFFAOYSA-N 1 0 421.501 4.227 20 5 HIBDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000483438380 899071362 /nfs/dbraw/zinc/07/13/62/899071362.db2.gz MRRQWNUUALJTQL-KRWDZBQOSA-N 1 0 415.877 4.237 20 5 HIBDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC000484309333 899869018 /nfs/dbraw/zinc/86/90/18/899869018.db2.gz OOAANXQEVPTVTI-UHFFFAOYSA-N 1 0 408.458 4.341 20 5 HIBDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484655028 900099595 /nfs/dbraw/zinc/09/95/95/900099595.db2.gz YJRJCFYKEMBOSG-UYAOXDASSA-N 1 0 408.458 4.433 20 5 HIBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000484969729 900329873 /nfs/dbraw/zinc/32/98/73/900329873.db2.gz NHRZWZJUMLSVHZ-IAGOWNOFSA-N 1 0 415.877 4.397 20 5 HIBDRO C[NH+](C)CC[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(C)(C)C ZINC000485499688 900787942 /nfs/dbraw/zinc/78/79/42/900787942.db2.gz IWZZPEGPJGGONH-NRFANRHFSA-N 1 0 413.518 4.270 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505841487 914492626 /nfs/dbraw/zinc/49/26/26/914492626.db2.gz WARJWKKSJOXOJV-HNNXBMFYSA-N 1 0 422.428 4.148 20 5 HIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC3 ZINC000486443289 901601592 /nfs/dbraw/zinc/60/15/92/901601592.db2.gz FGENOXDLNVLTJB-GOSISDBHSA-N 1 0 415.497 4.432 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1SC ZINC000505906925 914549758 /nfs/dbraw/zinc/54/97/58/914549758.db2.gz QHXGOSZKCRGLTC-HOTGVXAUSA-N 1 0 421.563 4.052 20 5 HIBDRO CSc1cccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000486486873 901642875 /nfs/dbraw/zinc/64/28/75/901642875.db2.gz KNXXXZHWDMLGMG-UHFFFAOYSA-N 1 0 413.543 4.097 20 5 HIBDRO CCNC(=O)C1(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC1 ZINC000486880135 901926040 /nfs/dbraw/zinc/92/60/40/901926040.db2.gz BHHHNSQIDONXDB-UHFFFAOYSA-N 1 0 417.893 4.437 20 5 HIBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000487007452 902011271 /nfs/dbraw/zinc/01/12/71/902011271.db2.gz BJQZTJFNLARSTH-QGZVFWFLSA-N 1 0 409.511 4.104 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc(C(F)(F)F)c1 ZINC000487172764 902085650 /nfs/dbraw/zinc/08/56/50/902085650.db2.gz OSRPLGVZNOONQO-UHFFFAOYSA-N 1 0 420.347 4.022 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cc(C(F)(F)F)c1 ZINC000487186772 902091188 /nfs/dbraw/zinc/09/11/88/902091188.db2.gz KZCJHIGAUZQPNQ-LJQANCHMSA-N 1 0 410.392 4.461 20 5 HIBDRO CC(C)(NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000487523288 902232173 /nfs/dbraw/zinc/23/21/73/902232173.db2.gz FQUJWQQOVOIKDM-KRWDZBQOSA-N 1 0 402.520 4.028 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000487835364 902397301 /nfs/dbraw/zinc/39/73/01/902397301.db2.gz LIEYYVLAVYMGSM-QGZVFWFLSA-N 1 0 405.564 4.291 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000487835360 902397373 /nfs/dbraw/zinc/39/73/73/902397373.db2.gz LIEYYVLAVYMGSM-KRWDZBQOSA-N 1 0 405.564 4.291 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000487845615 902403496 /nfs/dbraw/zinc/40/34/96/902403496.db2.gz XALQYOJUJOIVOR-HZPDHXFCSA-N 1 0 406.442 4.460 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1SC ZINC000487922455 902453588 /nfs/dbraw/zinc/45/35/88/902453588.db2.gz WPYLYTYAPPLLKN-INIZCTEOSA-N 1 0 421.563 4.054 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 ZINC000487956369 902482124 /nfs/dbraw/zinc/48/21/24/902482124.db2.gz LFPGZTHIVWDSHC-SNVBAGLBSA-N 1 0 412.671 4.300 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](COc2ccccc2F)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000489027013 903130587 /nfs/dbraw/zinc/13/05/87/903130587.db2.gz KYIGCMWVPOKLHJ-MGPUTAFESA-N 1 0 417.481 4.453 20 5 HIBDRO COc1cc(C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccc1[N+](=O)[O-] ZINC000489231176 903277382 /nfs/dbraw/zinc/27/73/82/903277382.db2.gz IULWSXILYRBQKY-HXUWFJFHSA-N 1 0 415.877 4.205 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000489732349 903566261 /nfs/dbraw/zinc/56/62/61/903566261.db2.gz GILRAVUURVWJQK-QHCPKHFHSA-N 1 0 422.529 4.070 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490043889 903740379 /nfs/dbraw/zinc/74/03/79/903740379.db2.gz CIZYDKFXJKNBKB-UHFFFAOYSA-N 1 0 403.866 4.250 20 5 HIBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490049004 903742605 /nfs/dbraw/zinc/74/26/05/903742605.db2.gz VAXIGAWFTCAUJD-IBGZPJMESA-N 1 0 405.882 4.205 20 5 HIBDRO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490339562 903929689 /nfs/dbraw/zinc/92/96/89/903929689.db2.gz JMSODWUQOBMGTK-CQSZACIVSA-N 1 0 422.428 4.245 20 5 HIBDRO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490788237 904234561 /nfs/dbraw/zinc/23/45/61/904234561.db2.gz BANFROMMZOIWPK-GOEBONIOSA-N 1 0 421.419 4.254 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000491085078 904418272 /nfs/dbraw/zinc/41/82/72/904418272.db2.gz LWHYHVPOZXDTES-KRWDZBQOSA-N 1 0 413.543 4.443 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491082073 904418660 /nfs/dbraw/zinc/41/86/60/904418660.db2.gz ZPYPGNDXEATAAS-AWEZNQCLSA-N 1 0 410.392 4.376 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491425466 904592355 /nfs/dbraw/zinc/59/23/55/904592355.db2.gz ZQUFDFPUECMIOI-JPYJTQIMSA-N 1 0 422.529 4.179 20 5 HIBDRO COc1ccc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492577097 904870224 /nfs/dbraw/zinc/87/02/24/904870224.db2.gz DNCURVFPXORQNN-LJQANCHMSA-N 1 0 420.391 4.198 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345119 905093308 /nfs/dbraw/zinc/09/33/08/905093308.db2.gz VVWXZARUMMHFDQ-OXQOHEQNSA-N 1 0 411.527 4.221 20 5 HIBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C[NH+]1CCCCCC1 ZINC000493970208 905319382 /nfs/dbraw/zinc/31/93/82/905319382.db2.gz QXVFSRZIQYCACT-UHFFFAOYSA-N 1 0 416.547 4.445 20 5 HIBDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493988745 905332034 /nfs/dbraw/zinc/33/20/34/905332034.db2.gz HPIGPZKSIZCTLD-QHCPKHFHSA-N 1 0 405.454 4.311 20 5 HIBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000494063080 905399943 /nfs/dbraw/zinc/39/99/43/905399943.db2.gz RLESRIGLEZHAEI-UHFFFAOYSA-N 1 0 410.518 4.152 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)cc1SC ZINC000494070301 905408773 /nfs/dbraw/zinc/40/87/73/905408773.db2.gz WJQAIMMVLMOTCI-UHFFFAOYSA-N 1 0 409.552 4.052 20 5 HIBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494070119 905409218 /nfs/dbraw/zinc/40/92/18/905409218.db2.gz VBPJHBIAJVOUHC-DYVFJYSZSA-N 1 0 407.392 4.006 20 5 HIBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000512455844 921173125 /nfs/dbraw/zinc/17/31/25/921173125.db2.gz JAWCRXVELCOVPC-MRXNPFEDSA-N 1 0 401.532 4.308 20 5 HIBDRO COc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000494465505 905748735 /nfs/dbraw/zinc/74/87/35/905748735.db2.gz NEXGIKMSRJYGCQ-NSHDSACASA-N 1 0 414.380 4.490 20 5 HIBDRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494480757 905762958 /nfs/dbraw/zinc/76/29/58/905762958.db2.gz AGSRFHGGOGFTLC-FQEVSTJZSA-N 1 0 423.435 4.085 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494490458 905774811 /nfs/dbraw/zinc/77/48/11/905774811.db2.gz GWTNGXSQLSCCAQ-AZUAARDMSA-N 1 0 403.866 4.005 20 5 HIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000495441044 906453827 /nfs/dbraw/zinc/45/38/27/906453827.db2.gz ZXEZYTBTPZBRTG-CYBMUJFWSA-N 1 0 402.882 4.425 20 5 HIBDRO COc1cccc(C2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000512639694 921270684 /nfs/dbraw/zinc/27/06/84/921270684.db2.gz ZQGJJODIMWJSIC-UHFFFAOYSA-N 1 0 406.486 4.384 20 5 HIBDRO COc1ccc(CCC[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000497471934 906954286 /nfs/dbraw/zinc/95/42/86/906954286.db2.gz ISSOCUULAHQWFW-CQSZACIVSA-N 1 0 405.882 4.148 20 5 HIBDRO Cc1c(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000512737320 921299451 /nfs/dbraw/zinc/29/94/51/921299451.db2.gz ZYHKKRLPQNEWEA-INIZCTEOSA-N 1 0 422.407 4.318 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000512795702 921312758 /nfs/dbraw/zinc/31/27/58/921312758.db2.gz YFRWIZHPCIMTQY-QGZVFWFLSA-N 1 0 422.451 4.337 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)C1 ZINC000498303474 907829068 /nfs/dbraw/zinc/82/90/68/907829068.db2.gz KPOAPJPOLAMLBX-INIZCTEOSA-N 1 0 420.469 4.116 20 5 HIBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498362320 907858137 /nfs/dbraw/zinc/85/81/37/907858137.db2.gz GBDNSZLSSZYZSD-GDBMZVCRSA-N 1 0 403.866 4.045 20 5 HIBDRO CC(C)c1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000512857035 921359812 /nfs/dbraw/zinc/35/98/12/921359812.db2.gz PNVMYAWCGVKCBU-LJQANCHMSA-N 1 0 407.308 4.478 20 5 HIBDRO CC(C)c1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000512857033 921360328 /nfs/dbraw/zinc/36/03/28/921360328.db2.gz PNVMYAWCGVKCBU-IBGZPJMESA-N 1 0 407.308 4.478 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000512865553 921365391 /nfs/dbraw/zinc/36/53/91/921365391.db2.gz UGCQELOMGDCUSA-ZDUSSCGKSA-N 1 0 424.906 4.096 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498507082 907980224 /nfs/dbraw/zinc/98/02/24/907980224.db2.gz BTIYPLCCJSKDFA-MSOLQXFVSA-N 1 0 405.564 4.046 20 5 HIBDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000498561102 908022262 /nfs/dbraw/zinc/02/22/62/908022262.db2.gz QHRRPEZOPZWCDP-TZIWHRDSSA-N 1 0 410.474 4.011 20 5 HIBDRO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498689344 908117478 /nfs/dbraw/zinc/11/74/78/908117478.db2.gz LLYHSNBYKUXYHZ-RXVVDRJESA-N 1 0 422.529 4.179 20 5 HIBDRO COc1cc(C[NH2+]CC2(C(F)(F)F)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000512976863 921449356 /nfs/dbraw/zinc/44/93/56/921449356.db2.gz BOFNJJXUNWUBGE-UHFFFAOYSA-N 1 0 416.318 4.367 20 5 HIBDRO COc1ccc(C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000513012757 921476824 /nfs/dbraw/zinc/47/68/24/921476824.db2.gz SQGXSDVQZGBUKE-LJQANCHMSA-N 1 0 410.392 4.114 20 5 HIBDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000513090504 921541487 /nfs/dbraw/zinc/54/14/87/921541487.db2.gz UZJFLVHFIHSWBH-MHZLTWQESA-N 1 0 400.525 4.492 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000500844242 910118946 /nfs/dbraw/zinc/11/89/46/910118946.db2.gz SBCOHAUSMZAMCS-CRAIPNDOSA-N 1 0 422.510 4.284 20 5 HIBDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501149615 910324234 /nfs/dbraw/zinc/32/42/34/910324234.db2.gz HJXYVJMASSNESG-UHFFFAOYSA-N 1 0 408.458 4.143 20 5 HIBDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000501648219 910735729 /nfs/dbraw/zinc/73/57/29/910735729.db2.gz GPOUNYPOTJIIPP-UHFFFAOYSA-N 1 0 424.545 4.401 20 5 HIBDRO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501960728 910947286 /nfs/dbraw/zinc/94/72/86/910947286.db2.gz YQCUTHLLVYVWBI-LPHOPBHVSA-N 1 0 406.486 4.374 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502283997 911237004 /nfs/dbraw/zinc/23/70/04/911237004.db2.gz LLZCNHMAFKQKFO-FAEJEUNOSA-N 1 0 423.941 4.175 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(C(F)(F)F)cc1 ZINC000502515065 911519553 /nfs/dbraw/zinc/51/95/53/911519553.db2.gz HZVDJWJMMWNLJS-GOSISDBHSA-N 1 0 424.423 4.130 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1 ZINC000502619404 911643281 /nfs/dbraw/zinc/64/32/81/911643281.db2.gz VEAWBLUUXHUSOQ-PXNSSMCTSA-N 1 0 417.893 4.477 20 5 HIBDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506357183 914978984 /nfs/dbraw/zinc/97/89/84/914978984.db2.gz RGBKAZUJXWIPGF-OAHLLOKOSA-N 1 0 414.483 4.451 20 5 HIBDRO O=C(c1ccc(F)cc1)N1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506493887 915099984 /nfs/dbraw/zinc/09/99/84/915099984.db2.gz CDBIXBVDLNJOLP-UHFFFAOYSA-N 1 0 423.444 4.342 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000506667582 915343599 /nfs/dbraw/zinc/34/35/99/915343599.db2.gz CRDXNHPQUOOECA-BLLLJJGKSA-N 1 0 421.881 4.333 20 5 HIBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000506686630 915364310 /nfs/dbraw/zinc/36/43/10/915364310.db2.gz HEHTYUWYESXVDX-UHFFFAOYSA-N 1 0 405.882 4.246 20 5 HIBDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000506732907 915418850 /nfs/dbraw/zinc/41/88/50/915418850.db2.gz AUQMEWJPIXUNPB-NRFANRHFSA-N 1 0 422.485 4.350 20 5 HIBDRO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000507939525 916808496 /nfs/dbraw/zinc/80/84/96/916808496.db2.gz VSOOUURSIDDDMI-UHFFFAOYSA-N 1 0 407.392 4.028 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000507947496 916810962 /nfs/dbraw/zinc/81/09/62/916810962.db2.gz FFCCQLWECKDQML-GOSISDBHSA-N 1 0 418.497 4.157 20 5 HIBDRO COc1cc(C[NH2+]CC(C)(C)c2cccc(Br)c2)c([N+](=O)[O-])cc1O ZINC000508044135 916872251 /nfs/dbraw/zinc/87/22/51/916872251.db2.gz KWGFSHOHTWPEKG-UHFFFAOYSA-N 1 0 409.280 4.139 20 5 HIBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000508454611 917239459 /nfs/dbraw/zinc/23/94/59/917239459.db2.gz ILSBWEMOMFFIDY-GOSISDBHSA-N 1 0 401.532 4.482 20 5 HIBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000508648621 917414192 /nfs/dbraw/zinc/41/41/92/917414192.db2.gz DUHSOYDRRWTGNS-HIFRSBDPSA-N 1 0 403.866 4.126 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509030813 917785294 /nfs/dbraw/zinc/78/52/94/917785294.db2.gz KCRNDQAFLYWXFR-AWEZNQCLSA-N 1 0 422.451 4.005 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000509266548 917953210 /nfs/dbraw/zinc/95/32/10/917953210.db2.gz YWGFBTTYFJGFOW-RTBURBONSA-N 1 0 404.555 4.273 20 5 HIBDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000509570782 918220972 /nfs/dbraw/zinc/22/09/72/918220972.db2.gz JOOBNKGADUTBKL-UHFFFAOYSA-N 1 0 401.532 4.402 20 5 HIBDRO CCOc1cc(C[NH+]2CCCC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509593244 918243036 /nfs/dbraw/zinc/24/30/36/918243036.db2.gz OTFUPPZHAIICLY-UHFFFAOYSA-N 1 0 414.458 4.035 20 5 HIBDRO COc1ccc(C[NH2+]CCN2CCC(C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509622859 918270208 /nfs/dbraw/zinc/27/02/08/918270208.db2.gz XCKYSKSSYRHBJU-UHFFFAOYSA-N 1 0 413.518 4.004 20 5 HIBDRO C[C@H](NC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000509760717 918374634 /nfs/dbraw/zinc/37/46/34/918374634.db2.gz HGEQYOULUCZPEA-WSTZPKSXSA-N 1 0 410.518 4.256 20 5 HIBDRO C[NH+](C)CC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000509908411 918510796 /nfs/dbraw/zinc/51/07/96/918510796.db2.gz FVHHTKFHSRFHRM-UHFFFAOYSA-N 1 0 417.893 4.454 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510100638 918665301 /nfs/dbraw/zinc/66/53/01/918665301.db2.gz SBDRUOAQMZMXOI-IEBWSBKVSA-N 1 0 413.543 4.104 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510134019 918690813 /nfs/dbraw/zinc/69/08/13/918690813.db2.gz WFKGJUMYRHNDGJ-AZUAARDMSA-N 1 0 409.530 4.289 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510149654 918703759 /nfs/dbraw/zinc/70/37/59/918703759.db2.gz SSXFOEZEZYHDEK-DOTOQJQBSA-N 1 0 401.894 4.279 20 5 HIBDRO Cn1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510205974 918755131 /nfs/dbraw/zinc/75/51/31/918755131.db2.gz BBBQALAFHVGUFW-UHFFFAOYSA-N 1 0 409.465 4.211 20 5 HIBDRO COc1cc(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000510450342 918906780 /nfs/dbraw/zinc/90/67/80/918906780.db2.gz UCBUAKHDFPHIPS-LZWOXQAQSA-N 1 0 413.465 4.042 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000510537887 918981990 /nfs/dbraw/zinc/98/19/90/918981990.db2.gz KMCZUILAJWVRHY-GOSISDBHSA-N 1 0 422.485 4.285 20 5 HIBDRO C[C@@H]1CN(C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CCO1 ZINC000510551523 918996669 /nfs/dbraw/zinc/99/66/69/918996669.db2.gz JAPDMYAHFYPIRF-OAHLLOKOSA-N 1 0 419.909 4.193 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000510822336 919300471 /nfs/dbraw/zinc/30/04/71/919300471.db2.gz UPUXJAGMNHHAEB-IBGZPJMESA-N 1 0 424.545 4.211 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511270684 919869587 /nfs/dbraw/zinc/86/95/87/919869587.db2.gz SFECTRZDFWVGNF-CVEARBPZSA-N 1 0 405.564 4.478 20 5 HIBDRO C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000511322235 919912705 /nfs/dbraw/zinc/91/27/05/919912705.db2.gz GNKZGQLETOGGMV-CQSZACIVSA-N 1 0 415.877 4.421 20 5 HIBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496261 920105785 /nfs/dbraw/zinc/10/57/85/920105785.db2.gz UGRDPPXTAOTBAF-WBVHZDCISA-N 1 0 416.547 4.235 20 5 HIBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511640287 920306165 /nfs/dbraw/zinc/30/61/65/920306165.db2.gz LULWXTCAXHODHJ-HXUWFJFHSA-N 1 0 400.475 4.183 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000511713202 920378712 /nfs/dbraw/zinc/37/87/12/920378712.db2.gz CZYKBFLVMUBCBH-HXUWFJFHSA-N 1 0 413.543 4.347 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000511753576 920432678 /nfs/dbraw/zinc/43/26/78/920432678.db2.gz LTRLHYVRFHBPBM-JOCHJYFZSA-N 1 0 420.513 4.036 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)C1 ZINC000512074290 920839902 /nfs/dbraw/zinc/83/99/02/920839902.db2.gz QEGOWJXJVRJWAJ-INIZCTEOSA-N 1 0 406.486 4.238 20 5 HIBDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000512337879 921084019 /nfs/dbraw/zinc/08/40/19/921084019.db2.gz JTRQBXNGKQEJSU-AWEZNQCLSA-N 1 0 408.401 4.203 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513491465 921843645 /nfs/dbraw/zinc/84/36/45/921843645.db2.gz UCOXVIPTXLXXMI-LJQANCHMSA-N 1 0 400.475 4.041 20 5 HIBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]C[C@@H]3COCCO3)cc2[N+](=O)[O-])cc1 ZINC000513612528 921942451 /nfs/dbraw/zinc/94/24/51/921942451.db2.gz BXAXNRTVQFAUNE-LJQANCHMSA-N 1 0 400.475 4.190 20 5 HIBDRO Cn1ccnc1[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000513760201 922077257 /nfs/dbraw/zinc/07/72/57/922077257.db2.gz ILTHYUYGKXCFSS-NRFANRHFSA-N 1 0 411.550 4.196 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000513823590 922147743 /nfs/dbraw/zinc/14/77/43/922147743.db2.gz XCQMXOKMKDDOTE-NQIIRXRSSA-N 1 0 411.502 4.049 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514075279 922398833 /nfs/dbraw/zinc/39/88/33/922398833.db2.gz CMYDTLHURLGADH-UEVCKROQSA-N 1 0 424.497 4.230 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000514173792 922511898 /nfs/dbraw/zinc/51/18/98/922511898.db2.gz YSPVAWFWRVAGJY-UHFFFAOYSA-N 1 0 409.408 4.251 20 5 HIBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000514635048 922736626 /nfs/dbraw/zinc/73/66/26/922736626.db2.gz QMLNUPYSLYCIOY-QGZVFWFLSA-N 1 0 415.465 4.264 20 5 HIBDRO COC[C@]1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000514636258 922739069 /nfs/dbraw/zinc/73/90/69/922739069.db2.gz VAEKNJZAIJLHHA-APTRMMRNSA-N 1 0 410.514 4.010 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC ZINC000514786588 922802743 /nfs/dbraw/zinc/80/27/43/922802743.db2.gz HEHPTPZQQBGTHC-HUUCEWRRSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]CC1(c2ccccc2)CCCCC1 ZINC000515191283 922982283 /nfs/dbraw/zinc/98/22/83/922982283.db2.gz RLWCPKUHHIBBHB-KRWDZBQOSA-N 1 0 411.502 4.422 20 5 HIBDRO COc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Br ZINC000515327404 923051795 /nfs/dbraw/zinc/05/17/95/923051795.db2.gz QDRPHUBKASDDMY-UHFFFAOYSA-N 1 0 404.264 4.180 20 5 HIBDRO O=C(CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000517537173 924251879 /nfs/dbraw/zinc/25/18/79/924251879.db2.gz KFIYFMIVAMBCMH-UHFFFAOYSA-N 1 0 415.465 4.455 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000517551147 924261544 /nfs/dbraw/zinc/26/15/44/924261544.db2.gz AGLRLCXPPLMKGX-VQIMIIECSA-N 1 0 400.475 4.230 20 5 HIBDRO COC1CC[NH+](C2(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)CCCC2)CC1 ZINC000518067546 927004471 /nfs/dbraw/zinc/00/44/71/927004471.db2.gz VXRHDDVKGFLNCP-UHFFFAOYSA-N 1 0 401.429 4.449 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)Cc3ccc(F)cc3)s2)cc1 ZINC000518263379 927121179 /nfs/dbraw/zinc/12/11/79/927121179.db2.gz LRHFMAXFLRAGBA-INIZCTEOSA-N 1 0 400.475 4.403 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)s1 ZINC000518270072 927129298 /nfs/dbraw/zinc/12/92/98/927129298.db2.gz WQHGKTKHCGCNDQ-IBGZPJMESA-N 1 0 423.538 4.314 20 5 HIBDRO O=C1[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000518283200 927141754 /nfs/dbraw/zinc/14/17/54/927141754.db2.gz JHFSVSWRQFBRBE-SJORKVTESA-N 1 0 403.891 4.180 20 5 HIBDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000518287177 927145940 /nfs/dbraw/zinc/14/59/40/927145940.db2.gz RPRLYMYNZMWIPW-UHFFFAOYSA-N 1 0 403.548 4.302 20 5 HIBDRO CCC(CC)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000518399798 927240747 /nfs/dbraw/zinc/24/07/47/927240747.db2.gz MNIZOGJRDFBBEK-INIZCTEOSA-N 1 0 419.547 4.320 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000518450765 927282697 /nfs/dbraw/zinc/28/26/97/927282697.db2.gz UBJYYGLIIUOUDM-MRXNPFEDSA-N 1 0 405.445 4.026 20 5 HIBDRO C[NH+](C)CCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000518725955 927457253 /nfs/dbraw/zinc/45/72/53/927457253.db2.gz MFGGUMCNSFBHLX-VKAVYKQESA-N 1 0 424.526 4.203 20 5 HIBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)CC1 ZINC000518785431 927490218 /nfs/dbraw/zinc/49/02/18/927490218.db2.gz XHBXGUVLDHSQRP-UHFFFAOYSA-N 1 0 410.521 4.388 20 5 HIBDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000518838410 927538848 /nfs/dbraw/zinc/53/88/48/927538848.db2.gz SPJRYFMQMXKJLE-INIZCTEOSA-N 1 0 408.882 4.258 20 5 HIBDRO Cc1ccc(C[NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1[N+](=O)[O-] ZINC000519675284 928048000 /nfs/dbraw/zinc/04/80/00/928048000.db2.gz YIUFNLBNTRFJQG-UHFFFAOYSA-N 1 0 406.364 4.348 20 5 HIBDRO Cc1sc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000520271763 928436499 /nfs/dbraw/zinc/43/64/99/928436499.db2.gz IDQLOPZCTNAKKZ-UHFFFAOYSA-N 1 0 415.559 4.429 20 5 HIBDRO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000520554913 928638428 /nfs/dbraw/zinc/63/84/28/928638428.db2.gz TZRWJFNRWKUGSK-UHFFFAOYSA-N 1 0 402.882 4.377 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)cc2)C1 ZINC000521064268 928968951 /nfs/dbraw/zinc/96/89/51/928968951.db2.gz BWJHLEDTWKDZOC-HNNXBMFYSA-N 1 0 420.469 4.333 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])cc1 ZINC000521294977 929107590 /nfs/dbraw/zinc/10/75/90/929107590.db2.gz OTQCXPZVJUHPBR-INIZCTEOSA-N 1 0 411.527 4.269 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000521323421 929137149 /nfs/dbraw/zinc/13/71/49/929137149.db2.gz QXVFSAFPBIETBH-FQEVSTJZSA-N 1 0 410.518 4.039 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)CN2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521820362 929478010 /nfs/dbraw/zinc/47/80/10/929478010.db2.gz NNPCRCPAHPMTJW-GOSISDBHSA-N 1 0 413.518 4.146 20 5 HIBDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000525195943 930082797 /nfs/dbraw/zinc/08/27/97/930082797.db2.gz GEYXIVGUEBZLFK-INIZCTEOSA-N 1 0 407.518 4.434 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530589665 930761551 /nfs/dbraw/zinc/76/15/51/930761551.db2.gz NVVVYFMKPQHMSR-FZKQIMNGSA-N 1 0 407.923 4.148 20 5 HIBDRO CC[C@@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[NH+](C)C ZINC000531709659 931169193 /nfs/dbraw/zinc/16/91/93/931169193.db2.gz MTEUCRYVPZEDLT-INIZCTEOSA-N 1 0 409.845 4.136 20 5 HIBDRO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531727958 931175011 /nfs/dbraw/zinc/17/50/11/931175011.db2.gz HRSSPAZJCMGATN-AWEZNQCLSA-N 1 0 411.483 4.038 20 5 HIBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810993 931205424 /nfs/dbraw/zinc/20/54/24/931205424.db2.gz FNDZOVLMMRDKKV-XIKOKIGWSA-N 1 0 420.307 4.190 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000531953198 931261916 /nfs/dbraw/zinc/26/19/16/931261916.db2.gz ALHGBUSLVIDHPQ-KRWDZBQOSA-N 1 0 411.502 4.257 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532203027 931348017 /nfs/dbraw/zinc/34/80/17/931348017.db2.gz BQEVBVVPTRGSJI-IRXDYDNUSA-N 1 0 419.547 4.346 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)s1 ZINC000532209671 931352363 /nfs/dbraw/zinc/35/23/63/931352363.db2.gz LBQDSRHWRXAYIQ-UHFFFAOYSA-N 1 0 420.487 4.026 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cn1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000532392567 931420765 /nfs/dbraw/zinc/42/07/65/931420765.db2.gz FVLNIIVTGSMWBV-UHFFFAOYSA-N 1 0 423.300 4.035 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CCO)CCC3)o2)c(Br)c1 ZINC000532627254 931560529 /nfs/dbraw/zinc/56/05/29/931560529.db2.gz JDUOWKJBHHERAY-UHFFFAOYSA-N 1 0 409.280 4.260 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)o2)c1 ZINC000532942932 931706156 /nfs/dbraw/zinc/70/61/56/931706156.db2.gz ZNEYBHDWTVIBEM-LJQANCHMSA-N 1 0 421.453 4.401 20 5 HIBDRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533033080 931746924 /nfs/dbraw/zinc/74/69/24/931746924.db2.gz UTTAJVKARGXCNH-CYBMUJFWSA-N 1 0 412.471 4.196 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] ZINC000533047646 931751927 /nfs/dbraw/zinc/75/19/27/931751927.db2.gz QYIVTYLSKXRVEC-MRXNPFEDSA-N 1 0 412.421 4.172 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533059691 931757726 /nfs/dbraw/zinc/75/77/26/931757726.db2.gz ZJBLBJMWCVAFAX-AWEZNQCLSA-N 1 0 418.457 4.462 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCO[C@]4(CCSC4)C3)o2)c([N+](=O)[O-])c1 ZINC000533187561 931804751 /nfs/dbraw/zinc/80/47/51/931804751.db2.gz OOJWJSQMFNYSCR-VBKZILBWSA-N 1 0 404.488 4.008 20 5 HIBDRO C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2)CC1 ZINC000533187189 931804815 /nfs/dbraw/zinc/80/48/15/931804815.db2.gz FARJDCSSIYJULB-UHFFFAOYSA-N 1 0 421.501 4.392 20 5 HIBDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c(C)c1 ZINC000533227720 931814659 /nfs/dbraw/zinc/81/46/59/931814659.db2.gz IXEQMMPOZSFYPV-UHFFFAOYSA-N 1 0 423.513 4.444 20 5 HIBDRO Cc1ccc(OC2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1C ZINC000533251725 931819687 /nfs/dbraw/zinc/81/96/87/931819687.db2.gz MFBNTABPIWVXGT-UHFFFAOYSA-N 1 0 411.502 4.392 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000533347545 931844715 /nfs/dbraw/zinc/84/47/15/931844715.db2.gz MXTQZVIDMLROLZ-TZIWHRDSSA-N 1 0 424.545 4.217 20 5 HIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533395161 931856774 /nfs/dbraw/zinc/85/67/74/931856774.db2.gz LUDVLYBIVYEMMN-UHFFFAOYSA-N 1 0 411.550 4.350 20 5 HIBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000533407167 931860233 /nfs/dbraw/zinc/86/02/33/931860233.db2.gz MNVVJZITEABFPZ-UWJYYQICSA-N 1 0 421.501 4.302 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533420839 931863364 /nfs/dbraw/zinc/86/33/64/931863364.db2.gz PUVOGTJTNUFXJR-REWPJTCUSA-N 1 0 422.529 4.143 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513689 931890553 /nfs/dbraw/zinc/89/05/53/931890553.db2.gz OQQJCZHVGFVURT-RBZFPXEDSA-N 1 0 401.438 4.201 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](CO)CC(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000533803837 932038747 /nfs/dbraw/zinc/03/87/47/932038747.db2.gz MBKARUYOLVAYGP-AWEZNQCLSA-N 1 0 400.422 4.457 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)o2)c1 ZINC000534357127 932391033 /nfs/dbraw/zinc/39/10/33/932391033.db2.gz MJRGQPBLWZAIFS-OAQYLSRUSA-N 1 0 407.470 4.065 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000534541282 932553283 /nfs/dbraw/zinc/55/32/83/932553283.db2.gz JHFPWSZQTQNHIT-QGZVFWFLSA-N 1 0 417.893 4.081 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(CO)c(F)c2)ccc1Oc1ccc(F)cc1 ZINC000535241967 933033624 /nfs/dbraw/zinc/03/36/24/933033624.db2.gz KNZCDJPFUTUEND-UHFFFAOYSA-N 1 0 400.381 4.447 20 5 HIBDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673412 933320916 /nfs/dbraw/zinc/32/09/16/933320916.db2.gz XTNUHYOUSCKNNN-BEFAXECRSA-N 1 0 405.857 4.119 20 5 HIBDRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000535807079 933401611 /nfs/dbraw/zinc/40/16/11/933401611.db2.gz VHAIZKIGDBLXKC-UHFFFAOYSA-N 1 0 401.532 4.482 20 5 HIBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000535812552 933408317 /nfs/dbraw/zinc/40/83/17/933408317.db2.gz ACIRLLCDOJPFFR-UHFFFAOYSA-N 1 0 417.893 4.294 20 5 HIBDRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000535969648 933532844 /nfs/dbraw/zinc/53/28/44/933532844.db2.gz QIKLQHICSJCHAK-UHFFFAOYSA-N 1 0 405.454 4.096 20 5 HIBDRO CCC[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000537434354 933773639 /nfs/dbraw/zinc/77/36/39/933773639.db2.gz GEFXSXIFBRXVCM-QFIPXVFZSA-N 1 0 410.518 4.245 20 5 HIBDRO CC1CCN([C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000562739248 945111006 /nfs/dbraw/zinc/11/10/06/945111006.db2.gz TVJMOGPQQDCXNL-LJQANCHMSA-N 1 0 416.547 4.048 20 5 HIBDRO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562925879 945152970 /nfs/dbraw/zinc/15/29/70/945152970.db2.gz GMUKNOOSCLWBLU-VQIMIIECSA-N 1 0 401.532 4.349 20 5 HIBDRO CCC1(CO)CC[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000537617161 938334941 /nfs/dbraw/zinc/33/49/41/938334941.db2.gz SSGSFGXHUYBDAS-UHFFFAOYSA-N 1 0 414.502 4.167 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537646612 938345195 /nfs/dbraw/zinc/34/51/95/938345195.db2.gz DUULYDHBJRWCDM-CTEOGUNLSA-N 1 0 413.440 4.121 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537646542 938345531 /nfs/dbraw/zinc/34/55/31/938345531.db2.gz DUULYDHBJRWCDM-AFCDSYGPSA-N 1 0 413.440 4.121 20 5 HIBDRO COc1cccc([C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[NH+]2CCCC2)c1 ZINC000537650515 938347271 /nfs/dbraw/zinc/34/72/71/938347271.db2.gz GRKGVWSRZJVLRT-HXUWFJFHSA-N 1 0 411.502 4.096 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000537816658 938383560 /nfs/dbraw/zinc/38/35/60/938383560.db2.gz PAAYLRFCEVAWKW-UHFFFAOYSA-N 1 0 401.551 4.233 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000538096873 938501233 /nfs/dbraw/zinc/50/12/33/938501233.db2.gz YEYQNBRMMHLYBX-XLIONFOSSA-N 1 0 408.502 4.078 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000538149794 938521815 /nfs/dbraw/zinc/52/18/15/938521815.db2.gz FBMVZKZJCQMRLS-QGZVFWFLSA-N 1 0 420.469 4.167 20 5 HIBDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538216794 938560069 /nfs/dbraw/zinc/56/00/69/938560069.db2.gz CCTHCKWGDHOANL-ZDUSSCGKSA-N 1 0 406.280 4.263 20 5 HIBDRO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538716931 938688918 /nfs/dbraw/zinc/68/89/18/938688918.db2.gz NZWIDNNCGFKLFV-PXNSSMCTSA-N 1 0 413.518 4.097 20 5 HIBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000538728296 938694000 /nfs/dbraw/zinc/69/40/00/938694000.db2.gz KTKOGNVYVWFKIL-OLZOCXBDSA-N 1 0 409.280 4.353 20 5 HIBDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538734856 938696356 /nfs/dbraw/zinc/69/63/56/938696356.db2.gz HJSOTYYDTTTXMH-HNNXBMFYSA-N 1 0 403.866 4.095 20 5 HIBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000538736872 938697119 /nfs/dbraw/zinc/69/71/19/938697119.db2.gz LCBRRFCVJKJNMQ-HKUYNNGSSA-N 1 0 408.545 4.111 20 5 HIBDRO CCOc1cc(C[N@@H+]2CC[C@](C)(CC)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538752573 938702764 /nfs/dbraw/zinc/70/27/64/938702764.db2.gz WVTFIAUEYHUIAG-QFIPXVFZSA-N 1 0 416.522 4.199 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000539077854 938796500 /nfs/dbraw/zinc/79/65/00/938796500.db2.gz MSSMYQIDNRBOFS-KRWDZBQOSA-N 1 0 402.539 4.012 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000539091107 938800968 /nfs/dbraw/zinc/80/09/68/938800968.db2.gz LCXIWRNEEIBACF-KURKYZTESA-N 1 0 411.502 4.003 20 5 HIBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OC(F)F ZINC000539256050 938827764 /nfs/dbraw/zinc/82/77/64/938827764.db2.gz VDLOCEGEORQFDK-IAGOWNOFSA-N 1 0 405.401 4.042 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000539268649 938830391 /nfs/dbraw/zinc/83/03/91/938830391.db2.gz SPNVNAOTSJBKHV-OAQYLSRUSA-N 1 0 423.444 4.391 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000539317653 938840329 /nfs/dbraw/zinc/84/03/29/938840329.db2.gz UHGNJFDOMAGFAF-UHFFFAOYSA-N 1 0 415.490 4.102 20 5 HIBDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539491222 938867800 /nfs/dbraw/zinc/86/78/00/938867800.db2.gz LHBVAAIILFUKDP-GOSISDBHSA-N 1 0 414.437 4.367 20 5 HIBDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000539492361 938867943 /nfs/dbraw/zinc/86/79/43/938867943.db2.gz RIEGWJPVXIPLJY-LJQANCHMSA-N 1 0 404.438 4.184 20 5 HIBDRO COc1cc(C[N@H+](C)CCC2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539818667 938942392 /nfs/dbraw/zinc/94/23/92/938942392.db2.gz CZKXDZWQFSTWIN-UHFFFAOYSA-N 1 0 414.502 4.431 20 5 HIBDRO COc1cc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000539824165 938946457 /nfs/dbraw/zinc/94/64/57/938946457.db2.gz AMXMBPRKHVSKBJ-QGZVFWFLSA-N 1 0 405.539 4.089 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)C1CC1 ZINC000540153723 939093484 /nfs/dbraw/zinc/09/34/84/939093484.db2.gz NIMZXNAYXPZYHK-QHCPKHFHSA-N 1 0 410.514 4.401 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC000540194433 939120084 /nfs/dbraw/zinc/12/00/84/939120084.db2.gz IJFPEEQOLAESHY-OAHLLOKOSA-N 1 0 407.264 4.369 20 5 HIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000540352508 939204301 /nfs/dbraw/zinc/20/43/01/939204301.db2.gz OMSSAIUYIIETFA-PBHICJAKSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000540360309 939209102 /nfs/dbraw/zinc/20/91/02/939209102.db2.gz UOTUNXNBMYUGJG-ZDUSSCGKSA-N 1 0 418.400 4.241 20 5 HIBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC(C)C ZINC000540364412 939211047 /nfs/dbraw/zinc/21/10/47/939211047.db2.gz BXQLVRINNFPNDB-INIZCTEOSA-N 1 0 415.490 4.236 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540419821 939241943 /nfs/dbraw/zinc/24/19/43/939241943.db2.gz LXSUSTRKRSJCMV-UHFFFAOYSA-N 1 0 414.531 4.137 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2OC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000540651363 939330987 /nfs/dbraw/zinc/33/09/87/939330987.db2.gz YIYIKZCRZSCMAQ-XLIONFOSSA-N 1 0 400.475 4.087 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000541059763 939445710 /nfs/dbraw/zinc/44/57/10/939445710.db2.gz PMGITGJGGSLLJW-LNLFQRSKSA-N 1 0 407.555 4.190 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000541661556 939594000 /nfs/dbraw/zinc/59/40/00/939594000.db2.gz OSZONEJCXGAGCA-CQSZACIVSA-N 1 0 422.510 4.267 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541702956 939609370 /nfs/dbraw/zinc/60/93/70/939609370.db2.gz AVFHHORHIWQVCF-WIYYLYMNSA-N 1 0 415.465 4.223 20 5 HIBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC[C@@H]21 ZINC000541726245 939615240 /nfs/dbraw/zinc/61/52/40/939615240.db2.gz KHOKEPWPJPAJRC-XLIONFOSSA-N 1 0 417.575 4.433 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541730512 939615779 /nfs/dbraw/zinc/61/57/79/939615779.db2.gz WKKMBXWZXMZDRI-HZPDHXFCSA-N 1 0 415.465 4.197 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCCC2)cc1 ZINC000541780470 939628276 /nfs/dbraw/zinc/62/82/76/939628276.db2.gz NSILWHCFRAYBRB-HXUWFJFHSA-N 1 0 416.453 4.091 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000541784486 939629012 /nfs/dbraw/zinc/62/90/12/939629012.db2.gz OIVDLLDOAREGEW-UHFFFAOYSA-N 1 0 412.465 4.254 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000541786338 939629986 /nfs/dbraw/zinc/62/99/86/939629986.db2.gz LWCSOPCJPHHUGO-WBVHZDCISA-N 1 0 400.454 4.251 20 5 HIBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000542225417 939764254 /nfs/dbraw/zinc/76/42/54/939764254.db2.gz IGYZGDOPZKPECF-UHFFFAOYSA-N 1 0 415.493 4.425 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000542258502 939774592 /nfs/dbraw/zinc/77/45/92/939774592.db2.gz GAMDYFMUXJGSQF-HXUWFJFHSA-N 1 0 406.479 4.029 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N(C)[C@H](C)C3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000542506004 939834345 /nfs/dbraw/zinc/83/43/45/939834345.db2.gz FYSNFRNNCCDVHA-QGZVFWFLSA-N 1 0 410.518 4.322 20 5 HIBDRO C[C@H](C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000542529847 939838320 /nfs/dbraw/zinc/83/83/20/939838320.db2.gz VGMGPIFBJDTBHM-ULQDDVLXSA-N 1 0 413.493 4.110 20 5 HIBDRO COc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000542959644 939886093 /nfs/dbraw/zinc/88/60/93/939886093.db2.gz DNBWTVYVCFGSGQ-MRXNPFEDSA-N 1 0 404.511 4.112 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000543138291 939965766 /nfs/dbraw/zinc/96/57/66/939965766.db2.gz COOSFDKVGWFYQR-OAHLLOKOSA-N 1 0 404.513 4.160 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000543139190 939966307 /nfs/dbraw/zinc/96/63/07/939966307.db2.gz BIFHPNBXWLKMCG-MRXNPFEDSA-N 1 0 410.392 4.018 20 5 HIBDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000543185462 939989170 /nfs/dbraw/zinc/98/91/70/939989170.db2.gz NKYOENJBGIFBBS-YLJYHZDGSA-N 1 0 422.481 4.361 20 5 HIBDRO CC(C)([C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543411867 940057545 /nfs/dbraw/zinc/05/75/45/940057545.db2.gz PHMTUOBSALENPR-OAQYLSRUSA-N 1 0 417.456 4.147 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(OC[C@@H]4CCOC4)CC3)s2)cc1 ZINC000543414768 940057938 /nfs/dbraw/zinc/05/79/38/940057938.db2.gz NFCPTDONKORKJC-MRXNPFEDSA-N 1 0 402.516 4.341 20 5 HIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422442 940060145 /nfs/dbraw/zinc/06/01/45/940060145.db2.gz GKFPZAXLBWDYOG-ZLGUVYLKSA-N 1 0 402.516 4.484 20 5 HIBDRO CCc1ccc([C@H](NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422835 940060417 /nfs/dbraw/zinc/06/04/17/940060417.db2.gz NOWLQDYXOXYJKH-PMAPCBKXSA-N 1 0 415.534 4.319 20 5 HIBDRO Cc1c(Br)c(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000543437485 940063895 /nfs/dbraw/zinc/06/38/95/940063895.db2.gz VSODFEIZGLGYEA-CYBMUJFWSA-N 1 0 420.311 4.093 20 5 HIBDRO C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543455838 940068068 /nfs/dbraw/zinc/06/80/68/940068068.db2.gz FCVQTORWWGUURV-ZIFCJYIRSA-N 1 0 413.493 4.254 20 5 HIBDRO CC[C@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCCO1 ZINC000543491754 940082376 /nfs/dbraw/zinc/08/23/76/940082376.db2.gz BJGDHMWEGHXKEB-SXLOBPIMSA-N 1 0 417.893 4.475 20 5 HIBDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000543497819 940085669 /nfs/dbraw/zinc/08/56/69/940085669.db2.gz XVMZBVBXOBMVQH-GOSISDBHSA-N 1 0 405.882 4.052 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000543519471 940094264 /nfs/dbraw/zinc/09/42/64/940094264.db2.gz YKILTAMEQDMDMD-AWEZNQCLSA-N 1 0 410.499 4.340 20 5 HIBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)[nH]1 ZINC000543621216 940136121 /nfs/dbraw/zinc/13/61/21/940136121.db2.gz IHTLOLVGQGSFDF-CYBMUJFWSA-N 1 0 401.854 4.314 20 5 HIBDRO Cn1cc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000543636152 940144400 /nfs/dbraw/zinc/14/44/00/940144400.db2.gz WAWJAZXDCITIML-FGZHOGPDSA-N 1 0 424.476 4.487 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000543641585 940146324 /nfs/dbraw/zinc/14/63/24/940146324.db2.gz JLKYZHRMUQLSAL-AWEZNQCLSA-N 1 0 402.426 4.099 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000543644418 940147518 /nfs/dbraw/zinc/14/75/18/940147518.db2.gz JZADDGWDSDFIPW-UWJYYQICSA-N 1 0 412.465 4.252 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)c2C1 ZINC000543817753 940195681 /nfs/dbraw/zinc/19/56/81/940195681.db2.gz IFDIPOJQLRIYPL-UHFFFAOYSA-N 1 0 405.401 4.420 20 5 HIBDRO CCN1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000544029175 940304089 /nfs/dbraw/zinc/30/40/89/940304089.db2.gz SKKGWWZEDMTSHC-SHXHPMEISA-N 1 0 405.420 4.450 20 5 HIBDRO CCc1ccc([C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367980 940403888 /nfs/dbraw/zinc/40/38/88/940403888.db2.gz LXAABEOJJZMARY-JOCHJYFZSA-N 1 0 423.469 4.327 20 5 HIBDRO Cc1c(Br)c(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000544396289 940411509 /nfs/dbraw/zinc/41/15/09/940411509.db2.gz YEKURWYSNHIXGA-UKRRQHHQSA-N 1 0 411.344 4.152 20 5 HIBDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544443305 940433225 /nfs/dbraw/zinc/43/32/25/940433225.db2.gz GEHZZKMAIQFPGU-AWEZNQCLSA-N 1 0 407.873 4.081 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000544464613 940442319 /nfs/dbraw/zinc/44/23/19/940442319.db2.gz WRZXZQSYRIGSFG-BTYIYWSLSA-N 1 0 417.481 4.045 20 5 HIBDRO C[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544557947 940478346 /nfs/dbraw/zinc/47/83/46/940478346.db2.gz KOCGBHLADBPDHA-DLBZAZTESA-N 1 0 405.514 4.341 20 5 HIBDRO COc1cc(-c2noc(/C(C)=C/c3ccc([N+](=O)[O-])cc3)n2)ccc1OCC[NH+](C)C ZINC000545572827 940575327 /nfs/dbraw/zinc/57/53/27/940575327.db2.gz LTJLRGCWEFOOKK-FYWRMAATSA-N 1 0 424.457 4.154 20 5 HIBDRO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545830617 940619707 /nfs/dbraw/zinc/61/97/07/940619707.db2.gz BKCGRVOYKDMDIY-SJLPKXTDSA-N 1 0 413.493 4.038 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000546166489 940720170 /nfs/dbraw/zinc/72/01/70/940720170.db2.gz KUIAPYLSNDYLJP-CKNLXJGOSA-N 1 0 405.882 4.331 20 5 HIBDRO COc1cc(-c2noc(/C=C(/C)c3ccc([N+](=O)[O-])cc3)n2)ccc1OCC[NH+](C)C ZINC000546981004 940936394 /nfs/dbraw/zinc/93/63/94/940936394.db2.gz BQYCMUHDAGGUKX-SQFISAMPSA-N 1 0 424.457 4.154 20 5 HIBDRO C[NH+](C)Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)ccc1F ZINC000547162862 941017103 /nfs/dbraw/zinc/01/71/03/941017103.db2.gz QFUUBDRWQWHODS-UHFFFAOYSA-N 1 0 421.226 4.275 20 5 HIBDRO Cc1c(Cc2noc(-c3ccc(C[NH+]4CCSCC4)cc3)n2)cccc1[N+](=O)[O-] ZINC000547194513 941027764 /nfs/dbraw/zinc/02/77/64/941027764.db2.gz KIGXECPUEDEKSD-UHFFFAOYSA-N 1 0 410.499 4.093 20 5 HIBDRO O=C(CC[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548826086 941125528 /nfs/dbraw/zinc/12/55/28/941125528.db2.gz MQVMAZDQJDILJN-HXUWFJFHSA-N 1 0 416.909 4.004 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000548974384 941137069 /nfs/dbraw/zinc/13/70/69/941137069.db2.gz KCYCCUMVLWWFHN-KRWDZBQOSA-N 1 0 411.502 4.155 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000549170230 941168239 /nfs/dbraw/zinc/16/82/39/941168239.db2.gz JBQZVVFPQGRFDB-GOSISDBHSA-N 1 0 409.408 4.427 20 5 HIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550409569 941323450 /nfs/dbraw/zinc/32/34/50/941323450.db2.gz ORWLOUMWUVLTKK-UHFFFAOYSA-N 1 0 408.857 4.148 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000552058123 941575970 /nfs/dbraw/zinc/57/59/70/941575970.db2.gz WOHKCALJMFRVID-MOXGXCLJSA-N 1 0 417.893 4.128 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)c(F)cc2Br)n1 ZINC000552096029 941584037 /nfs/dbraw/zinc/58/40/37/941584037.db2.gz NUYOSOWJFFMAJQ-HUUCEWRRSA-N 1 0 415.238 4.106 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)C34CCCC4)o2)c(Br)c1 ZINC000552316935 941629937 /nfs/dbraw/zinc/62/99/37/941629937.db2.gz UQACSULXSMBLHG-GOSISDBHSA-N 1 0 421.291 4.497 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000552319135 941630819 /nfs/dbraw/zinc/63/08/19/941630819.db2.gz FUSPFEIEIAFROW-KDOFPFPSSA-N 1 0 401.463 4.070 20 5 HIBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552517337 941693761 /nfs/dbraw/zinc/69/37/61/941693761.db2.gz HFPZVUUKRAHKKV-UHFFFAOYSA-N 1 0 413.905 4.377 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553170373 941844001 /nfs/dbraw/zinc/84/40/01/941844001.db2.gz YCMQYJQESLCGPU-XMMPIXPASA-N 1 0 407.514 4.258 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553170372 941844075 /nfs/dbraw/zinc/84/40/75/941844075.db2.gz YCMQYJQESLCGPU-DEOSSOPVSA-N 1 0 407.514 4.258 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](CO)c3ccccc3Cl)cs2)c1 ZINC000554720199 942210722 /nfs/dbraw/zinc/21/07/22/942210722.db2.gz XMTXVGKERRFMDU-CQSZACIVSA-N 1 0 403.891 4.237 20 5 HIBDRO CC(C)(C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000554952385 942331270 /nfs/dbraw/zinc/33/12/70/942331270.db2.gz OWBAOWKPKQUXAY-FQEVSTJZSA-N 1 0 415.921 4.479 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556608687 942914115 /nfs/dbraw/zinc/91/41/15/942914115.db2.gz MYUWSSCGSIACBP-PZJWPPBQSA-N 1 0 412.486 4.326 20 5 HIBDRO Cc1ccc([C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000556868849 942944708 /nfs/dbraw/zinc/94/47/08/942944708.db2.gz XAVYAVUIIRLIER-XZOQPEGZSA-N 1 0 419.529 4.153 20 5 HIBDRO Cn1ccnc1[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000556896266 942956465 /nfs/dbraw/zinc/95/64/65/942956465.db2.gz YCDMPAIMSUONNH-NRFANRHFSA-N 1 0 423.542 4.079 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000557022415 942996318 /nfs/dbraw/zinc/99/63/18/942996318.db2.gz LPBWFQVREOWHQX-UHFFFAOYSA-N 1 0 407.514 4.042 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000557624008 943236075 /nfs/dbraw/zinc/23/60/75/943236075.db2.gz ALCPJCCAEZDMAL-MEDUHNTESA-N 1 0 421.885 4.497 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000557627356 943237386 /nfs/dbraw/zinc/23/73/86/943237386.db2.gz XENBCFANRXPUMG-HTAPYJJXSA-N 1 0 411.502 4.050 20 5 HIBDRO COc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000557627357 943237758 /nfs/dbraw/zinc/23/77/58/943237758.db2.gz XENBCFANRXPUMG-JTSKRJEESA-N 1 0 411.502 4.050 20 5 HIBDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1 ZINC000558226482 943445900 /nfs/dbraw/zinc/44/59/00/943445900.db2.gz OHWJSFFQZWPTDG-LJQANCHMSA-N 1 0 420.897 4.460 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000558779448 943659248 /nfs/dbraw/zinc/65/92/48/943659248.db2.gz LZERDHBRVMKDKK-KRWDZBQOSA-N 1 0 411.502 4.298 20 5 HIBDRO COc1cc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000558790272 943664294 /nfs/dbraw/zinc/66/42/94/943664294.db2.gz LIDFOIACFYMRJG-STQMWFEESA-N 1 0 420.428 4.228 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000559344469 943900407 /nfs/dbraw/zinc/90/04/07/943900407.db2.gz SYQITLOYGOOETF-FQEVSTJZSA-N 1 0 404.470 4.069 20 5 HIBDRO Cc1sc(C2([NH2+]CCn3ccc([N+](=O)[O-])n3)CCC2)nc1-c1ccccc1F ZINC000559479312 943972660 /nfs/dbraw/zinc/97/26/60/943972660.db2.gz FWNAVDRBSSPVHD-UHFFFAOYSA-N 1 0 401.467 4.031 20 5 HIBDRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000560882086 944364548 /nfs/dbraw/zinc/36/45/48/944364548.db2.gz DYHOCRWNFDILAM-AWEZNQCLSA-N 1 0 420.307 4.215 20 5 HIBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000561403508 944581727 /nfs/dbraw/zinc/58/17/27/944581727.db2.gz GFIJVGMMHACVPF-AWEZNQCLSA-N 1 0 405.882 4.148 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3C[C@H]([NH+]4CCCC4)C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000561417738 944588780 /nfs/dbraw/zinc/58/87/80/944588780.db2.gz RRVRWCUBXNGWFM-YLJYHZDGSA-N 1 0 408.502 4.219 20 5 HIBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764381 944786775 /nfs/dbraw/zinc/78/67/75/944786775.db2.gz JEODSCWPBROCLU-YZZKKUAISA-N 1 0 422.529 4.009 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000562079270 944926313 /nfs/dbraw/zinc/92/63/13/944926313.db2.gz JLUQZEMXNMPKBQ-QFIPXVFZSA-N 1 0 406.486 4.088 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000562299546 945054951 /nfs/dbraw/zinc/05/49/51/945054951.db2.gz HFRQOUJCFTTZNO-UTKZUKDTSA-N 1 0 411.502 4.050 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(c4cccc(F)c4F)CC3)o2)cc1 ZINC000562304617 945056596 /nfs/dbraw/zinc/05/65/96/945056596.db2.gz JMTLOJYUMKBJDU-UHFFFAOYSA-N 1 0 400.385 4.303 20 5 HIBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000564143307 945398669 /nfs/dbraw/zinc/39/86/69/945398669.db2.gz FYWQDNOLTYWQGD-UHFFFAOYSA-N 1 0 406.486 4.035 20 5 HIBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000564611378 945704530 /nfs/dbraw/zinc/70/45/30/945704530.db2.gz YUTSPHYIGPBNAC-KRWDZBQOSA-N 1 0 414.412 4.193 20 5 HIBDRO Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000565338154 945815968 /nfs/dbraw/zinc/81/59/68/945815968.db2.gz FWXYDYDKGWQPEB-GOSISDBHSA-N 1 0 410.518 4.176 20 5 HIBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000565571287 945851725 /nfs/dbraw/zinc/85/17/25/945851725.db2.gz KEAOPTGQRBISDR-UHFFFAOYSA-N 1 0 414.509 4.044 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cc1SC ZINC000566586306 946048998 /nfs/dbraw/zinc/04/89/98/946048998.db2.gz KXMFRDHCFWFFJE-UHFFFAOYSA-N 1 0 421.563 4.196 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000566648212 946064018 /nfs/dbraw/zinc/06/40/18/946064018.db2.gz KMZRRDJZMBHHPV-UHFFFAOYSA-N 1 0 402.619 4.143 20 5 HIBDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000568546494 946586416 /nfs/dbraw/zinc/58/64/16/946586416.db2.gz AFEAGXAGVAFMHZ-CQSZACIVSA-N 1 0 409.408 4.139 20 5 HIBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000571307145 947586476 /nfs/dbraw/zinc/58/64/76/947586476.db2.gz NURMMTIAFZIFAP-KRWDZBQOSA-N 1 0 421.501 4.028 20 5 HIBDRO CSc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000572074330 947839956 /nfs/dbraw/zinc/83/99/56/947839956.db2.gz RFENDUFSODMJIP-IFXJQAMLSA-N 1 0 419.572 4.216 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573371702 948171480 /nfs/dbraw/zinc/17/14/80/948171480.db2.gz DFZVNZDKEQJMIG-HSZRJFAPSA-N 1 0 408.502 4.287 20 5 HIBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000573762607 948292548 /nfs/dbraw/zinc/29/25/48/948292548.db2.gz SLIMXCZEFUOUGL-UHFFFAOYSA-N 1 0 423.498 4.476 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000574544747 948467506 /nfs/dbraw/zinc/46/75/06/948467506.db2.gz BACVGUIJHJELHM-DENIHFKCSA-N 1 0 424.545 4.079 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCN(CCc4ccc(F)cc4)CC3)c2c1 ZINC000575021120 948574906 /nfs/dbraw/zinc/57/49/06/948574906.db2.gz QNFKNTMQSYRDNZ-UHFFFAOYSA-N 1 0 410.493 4.054 20 5 HIBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164626069 719066048 /nfs/dbraw/zinc/06/60/48/719066048.db2.gz NZWGMGHPNLCRGS-NVXWUHKLSA-N 1 0 422.863 4.289 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)cc1 ZINC001164629057 719096918 /nfs/dbraw/zinc/09/69/18/719096918.db2.gz QPUUKHWHGQFKBL-NFBKMPQASA-N 1 0 415.497 4.153 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]21 ZINC001165028281 721810682 /nfs/dbraw/zinc/81/06/82/721810682.db2.gz XDQJSHKZBIZYNJ-NQSCKRDGSA-N 1 0 417.513 4.275 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC001165027761 721818329 /nfs/dbraw/zinc/81/83/29/721818329.db2.gz VWSMHDJHBOELSB-CZTZKLFOSA-N 1 0 417.513 4.275 20 5 HIBDRO O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436150947 861448718 /nfs/dbraw/zinc/44/87/18/861448718.db2.gz JQGFDHMCWBACHD-UHFFFAOYSA-N 1 0 418.522 4.376 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448538 845335598 /nfs/dbraw/zinc/33/55/98/845335598.db2.gz LNFPOOSFEFDRTI-QGZVFWFLSA-N 1 0 413.543 4.378 20 5 HIBDRO CCc1ccc([C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000436287593 861594413 /nfs/dbraw/zinc/59/44/13/861594413.db2.gz SVIXYONNPYFQQF-FGSXEWAUSA-N 1 0 411.502 4.220 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000011046014 845748718 /nfs/dbraw/zinc/74/87/18/845748718.db2.gz FIZUEHWZKZHTQZ-QGZVFWFLSA-N 1 0 419.481 4.352 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c2ccncc21 ZINC000015115769 846011162 /nfs/dbraw/zinc/01/11/62/846011162.db2.gz KLFSIGQBEHSCSM-UHFFFAOYSA-N 1 0 416.403 4.484 20 5 HIBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000015339558 846037201 /nfs/dbraw/zinc/03/72/01/846037201.db2.gz IMWFTMUXFCDFMD-UHFFFAOYSA-N 1 0 421.881 4.121 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000025216589 846942692 /nfs/dbraw/zinc/94/26/92/846942692.db2.gz UJBSKSUOUQAXSS-IAQYHMDHSA-N 1 0 421.906 4.411 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+]C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000026219220 847104954 /nfs/dbraw/zinc/10/49/54/847104954.db2.gz JUGJRYLXEDLQET-UHFFFAOYSA-N 1 0 405.454 4.311 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000029174345 847520938 /nfs/dbraw/zinc/52/09/38/847520938.db2.gz VYLUDGVNDCALAY-OAQYLSRUSA-N 1 0 413.543 4.129 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000030152815 847682679 /nfs/dbraw/zinc/68/26/79/847682679.db2.gz TWKYONDORCUVJG-KSSFIOAISA-N 1 0 413.474 4.313 20 5 HIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000030509477 847724851 /nfs/dbraw/zinc/72/48/51/847724851.db2.gz NPWFTCNIXBVPON-NWDGAFQWSA-N 1 0 422.279 4.044 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000049790423 849330013 /nfs/dbraw/zinc/33/00/13/849330013.db2.gz JWWMAGLPKXACBS-IBGZPJMESA-N 1 0 416.547 4.271 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000051132546 849434748 /nfs/dbraw/zinc/43/47/48/849434748.db2.gz BMZQABQADFUMLT-LQBOVUBWSA-N 1 0 411.502 4.330 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133713 849435903 /nfs/dbraw/zinc/43/59/03/849435903.db2.gz LDXXQMSAIPFYAA-WMZHIEFXSA-N 1 0 411.502 4.332 20 5 HIBDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000054295167 849842011 /nfs/dbraw/zinc/84/20/11/849842011.db2.gz JDFOGWCHYZFTBR-UHFFFAOYSA-N 1 0 409.486 4.135 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000060425942 851095448 /nfs/dbraw/zinc/09/54/48/851095448.db2.gz OORLVOHUNGBYFS-QGZVFWFLSA-N 1 0 413.543 4.378 20 5 HIBDRO O=C(NCC[NH+]1CCCCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000060665923 851182917 /nfs/dbraw/zinc/18/29/17/851182917.db2.gz DQFBQDVZOJTLBH-UHFFFAOYSA-N 1 0 416.909 4.076 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437037244 862225980 /nfs/dbraw/zinc/22/59/80/862225980.db2.gz BMNDKSMPLXPTQZ-HKUYNNGSSA-N 1 0 413.543 4.056 20 5 HIBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000063725624 851749180 /nfs/dbraw/zinc/74/91/80/851749180.db2.gz XSRYTNYGKPSQCL-UHFFFAOYSA-N 1 0 410.518 4.153 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065087219 852059848 /nfs/dbraw/zinc/05/98/48/852059848.db2.gz MAAKLFTWXIZRKO-UHFFFAOYSA-N 1 0 422.510 4.244 20 5 HIBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000065940009 852329520 /nfs/dbraw/zinc/32/95/20/852329520.db2.gz IVXLFMTWEYLRBV-UHFFFAOYSA-N 1 0 401.463 4.153 20 5 HIBDRO O=C(c1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000108312309 852838212 /nfs/dbraw/zinc/83/82/12/852838212.db2.gz DRRXEHYUOUZJOG-HXUWFJFHSA-N 1 0 412.490 4.063 20 5 HIBDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000108971626 852901411 /nfs/dbraw/zinc/90/14/11/852901411.db2.gz TYMUUGWOHNNXGZ-OAHLLOKOSA-N 1 0 422.485 4.291 20 5 HIBDRO O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000110515887 853110875 /nfs/dbraw/zinc/11/08/75/853110875.db2.gz WMQKIBLQOHVBDP-KRWDZBQOSA-N 1 0 415.877 4.351 20 5 HIBDRO CC1CC[NH+]([C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c2ccccc2)CC1 ZINC000195594063 853703732 /nfs/dbraw/zinc/70/37/32/853703732.db2.gz VJYDWDFXLANXBK-JOCHJYFZSA-N 1 0 408.502 4.365 20 5 HIBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000195725270 853779449 /nfs/dbraw/zinc/77/94/49/853779449.db2.gz SNQNQFVBFGNVOM-UHFFFAOYSA-N 1 0 411.289 4.497 20 5 HIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000216557906 853856161 /nfs/dbraw/zinc/85/61/61/853856161.db2.gz BZIMJAFDXVBONW-CQSZACIVSA-N 1 0 400.385 4.303 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000217061098 853859598 /nfs/dbraw/zinc/85/95/98/853859598.db2.gz LSCFVDWPRRJNCH-KUHUBIRLSA-N 1 0 422.510 4.483 20 5 HIBDRO COc1cc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237241198 853988574 /nfs/dbraw/zinc/98/85/74/853988574.db2.gz LWJFWLRTUXOPKH-VQTJNVASSA-N 1 0 413.518 4.145 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)c([N+](=O)[O-])cc1O ZINC000237450159 854036155 /nfs/dbraw/zinc/03/61/55/854036155.db2.gz CSJGMGYPVFWBKS-KRWDZBQOSA-N 1 0 423.872 4.028 20 5 HIBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000237562160 854055025 /nfs/dbraw/zinc/05/50/25/854055025.db2.gz MCGQGXXQXUPSLX-CQSZACIVSA-N 1 0 400.866 4.206 20 5 HIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cn1ccnc1 ZINC000237579651 854057169 /nfs/dbraw/zinc/05/71/69/854057169.db2.gz IBWXUSOUIUYDJU-CYBMUJFWSA-N 1 0 419.279 4.240 20 5 HIBDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237642340 854066992 /nfs/dbraw/zinc/06/69/92/854066992.db2.gz ABFSOQHTCKLGQL-FQEVSTJZSA-N 1 0 423.492 4.201 20 5 HIBDRO Cc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000237777148 854095233 /nfs/dbraw/zinc/09/52/33/854095233.db2.gz QIMHWCLPTBHNCP-MRXNPFEDSA-N 1 0 404.308 4.282 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000237821370 854103243 /nfs/dbraw/zinc/10/32/43/854103243.db2.gz ROYYBKCIXSKUKX-UHFFFAOYSA-N 1 0 424.791 4.232 20 5 HIBDRO Cn1cc(C[NH2+]Cc2cccc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933232 854121664 /nfs/dbraw/zinc/12/16/64/854121664.db2.gz SAEYKRQYDLOLEO-UHFFFAOYSA-N 1 0 401.264 4.048 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000237971749 854127855 /nfs/dbraw/zinc/12/78/55/854127855.db2.gz WMNGBAPDBPKLLM-QHCPKHFHSA-N 1 0 414.465 4.271 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccc(CO)c2)cc1 ZINC000237991901 854129717 /nfs/dbraw/zinc/12/97/17/854129717.db2.gz JVTXFQUKMCWPQB-UHFFFAOYSA-N 1 0 414.465 4.230 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCS(=O)(=O)c3ccccc3)s2)cc1 ZINC000237988743 854129849 /nfs/dbraw/zinc/12/98/49/854129849.db2.gz BBUIGQLGJMCHAE-UHFFFAOYSA-N 1 0 416.524 4.277 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(CN4CCOCC4)cc3)s2)cc1 ZINC000238001980 854131689 /nfs/dbraw/zinc/13/16/89/854131689.db2.gz WRFIIJDNDNPODM-UHFFFAOYSA-N 1 0 423.538 4.445 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNc3ccc(CC[NH+]4CCOCC4)cc3)cs2)c1 ZINC000238010517 854133824 /nfs/dbraw/zinc/13/38/24/854133824.db2.gz KQNRDSYRKFCIIE-UHFFFAOYSA-N 1 0 424.526 4.205 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301106943 854298048 /nfs/dbraw/zinc/29/80/48/854298048.db2.gz QAFUHXLDBSXMQJ-HZPDHXFCSA-N 1 0 421.501 4.334 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301596541 854427011 /nfs/dbraw/zinc/42/70/11/854427011.db2.gz SLHQHILXVLNSHH-XMSQKQJNSA-N 1 0 422.529 4.153 20 5 HIBDRO CCc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301763380 854461620 /nfs/dbraw/zinc/46/16/20/854461620.db2.gz GNRJSVPWNVTYSC-DYESRHJHSA-N 1 0 407.518 4.067 20 5 HIBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)nc1-c1ccccc1 ZINC000301880971 854483348 /nfs/dbraw/zinc/48/33/48/854483348.db2.gz VSUPIDVZQRKCAE-OAHLLOKOSA-N 1 0 422.514 4.201 20 5 HIBDRO COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC000301968685 854506157 /nfs/dbraw/zinc/50/61/57/854506157.db2.gz YTEYQJYIROUFQL-UHFFFAOYSA-N 1 0 406.433 4.156 20 5 HIBDRO C[NH+](C)C1CCN(c2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])cc2)CC1 ZINC000301992968 854510930 /nfs/dbraw/zinc/51/09/30/854510930.db2.gz OEXMEGQVZBCDSX-UHFFFAOYSA-N 1 0 420.311 4.026 20 5 HIBDRO Cc1cc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302192582 854546904 /nfs/dbraw/zinc/54/69/04/854546904.db2.gz RNLKAOYXCGNIKB-UHFFFAOYSA-N 1 0 424.888 4.457 20 5 HIBDRO Cc1ccnc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000303683959 855130649 /nfs/dbraw/zinc/13/06/49/855130649.db2.gz KYSSHIZXMBKCAO-UHFFFAOYSA-N 1 0 417.513 4.233 20 5 HIBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000303766310 855184722 /nfs/dbraw/zinc/18/47/22/855184722.db2.gz PRTIITKQHGVZRV-LJQANCHMSA-N 1 0 417.893 4.453 20 5 HIBDRO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000303788746 855198643 /nfs/dbraw/zinc/19/86/43/855198643.db2.gz UPHQNUJRUCUYJK-PXNSSMCTSA-N 1 0 411.502 4.119 20 5 HIBDRO C[C@H]1C[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000303805254 855209183 /nfs/dbraw/zinc/20/91/83/855209183.db2.gz XSACQITYOSLJID-UWJYYQICSA-N 1 0 421.501 4.130 20 5 HIBDRO COc1ccc(Oc2ccc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cc1 ZINC000425970611 856023368 /nfs/dbraw/zinc/02/33/68/856023368.db2.gz HMIOLMLEASNJSM-UHFFFAOYSA-N 1 0 408.458 4.429 20 5 HIBDRO CCCCCOc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OC ZINC000425984460 856030970 /nfs/dbraw/zinc/03/09/70/856030970.db2.gz IHJOTLMYRZAPHH-UHFFFAOYSA-N 1 0 402.495 4.206 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC2)n1 ZINC000425990563 856034461 /nfs/dbraw/zinc/03/44/61/856034461.db2.gz MZOOYJAPIMIRHV-UHFFFAOYSA-N 1 0 409.471 4.498 20 5 HIBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000427447237 856823987 /nfs/dbraw/zinc/82/39/87/856823987.db2.gz VCSCOPCTTKJZTK-UHFFFAOYSA-N 1 0 401.385 4.077 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000429430554 857663437 /nfs/dbraw/zinc/66/34/37/857663437.db2.gz RXVKTNVJMQLMSQ-HOCLYGCPSA-N 1 0 407.308 4.168 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430202877 858079870 /nfs/dbraw/zinc/07/98/70/858079870.db2.gz YSTBHEKYXAOEEP-LBPRGKRZSA-N 1 0 408.442 4.120 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000431164262 858480987 /nfs/dbraw/zinc/48/09/87/858480987.db2.gz UUIJDQZEXBFLAU-UHFFFAOYSA-N 1 0 420.307 4.129 20 5 HIBDRO CC(C)(NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000431794199 858815203 /nfs/dbraw/zinc/81/52/03/858815203.db2.gz JLJALVZSBCMDJV-UHFFFAOYSA-N 1 0 410.518 4.041 20 5 HIBDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CCCO1 ZINC000467554089 881375590 /nfs/dbraw/zinc/37/55/90/881375590.db2.gz NVYXZWFGBCEKPW-HXUWFJFHSA-N 1 0 400.475 4.183 20 5 HIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432914165 859427078 /nfs/dbraw/zinc/42/70/78/859427078.db2.gz CMHWJPVPMBMGEC-UHFFFAOYSA-N 1 0 404.264 4.205 20 5 HIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433174316 859554170 /nfs/dbraw/zinc/55/41/70/859554170.db2.gz MYHDGXYCIYRKMX-QFIPXVFZSA-N 1 0 403.482 4.317 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(CO)CC(c4ccccc4)C3)cs2)c1 ZINC000433176408 859555690 /nfs/dbraw/zinc/55/56/90/859555690.db2.gz BKVYCYXVJKHUCI-UHFFFAOYSA-N 1 0 409.511 4.364 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000433178950 859556417 /nfs/dbraw/zinc/55/64/17/859556417.db2.gz SIPUDTAOJIKGPX-OYHNWAKOSA-N 1 0 423.513 4.325 20 5 HIBDRO COC[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000433210012 859568107 /nfs/dbraw/zinc/56/81/07/859568107.db2.gz ZQMIFUHFDHKIJU-APWZRJJASA-N 1 0 406.866 4.324 20 5 HIBDRO COc1ccc([C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)N(C)C)cc1OC ZINC000433287856 859617524 /nfs/dbraw/zinc/61/75/24/859617524.db2.gz QACWHJBTXMZWRX-PMACEKPBSA-N 1 0 413.518 4.227 20 5 HIBDRO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434179761 860172230 /nfs/dbraw/zinc/17/22/30/860172230.db2.gz NEKVEXJAQIOJOK-UHFFFAOYSA-N 1 0 411.502 4.010 20 5 HIBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467722670 881520860 /nfs/dbraw/zinc/52/08/60/881520860.db2.gz ZAZGVUTUHAMLMR-CYBMUJFWSA-N 1 0 407.923 4.469 20 5 HIBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435032046 860607808 /nfs/dbraw/zinc/60/78/08/860607808.db2.gz CCFZCUKTTDIUTF-NWDGAFQWSA-N 1 0 423.263 4.049 20 5 HIBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435271614 860711309 /nfs/dbraw/zinc/71/13/09/860711309.db2.gz XXXCTKSRCLDGNW-HXUWFJFHSA-N 1 0 419.485 4.107 20 5 HIBDRO CCc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435381618 860778272 /nfs/dbraw/zinc/77/82/72/860778272.db2.gz VBNDCPVFEXKJJU-HXUWFJFHSA-N 1 0 419.485 4.053 20 5 HIBDRO CCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000435720704 861004540 /nfs/dbraw/zinc/00/45/40/861004540.db2.gz ZXQJEZQALRSCLG-LJQANCHMSA-N 1 0 411.502 4.120 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437913704 863290722 /nfs/dbraw/zinc/29/07/22/863290722.db2.gz HVRNQOWOHZUWQV-HDICACEKSA-N 1 0 402.539 4.027 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC000437926143 863302180 /nfs/dbraw/zinc/30/21/80/863302180.db2.gz MBKJIFLHAOMSSP-FQEVSTJZSA-N 1 0 416.547 4.413 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000437973125 863342350 /nfs/dbraw/zinc/34/23/50/863342350.db2.gz ATMXBRMFHZQNOX-KRWDZBQOSA-N 1 0 410.518 4.398 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437979256 863346935 /nfs/dbraw/zinc/34/69/35/863346935.db2.gz QUFNRNSTOYUZKR-SFHVURJKSA-N 1 0 422.529 4.494 20 5 HIBDRO CC(C)(CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000438008455 863368693 /nfs/dbraw/zinc/36/86/93/863368693.db2.gz SBTLOJJAQLQNRF-UHFFFAOYSA-N 1 0 422.529 4.106 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000438319326 863798723 /nfs/dbraw/zinc/79/87/23/863798723.db2.gz GZVSCQVWXMAILB-OAQYLSRUSA-N 1 0 400.523 4.066 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1O ZINC000438337318 863810724 /nfs/dbraw/zinc/81/07/24/863810724.db2.gz XVJMLPPYPKFNBW-QGZVFWFLSA-N 1 0 409.280 4.210 20 5 HIBDRO COc1ccc(CN2CCc3ncsc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438357447 863823230 /nfs/dbraw/zinc/82/32/30/863823230.db2.gz XJUHJTZCPRDNQO-UHFFFAOYSA-N 1 0 411.483 4.197 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccncc2OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438476788 863894177 /nfs/dbraw/zinc/89/41/77/863894177.db2.gz QGVPZUYQFJBVLN-INIZCTEOSA-N 1 0 423.469 4.437 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccccc1 ZINC000438837114 864331015 /nfs/dbraw/zinc/33/10/15/864331015.db2.gz IDTJLIZNSYSGOZ-GEALJGNFSA-N 1 0 415.877 4.085 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438953404 864425627 /nfs/dbraw/zinc/42/56/27/864425627.db2.gz OLWONKGMQGJLGS-WBVHZDCISA-N 1 0 401.894 4.197 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000438955837 864426628 /nfs/dbraw/zinc/42/66/28/864426628.db2.gz VCNFTOKIPAXPAU-OAQYLSRUSA-N 1 0 401.894 4.341 20 5 HIBDRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000467984622 881833941 /nfs/dbraw/zinc/83/39/41/881833941.db2.gz PTNYYVQXKMEMDP-HSZRJFAPSA-N 1 0 419.481 4.424 20 5 HIBDRO C[C@@H](c1ccco1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000440901366 865997611 /nfs/dbraw/zinc/99/76/11/865997611.db2.gz YRVNTQOVEPBCQS-NSHDSACASA-N 1 0 408.252 4.114 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441270514 866345920 /nfs/dbraw/zinc/34/59/20/866345920.db2.gz UTHNHAUSSAGTHC-UHFFFAOYSA-N 1 0 403.866 4.250 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295578 866369728 /nfs/dbraw/zinc/36/97/28/866369728.db2.gz KQKJDMRWQXMKIQ-VIZSFHNOSA-N 1 0 423.513 4.332 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000468130574 881974297 /nfs/dbraw/zinc/97/42/97/881974297.db2.gz GYKADXNSDTWISR-UHFFFAOYSA-N 1 0 408.930 4.091 20 5 HIBDRO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000442734594 867655599 /nfs/dbraw/zinc/65/55/99/867655599.db2.gz UROIQIIAFKHOGK-KRWDZBQOSA-N 1 0 411.527 4.446 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000442787360 867676101 /nfs/dbraw/zinc/67/61/01/867676101.db2.gz YGUSELGLHIMXNZ-UHFFFAOYSA-N 1 0 409.408 4.471 20 5 HIBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443947590 868483636 /nfs/dbraw/zinc/48/36/36/868483636.db2.gz LORZTHYWSDNCST-UHFFFAOYSA-N 1 0 404.433 4.340 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000443961507 868495281 /nfs/dbraw/zinc/49/52/81/868495281.db2.gz PWTXYUNEIGCWNZ-HNAYVOBHSA-N 1 0 402.520 4.478 20 5 HIBDRO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1S(C)(=O)=O ZINC000444002929 868524190 /nfs/dbraw/zinc/52/41/90/868524190.db2.gz LQMDKWJRMYUEIF-UHFFFAOYSA-N 1 0 416.524 4.325 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000444745390 868984475 /nfs/dbraw/zinc/98/44/75/868984475.db2.gz RCRWFPXLYPIOFS-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444857823 869059866 /nfs/dbraw/zinc/05/98/66/869059866.db2.gz LVICJIKDOQXJCM-UHFFFAOYSA-N 1 0 413.521 4.452 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445004414 869159151 /nfs/dbraw/zinc/15/91/51/869159151.db2.gz GUOWPXLUCYPMFZ-IBGZPJMESA-N 1 0 411.505 4.076 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc([C@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC000445480452 869553195 /nfs/dbraw/zinc/55/31/95/869553195.db2.gz ZBAQBLGCYWGZMP-KRWDZBQOSA-N 1 0 424.404 4.412 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446105787 870053704 /nfs/dbraw/zinc/05/37/04/870053704.db2.gz VKKZIEBIFVQNLL-UHFFFAOYSA-N 1 0 419.909 4.207 20 5 HIBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cc1OC ZINC000446834263 870751424 /nfs/dbraw/zinc/75/14/24/870751424.db2.gz JYISROIIDPBNBZ-UHFFFAOYSA-N 1 0 413.474 4.226 20 5 HIBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000446890753 870809601 /nfs/dbraw/zinc/80/96/01/870809601.db2.gz OYKSRFHJMODWDL-FQEVSTJZSA-N 1 0 403.504 4.130 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)n1 ZINC000447527354 871392997 /nfs/dbraw/zinc/39/29/97/871392997.db2.gz FQSNBHCDCINJEN-OALUTQOASA-N 1 0 411.437 4.391 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1)C1CCCC1 ZINC000447532491 871398592 /nfs/dbraw/zinc/39/85/92/871398592.db2.gz WKOOBFOSEHHVHR-VQTJNVASSA-N 1 0 411.506 4.194 20 5 HIBDRO CSc1nnc(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1CC(C)C ZINC000447536377 871399159 /nfs/dbraw/zinc/39/91/59/871399159.db2.gz MSZYWPBETJRZDC-GOSISDBHSA-N 1 0 403.552 4.164 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccnc(OCc3ccccc3)c2)n1 ZINC000447545011 871411972 /nfs/dbraw/zinc/41/19/72/871411972.db2.gz QEAFOCFRMPOHHJ-UXHICEINSA-N 1 0 407.474 4.039 20 5 HIBDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447574267 871473521 /nfs/dbraw/zinc/47/35/21/871473521.db2.gz MEPKFHQWCBJNRK-VQTJNVASSA-N 1 0 408.506 4.374 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(COCC(F)(F)F)c2)n1 ZINC000447582876 871485275 /nfs/dbraw/zinc/48/52/75/871485275.db2.gz ACIJAWJRIUPGPC-IRXDYDNUSA-N 1 0 412.412 4.144 20 5 HIBDRO C[NH+](C)Cc1cc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])ccc1F ZINC000447679093 871612110 /nfs/dbraw/zinc/61/21/10/871612110.db2.gz MRVZCJHORJPZCP-UHFFFAOYSA-N 1 0 422.329 4.457 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[NH+](C2CCCCC2)CC1 ZINC000447686450 871618656 /nfs/dbraw/zinc/61/86/56/871618656.db2.gz QLYHFWSLLQHMER-UHFFFAOYSA-N 1 0 408.371 4.099 20 5 HIBDRO C[C@H]1CCCN(c2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc2[N+](=O)[O-])C1 ZINC000447962064 871825116 /nfs/dbraw/zinc/82/51/16/871825116.db2.gz JLQYECPQVDMJGZ-AWEZNQCLSA-N 1 0 404.430 4.196 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@H](CO)[C@@H]3CCCO3)cc2[N+](=O)[O-])c1 ZINC000447983796 871835050 /nfs/dbraw/zinc/83/50/50/871835050.db2.gz UFOBIZUHTQGXSD-CTNGQTDRSA-N 1 0 414.502 4.448 20 5 HIBDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357147 872304493 /nfs/dbraw/zinc/30/44/93/872304493.db2.gz VVQVZWYJWKWQOU-ARGWCVDVSA-N 1 0 406.866 4.277 20 5 HIBDRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460344956 872962727 /nfs/dbraw/zinc/96/27/27/872962727.db2.gz DRDIVAZOJLRONA-QFIPXVFZSA-N 1 0 411.527 4.081 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000460855782 873756273 /nfs/dbraw/zinc/75/62/73/873756273.db2.gz KYHVXGZTKNZVFJ-IBGZPJMESA-N 1 0 423.435 4.355 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000468650765 882787193 /nfs/dbraw/zinc/78/71/93/882787193.db2.gz IJKBNPYQMKMCAS-BOPFTXTBSA-N 1 0 405.454 4.311 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000468652743 882787277 /nfs/dbraw/zinc/78/72/77/882787277.db2.gz KBTPVYVIFMFHSF-JMPLCFMRSA-N 1 0 403.429 4.468 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448650 874507523 /nfs/dbraw/zinc/50/75/23/874507523.db2.gz KVYCOEQGAGSJPT-PKOBYXMFSA-N 1 0 421.522 4.404 20 5 HIBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000461470950 874527614 /nfs/dbraw/zinc/52/76/14/874527614.db2.gz KKVITTFQAKGWRH-GOSISDBHSA-N 1 0 406.486 4.108 20 5 HIBDRO CC[NH+](CC)CCOC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461964433 875088351 /nfs/dbraw/zinc/08/83/51/875088351.db2.gz KHBPUBGLOCPFER-UHFFFAOYSA-N 1 0 403.445 4.249 20 5 HIBDRO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461962394 875088547 /nfs/dbraw/zinc/08/85/47/875088547.db2.gz YYIHRCFUWFEWDI-KXBFYZLASA-N 1 0 408.424 4.446 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462617199 875729823 /nfs/dbraw/zinc/72/98/23/875729823.db2.gz NHLBDJVVWFIPRX-ZEYPLWLESA-N 1 0 409.530 4.190 20 5 HIBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1=O ZINC000462752663 875818411 /nfs/dbraw/zinc/81/84/11/875818411.db2.gz BJEVTPCUDVZUMJ-KMFMINBZSA-N 1 0 415.877 4.139 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000462752493 875818479 /nfs/dbraw/zinc/81/84/79/875818479.db2.gz AKPNUTNRVGMFFG-PKOBYXMFSA-N 1 0 401.532 4.178 20 5 HIBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000462859170 875892690 /nfs/dbraw/zinc/89/26/90/875892690.db2.gz CJPBAHQWWQZNNP-FXAWDEMLSA-N 1 0 410.518 4.322 20 5 HIBDRO COc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462873890 875904122 /nfs/dbraw/zinc/90/41/22/875904122.db2.gz JZEIMFBDBFLBTM-HXUWFJFHSA-N 1 0 400.475 4.182 20 5 HIBDRO COc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000462923060 875951452 /nfs/dbraw/zinc/95/14/52/875951452.db2.gz KCGYBRKVJQGOFS-UHFFFAOYSA-N 1 0 409.408 4.335 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462993589 876008029 /nfs/dbraw/zinc/00/80/29/876008029.db2.gz SWCWZQXXYGORQL-CEWLAPEOSA-N 1 0 401.551 4.277 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161219 876215353 /nfs/dbraw/zinc/21/53/53/876215353.db2.gz MXFZTKUMMICTHI-CZUORRHYSA-N 1 0 407.392 4.179 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000463578658 876677791 /nfs/dbraw/zinc/67/77/91/876677791.db2.gz VLOYDRMAYDYKEX-LJQANCHMSA-N 1 0 421.419 4.489 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463825717 876941716 /nfs/dbraw/zinc/94/17/16/876941716.db2.gz JKOLWDMANPZVJT-HUUCEWRRSA-N 1 0 413.440 4.340 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000463946533 877068121 /nfs/dbraw/zinc/06/81/21/877068121.db2.gz ALDOOPBLMVQTRN-UHFFFAOYSA-N 1 0 406.433 4.086 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464763669 878005804 /nfs/dbraw/zinc/00/58/04/878005804.db2.gz RIZAIKWBBQICHI-MRXNPFEDSA-N 1 0 413.499 4.007 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464886657 878184431 /nfs/dbraw/zinc/18/44/31/878184431.db2.gz BLSKBBXLULRJET-UHFFFAOYSA-N 1 0 411.433 4.211 20 5 HIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(CCc2ccccn2)CC1 ZINC000512370313 921111054 /nfs/dbraw/zinc/11/10/54/921111054.db2.gz OWYLGRZARSQYHX-UHFFFAOYSA-N 1 0 420.513 4.389 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503381933 912366149 /nfs/dbraw/zinc/36/61/49/912366149.db2.gz GGFFAGVIZGSSGJ-RNODOKPDSA-N 1 0 403.866 4.110 20 5 HIBDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000466621231 880392647 /nfs/dbraw/zinc/39/26/47/880392647.db2.gz YUYNLPKIJZRZPE-UHFFFAOYSA-N 1 0 410.396 4.039 20 5 HIBDRO C[NH+](C)C(C)(C)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466777091 880556262 /nfs/dbraw/zinc/55/62/62/880556262.db2.gz MJGCFEFIWLNRQM-UHFFFAOYSA-N 1 0 407.923 4.469 20 5 HIBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000466814696 880588928 /nfs/dbraw/zinc/58/89/28/880588928.db2.gz SCIXFUAMPHVQIU-CYBMUJFWSA-N 1 0 405.907 4.081 20 5 HIBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470127522 884389722 /nfs/dbraw/zinc/38/97/22/884389722.db2.gz COPCRSKSARJWRI-XIKOKIGWSA-N 1 0 424.835 4.341 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000470163262 884437506 /nfs/dbraw/zinc/43/75/06/884437506.db2.gz KQDVOJPSYDJRFC-LJQANCHMSA-N 1 0 401.532 4.203 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000503898722 912856261 /nfs/dbraw/zinc/85/62/61/912856261.db2.gz BFARVSZYCFMTRW-QFIPXVFZSA-N 1 0 406.486 4.496 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000503941161 912874904 /nfs/dbraw/zinc/87/49/04/912874904.db2.gz FPSVBOBMYNDZGS-UHFFFAOYSA-N 1 0 418.881 4.043 20 5 HIBDRO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000470610680 885036612 /nfs/dbraw/zinc/03/66/12/885036612.db2.gz FILCPJXYLHFKAD-GHTZIAJQSA-N 1 0 410.518 4.004 20 5 HIBDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000471038015 885547175 /nfs/dbraw/zinc/54/71/75/885547175.db2.gz IOJHSTACSUYUOU-AUSIDOKSSA-N 1 0 424.545 4.247 20 5 HIBDRO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000471547778 886256789 /nfs/dbraw/zinc/25/67/89/886256789.db2.gz OEANJURMXMKRSO-YJYMSZOUSA-N 1 0 407.923 4.148 20 5 HIBDRO CCC(O)(CC)CC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000471561639 886269909 /nfs/dbraw/zinc/26/99/09/886269909.db2.gz AJUSHMCPHBZYIA-LJQANCHMSA-N 1 0 419.909 4.459 20 5 HIBDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000471947078 886748864 /nfs/dbraw/zinc/74/88/64/886748864.db2.gz PUMYLOTZXURMAV-RDJZCZTQSA-N 1 0 408.380 4.181 20 5 HIBDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000471988154 886815287 /nfs/dbraw/zinc/81/52/87/886815287.db2.gz HIGFNPTUFQAJAJ-DENIHFKCSA-N 1 0 424.501 4.320 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472044767 886861034 /nfs/dbraw/zinc/86/10/34/886861034.db2.gz VDULZQIHGVUVEW-IBGZPJMESA-N 1 0 414.483 4.067 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000472512906 887382454 /nfs/dbraw/zinc/38/24/54/887382454.db2.gz GBDXBRUWGLTWTL-BRLLKYFNSA-N 1 0 407.470 4.227 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473156399 887936039 /nfs/dbraw/zinc/93/60/39/887936039.db2.gz CDRVCICZLDYMMM-UHFFFAOYSA-N 1 0 401.413 4.299 20 5 HIBDRO CC[C@H](NC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000473837418 888676487 /nfs/dbraw/zinc/67/64/87/888676487.db2.gz SEMCRTKGBISRPU-NRFANRHFSA-N 1 0 411.506 4.010 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCc3ccc(C(C)C)cc32)cc1[N+](=O)[O-] ZINC000474007640 888866055 /nfs/dbraw/zinc/86/60/55/888866055.db2.gz JBISZSOYPHUXOQ-FQEVSTJZSA-N 1 0 412.486 4.437 20 5 HIBDRO CC(C)c1ccc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000474235978 889080136 /nfs/dbraw/zinc/08/01/36/889080136.db2.gz WFOMEDWCSRVCNX-UHFFFAOYSA-N 1 0 411.502 4.469 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000474344513 889219560 /nfs/dbraw/zinc/21/95/60/889219560.db2.gz AVUIQVOKAVWPEA-INIZCTEOSA-N 1 0 421.453 4.059 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(-c3ccc(C)cc3)c2)cc1[N+](=O)[O-] ZINC000474355859 889233753 /nfs/dbraw/zinc/23/37/53/889233753.db2.gz TXCUBVVLZBMBOJ-UHFFFAOYSA-N 1 0 420.465 4.412 20 5 HIBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475194720 890065554 /nfs/dbraw/zinc/06/55/54/890065554.db2.gz ZGGRVBDOLAJAPV-OAHLLOKOSA-N 1 0 412.368 4.165 20 5 HIBDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccccc1 ZINC000475637695 890579223 /nfs/dbraw/zinc/57/92/23/890579223.db2.gz AOBGWXPSUYRCPA-LJQANCHMSA-N 1 0 414.506 4.043 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000475643627 890585743 /nfs/dbraw/zinc/58/57/43/890585743.db2.gz XFLWMRWZZPJGSG-UHFFFAOYSA-N 1 0 406.433 4.086 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475722990 890661792 /nfs/dbraw/zinc/66/17/92/890661792.db2.gz MIZSAVFDNDAJQR-UHFFFAOYSA-N 1 0 411.380 4.265 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000504900008 913631838 /nfs/dbraw/zinc/63/18/38/913631838.db2.gz PNSKZNJJCTUXNV-MRXNPFEDSA-N 1 0 420.469 4.492 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000504900125 913632434 /nfs/dbraw/zinc/63/24/34/913632434.db2.gz RORMWBLBXSNZNI-HTAPYJJXSA-N 1 0 413.518 4.490 20 5 HIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000477232378 892172116 /nfs/dbraw/zinc/17/21/16/892172116.db2.gz JFFZUPUAGLRJRD-BUXKBTBVSA-N 1 0 403.866 4.325 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2cccc(C)c2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504906355 913641364 /nfs/dbraw/zinc/64/13/64/913641364.db2.gz WXURVKKXJHSNOT-XMSQKQJNSA-N 1 0 413.518 4.026 20 5 HIBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000504912315 913647307 /nfs/dbraw/zinc/64/73/07/913647307.db2.gz UKADOMSZZWCBNG-GDBMZVCRSA-N 1 0 407.392 4.478 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000477589674 892662842 /nfs/dbraw/zinc/66/28/42/892662842.db2.gz JYOUWDDMQFSTQH-SFHVURJKSA-N 1 0 401.551 4.376 20 5 HIBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000477693890 892812938 /nfs/dbraw/zinc/81/29/38/892812938.db2.gz OGWBSFPTBVTUST-PZJWPPBQSA-N 1 0 423.513 4.039 20 5 HIBDRO Cc1c(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000478517363 893824708 /nfs/dbraw/zinc/82/47/08/893824708.db2.gz RDSJIFJIPCIADJ-GFCCVEGCSA-N 1 0 406.280 4.173 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000478938122 894218039 /nfs/dbraw/zinc/21/80/39/894218039.db2.gz JJVOVXZAMNOJIN-INIZCTEOSA-N 1 0 405.545 4.335 20 5 HIBDRO C[C@@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479442756 894758315 /nfs/dbraw/zinc/75/83/15/894758315.db2.gz YFTDBNBGIAJOID-ZWKOTPCHSA-N 1 0 402.539 4.342 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(=O)(=O)CC)s1 ZINC000479446741 894763573 /nfs/dbraw/zinc/76/35/73/894763573.db2.gz OIDYMKWLIIAMSV-CYBMUJFWSA-N 1 0 414.574 4.110 20 5 HIBDRO Cc1c(CNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479727423 895025575 /nfs/dbraw/zinc/02/55/75/895025575.db2.gz BSFJBLWAXXECDU-FXAWDEMLSA-N 1 0 410.518 4.003 20 5 HIBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000479958672 895311300 /nfs/dbraw/zinc/31/13/00/895311300.db2.gz OQLHGEHGDITTPQ-KRWDZBQOSA-N 1 0 413.543 4.468 20 5 HIBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000480055191 895402031 /nfs/dbraw/zinc/40/20/31/895402031.db2.gz FGVRSMNDLIFJNX-RXVVDRJESA-N 1 0 410.518 4.270 20 5 HIBDRO CCC[C@H]([NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000480081495 895438497 /nfs/dbraw/zinc/43/84/97/895438497.db2.gz FYPFQTKXOMLKRH-GOTSBHOMSA-N 1 0 413.518 4.108 20 5 HIBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 ZINC000505377148 914039258 /nfs/dbraw/zinc/03/92/58/914039258.db2.gz MHKMUTBUZJEOFT-UHFFFAOYSA-N 1 0 419.934 4.471 20 5 HIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481394044 896800566 /nfs/dbraw/zinc/80/05/66/896800566.db2.gz UDOJAKMVCDRBPD-BBATYDOGSA-N 1 0 412.273 4.206 20 5 HIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000481476703 896863143 /nfs/dbraw/zinc/86/31/43/896863143.db2.gz ARVWZBCOQVMFCK-VBKZILBWSA-N 1 0 405.882 4.251 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000481684570 897067605 /nfs/dbraw/zinc/06/76/05/897067605.db2.gz KOMUJYSZYQPDGV-SFHVURJKSA-N 1 0 410.518 4.088 20 5 HIBDRO NC(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)c([N+](=O)[O-])c1 ZINC000505474927 914150804 /nfs/dbraw/zinc/15/08/04/914150804.db2.gz VVVULTXDMKHBGH-UHFFFAOYSA-N 1 0 418.291 4.015 20 5 HIBDRO CCC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000482264820 897750484 /nfs/dbraw/zinc/75/04/84/897750484.db2.gz NJOCXTYUAXPAPB-FOIQADDNSA-N 1 0 405.520 4.037 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000505519355 914210174 /nfs/dbraw/zinc/21/01/74/914210174.db2.gz FHACMTCSXWUUSO-OAQYLSRUSA-N 1 0 405.564 4.291 20 5 HIBDRO CC[NH+]1CCN(c2ccccc2NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000482546441 898135148 /nfs/dbraw/zinc/13/51/48/898135148.db2.gz CGFZOHGMMQDUHE-UHFFFAOYSA-N 1 0 423.542 4.472 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482762958 898369336 /nfs/dbraw/zinc/36/93/36/898369336.db2.gz ZVJLPPUVZGNPGP-GHTZIAJQSA-N 1 0 424.501 4.122 20 5 HIBDRO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482793291 898400249 /nfs/dbraw/zinc/40/02/49/898400249.db2.gz RIDUBTYREWYOIY-FPOVZHCZSA-N 1 0 408.502 4.422 20 5 HIBDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)no1 ZINC000483426629 899055225 /nfs/dbraw/zinc/05/52/25/899055225.db2.gz FTEXVCSJOYJOKT-UHFFFAOYSA-N 1 0 408.458 4.341 20 5 HIBDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000483438383 899071072 /nfs/dbraw/zinc/07/10/72/899071072.db2.gz MRRQWNUUALJTQL-QGZVFWFLSA-N 1 0 415.877 4.237 20 5 HIBDRO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483593685 899244424 /nfs/dbraw/zinc/24/44/24/899244424.db2.gz ONFNTPJPEBBQAU-NFBKMPQASA-N 1 0 421.541 4.386 20 5 HIBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483596856 899247495 /nfs/dbraw/zinc/24/74/95/899247495.db2.gz WCNVLEAJQDTTSN-CTNGQTDRSA-N 1 0 418.497 4.203 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N(C)CC3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000505762877 914433119 /nfs/dbraw/zinc/43/31/19/914433119.db2.gz QLEAAJJDTAELIK-UHFFFAOYSA-N 1 0 413.543 4.468 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000484990712 900345242 /nfs/dbraw/zinc/34/52/42/900345242.db2.gz HLJFVVPWGXDTPI-QGZVFWFLSA-N 1 0 406.486 4.455 20 5 HIBDRO CC[NH+](CC)CCOC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485396915 900694035 /nfs/dbraw/zinc/69/40/35/900694035.db2.gz OOQVPEVPZNWPET-UHFFFAOYSA-N 1 0 416.497 4.123 20 5 HIBDRO COC(=O)C1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000505838993 914491776 /nfs/dbraw/zinc/49/17/76/914491776.db2.gz PSPDVGMXCQMZMK-UHFFFAOYSA-N 1 0 404.850 4.426 20 5 HIBDRO Cn1cc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485729326 900982428 /nfs/dbraw/zinc/98/24/28/900982428.db2.gz OXOGXYNEBAOSNV-SFHVURJKSA-N 1 0 404.392 4.431 20 5 HIBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000485757038 901014781 /nfs/dbraw/zinc/01/47/81/901014781.db2.gz ROQGUMVSXWYDMD-UHFFFAOYSA-N 1 0 414.531 4.019 20 5 HIBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000485826706 901072741 /nfs/dbraw/zinc/07/27/41/901072741.db2.gz YLFGIUVYLGRNFJ-IBGZPJMESA-N 1 0 423.847 4.022 20 5 HIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cc(F)cc(Br)c1 ZINC000485849669 901094385 /nfs/dbraw/zinc/09/43/85/901094385.db2.gz RPEWSRXRHZALJZ-MRXNPFEDSA-N 1 0 424.270 4.484 20 5 HIBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000486024024 901230280 /nfs/dbraw/zinc/23/02/80/901230280.db2.gz ANCCBRWENKLUGP-UHFFFAOYSA-N 1 0 417.456 4.108 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000486045410 901246029 /nfs/dbraw/zinc/24/60/29/901246029.db2.gz NLNXSUBWFNCDCM-QGZVFWFLSA-N 1 0 403.504 4.175 20 5 HIBDRO CSc1cccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225367 901408661 /nfs/dbraw/zinc/40/86/61/901408661.db2.gz MNQNYHKSPTZLHO-DYVFJYSZSA-N 1 0 405.545 4.191 20 5 HIBDRO CSc1cccc(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000486416798 901574771 /nfs/dbraw/zinc/57/47/71/901574771.db2.gz NNKOZAIVJSINOZ-HZPDHXFCSA-N 1 0 413.543 4.203 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486450960 901610476 /nfs/dbraw/zinc/61/04/76/901610476.db2.gz LRWKAVPNEYYLBY-CXAJTEIHSA-N 1 0 417.469 4.107 20 5 HIBDRO CSc1cccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000486485954 901642546 /nfs/dbraw/zinc/64/25/46/901642546.db2.gz KYKUQTXAAHLMMV-INIZCTEOSA-N 1 0 413.543 4.479 20 5 HIBDRO CC(C)([C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000486564895 901709795 /nfs/dbraw/zinc/70/97/95/901709795.db2.gz LSKWZAMLFLSEHJ-KRWDZBQOSA-N 1 0 409.458 4.280 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486822812 901876220 /nfs/dbraw/zinc/87/62/20/901876220.db2.gz OVXIZXYSBXZSMI-JTUHZDRVSA-N 1 0 419.485 4.463 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487847065 902405076 /nfs/dbraw/zinc/40/50/76/902405076.db2.gz ZLPORBVAYRGVEI-WFXMLNOXSA-N 1 0 410.518 4.174 20 5 HIBDRO C[C@@H]([NH2+][C@@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489040720 903145037 /nfs/dbraw/zinc/14/50/37/903145037.db2.gz WIZXNWATSCTONC-KUHUBIRLSA-N 1 0 403.454 4.144 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489088358 903189857 /nfs/dbraw/zinc/18/98/57/903189857.db2.gz MVDQXIBGTXHQBC-KRWDZBQOSA-N 1 0 410.518 4.355 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000489143090 903227855 /nfs/dbraw/zinc/22/78/55/903227855.db2.gz UAWRNMBGTUDKJI-QFBILLFUSA-N 1 0 400.479 4.002 20 5 HIBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000489564454 903467901 /nfs/dbraw/zinc/46/79/01/903467901.db2.gz YFFSNOOPEMUSIY-UHFFFAOYSA-N 1 0 424.545 4.224 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000489617327 903499476 /nfs/dbraw/zinc/49/94/76/903499476.db2.gz AVMIGVKEASIPHG-JOCHJYFZSA-N 1 0 408.502 4.044 20 5 HIBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489870396 903641829 /nfs/dbraw/zinc/64/18/29/903641829.db2.gz JZFZGEGJNQQPAI-FQEVSTJZSA-N 1 0 412.490 4.089 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000489886319 903652928 /nfs/dbraw/zinc/65/29/28/903652928.db2.gz LZPXVHQMKVEXJK-GOSISDBHSA-N 1 0 410.518 4.236 20 5 HIBDRO C[C@@H](OC[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451349 904017656 /nfs/dbraw/zinc/01/76/56/904017656.db2.gz GMGJRHBEABEBJX-VFNWGFHPSA-N 1 0 404.894 4.351 20 5 HIBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1OCC(F)F ZINC000492154133 904807128 /nfs/dbraw/zinc/80/71/28/904807128.db2.gz SQEZXTBCNPWPIO-UHFFFAOYSA-N 1 0 410.417 4.281 20 5 HIBDRO CCc1cc(N2CCC([NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC000493128209 905026673 /nfs/dbraw/zinc/02/66/73/905026673.db2.gz JTSKDEZXHBNLIA-DEOSSOPVSA-N 1 0 417.513 4.295 20 5 HIBDRO Cc1cc(N2CCC([NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC000493249399 905067211 /nfs/dbraw/zinc/06/72/11/905067211.db2.gz PVCMECKDAFBNRL-DEOSSOPVSA-N 1 0 417.513 4.350 20 5 HIBDRO C[NH+](C)C1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCCCC1 ZINC000493521216 905149505 /nfs/dbraw/zinc/14/95/05/905149505.db2.gz GKFFVAANJMXYDP-UHFFFAOYSA-N 1 0 411.502 4.168 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2ccccc2)c1 ZINC000493991416 905332629 /nfs/dbraw/zinc/33/26/29/905332629.db2.gz UOWOIJOXQUXTIH-KMDXXIMOSA-N 1 0 409.530 4.042 20 5 HIBDRO O=C1COc2ccccc2N1CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494005284 905346384 /nfs/dbraw/zinc/34/63/84/905346384.db2.gz XDQQMRUCXFFQFE-DEOSSOPVSA-N 1 0 417.465 4.090 20 5 HIBDRO C[C@H]1[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1Cc1ccccc1 ZINC000494059020 905396817 /nfs/dbraw/zinc/39/68/17/905396817.db2.gz HOOHEEWNTOWCOQ-HTAPYJJXSA-N 1 0 411.505 4.074 20 5 HIBDRO C[C@@H]1OCC[C@]1(C)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494251961 905578428 /nfs/dbraw/zinc/57/84/28/905578428.db2.gz UPSVDOTWLSNOTD-VIZZQPHQSA-N 1 0 403.866 4.085 20 5 HIBDRO C[C@@H]1OCC[C@@]1(C)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494251959 905578523 /nfs/dbraw/zinc/57/85/23/905578523.db2.gz UPSVDOTWLSNOTD-CYFNAFFESA-N 1 0 403.866 4.085 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494427332 905715022 /nfs/dbraw/zinc/71/50/22/905715022.db2.gz SOLSCCVHDDGSID-CABCVRRESA-N 1 0 412.519 4.305 20 5 HIBDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494452681 905735473 /nfs/dbraw/zinc/73/54/73/905735473.db2.gz OSNYNDHMTSQBCO-GFCCVEGCSA-N 1 0 411.380 4.129 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494464022 905746833 /nfs/dbraw/zinc/74/68/33/905746833.db2.gz IHRYQGRNPYTOHI-PDSMFRHLSA-N 1 0 424.284 4.348 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)cc(C(F)(F)F)c1 ZINC000494498768 905788893 /nfs/dbraw/zinc/78/88/93/905788893.db2.gz WXAWRSROAQBOIH-IBGZPJMESA-N 1 0 402.376 4.477 20 5 HIBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000494552580 905831592 /nfs/dbraw/zinc/83/15/92/905831592.db2.gz JTJDKQMJVKRODU-QGZVFWFLSA-N 1 0 416.909 4.027 20 5 HIBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000512470514 921182673 /nfs/dbraw/zinc/18/26/73/921182673.db2.gz YWTXNBBCOYIEAZ-INIZCTEOSA-N 1 0 401.532 4.452 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495181263 906290006 /nfs/dbraw/zinc/29/00/06/906290006.db2.gz PVBAVYUJMUSOMF-LJQANCHMSA-N 1 0 400.475 4.230 20 5 HIBDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)ncn1 ZINC000495272747 906350273 /nfs/dbraw/zinc/35/02/73/906350273.db2.gz OZJGFKRVIJFJDS-GOSISDBHSA-N 1 0 423.542 4.434 20 5 HIBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nnn1-c1ccc(F)cc1 ZINC000495433475 906448658 /nfs/dbraw/zinc/44/86/58/906448658.db2.gz ODQBMRNCUDLCGZ-LBPRGKRZSA-N 1 0 403.845 4.170 20 5 HIBDRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000512564529 921239955 /nfs/dbraw/zinc/23/99/55/921239955.db2.gz KURCHPUKRSUEMJ-UHFFFAOYSA-N 1 0 418.291 4.208 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[NH+](C)C)cc1 ZINC000499167882 908520575 /nfs/dbraw/zinc/52/05/75/908520575.db2.gz MYBCIXKTNAMHFC-LJQANCHMSA-N 1 0 410.499 4.059 20 5 HIBDRO Cc1cc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)on1 ZINC000512977611 921451090 /nfs/dbraw/zinc/45/10/90/921451090.db2.gz OWIOGOVIHKUDFN-UHFFFAOYSA-N 1 0 406.236 4.246 20 5 HIBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)CC1 ZINC000499896840 909018478 /nfs/dbraw/zinc/01/84/78/909018478.db2.gz KFAGLMGMFVNLJP-GOSISDBHSA-N 1 0 401.551 4.476 20 5 HIBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000500121963 909604049 /nfs/dbraw/zinc/60/40/49/909604049.db2.gz MUDWUBQYWNJWTF-UHFFFAOYSA-N 1 0 410.499 4.193 20 5 HIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500237201 909725619 /nfs/dbraw/zinc/72/56/19/909725619.db2.gz DAXGSTHYYJRHBE-UHFFFAOYSA-N 1 0 411.502 4.119 20 5 HIBDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000500534640 909913397 /nfs/dbraw/zinc/91/33/97/909913397.db2.gz OMJNXLWXUSIEKK-SAABIXHNSA-N 1 0 410.449 4.179 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000500840458 910117204 /nfs/dbraw/zinc/11/72/04/910117204.db2.gz WDFCYRGHUOSRGD-UHFFFAOYSA-N 1 0 413.440 4.342 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000501305981 910459065 /nfs/dbraw/zinc/45/90/65/910459065.db2.gz HQLIBSJHJQFEGT-LJQANCHMSA-N 1 0 421.419 4.254 20 5 HIBDRO CC[NH+](CC)[C@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])c1ccsc1 ZINC000513171091 921598073 /nfs/dbraw/zinc/59/80/73/921598073.db2.gz MCZMSDGFWFDDBG-LJQANCHMSA-N 1 0 404.536 4.290 20 5 HIBDRO COc1cc(C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccc1[N+](=O)[O-] ZINC000513173192 921599712 /nfs/dbraw/zinc/59/97/12/921599712.db2.gz JGADXSWLDDLFEV-IBGZPJMESA-N 1 0 410.392 4.114 20 5 HIBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC(CCC[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000501617839 910718842 /nfs/dbraw/zinc/71/88/42/910718842.db2.gz SVACBEWEKBDJFI-SFHVURJKSA-N 1 0 416.566 4.025 20 5 HIBDRO C[C@@H]([NH2+]CC1(c2c(F)cccc2F)CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501980018 910962082 /nfs/dbraw/zinc/96/20/82/910962082.db2.gz HUULYIWIWQQHHA-CQSZACIVSA-N 1 0 403.429 4.302 20 5 HIBDRO Cc1c(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000502322793 911300571 /nfs/dbraw/zinc/30/05/71/911300571.db2.gz ABHQPORAZAYFTI-SFHVURJKSA-N 1 0 411.506 4.135 20 5 HIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502354431 911334698 /nfs/dbraw/zinc/33/46/98/911334698.db2.gz OKQZNCGOIAWOOX-WBVHZDCISA-N 1 0 411.506 4.387 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1 ZINC000502619403 911643190 /nfs/dbraw/zinc/64/31/90/911643190.db2.gz VEAWBLUUXHUSOQ-FXAWDEMLSA-N 1 0 417.893 4.477 20 5 HIBDRO Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000506323576 914926023 /nfs/dbraw/zinc/92/60/23/914926023.db2.gz AQMNXRGWUVUMSZ-UHFFFAOYSA-N 1 0 424.545 4.350 20 5 HIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000513380667 921752985 /nfs/dbraw/zinc/75/29/85/921752985.db2.gz KGJUJPWLRGKZIT-SFHVURJKSA-N 1 0 423.307 4.008 20 5 HIBDRO Cn1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513406705 921774201 /nfs/dbraw/zinc/77/42/01/921774201.db2.gz WLQSPOBAKPXYAE-IBGZPJMESA-N 1 0 411.550 4.083 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000507089388 915864009 /nfs/dbraw/zinc/86/40/09/915864009.db2.gz STFCNZBEUKQCPO-UHFFFAOYSA-N 1 0 405.495 4.228 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507126277 915880476 /nfs/dbraw/zinc/88/04/76/915880476.db2.gz KSOSMOHMDUWCBC-UHFFFAOYSA-N 1 0 407.470 4.122 20 5 HIBDRO Cc1ccc(CNC(=O)C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000507131951 915882712 /nfs/dbraw/zinc/88/27/12/915882712.db2.gz NRAGDHYRVBBUAO-GQCTYLIASA-N 1 0 411.477 4.084 20 5 HIBDRO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507276337 916041621 /nfs/dbraw/zinc/04/16/21/916041621.db2.gz GJUCBMIMDFYPQY-UHFFFAOYSA-N 1 0 418.291 4.208 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000507443824 916212524 /nfs/dbraw/zinc/21/25/24/916212524.db2.gz YONKHGJLFWBHAW-RTBURBONSA-N 1 0 419.569 4.027 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507634853 916393938 /nfs/dbraw/zinc/39/39/38/916393938.db2.gz JOUILHXXFGZNKS-UHFFFAOYSA-N 1 0 421.501 4.187 20 5 HIBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000507928162 916803504 /nfs/dbraw/zinc/80/35/04/916803504.db2.gz BTZXXNCRYSVGBL-MRXNPFEDSA-N 1 0 401.532 4.449 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000507947560 916810593 /nfs/dbraw/zinc/81/05/93/916810593.db2.gz ZBJWRYUMRQQZGK-UHFFFAOYSA-N 1 0 418.497 4.159 20 5 HIBDRO C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000508848207 917600554 /nfs/dbraw/zinc/60/05/54/917600554.db2.gz OVIFLNOUINQRAP-SJCJKPOMSA-N 1 0 408.405 4.009 20 5 HIBDRO CC[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000509296941 917977052 /nfs/dbraw/zinc/97/70/52/917977052.db2.gz RINGTHIWEIQPTC-JOCHJYFZSA-N 1 0 424.545 4.352 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000509374441 918038394 /nfs/dbraw/zinc/03/83/94/918038394.db2.gz UVXSIIRYYXLFKQ-IBGZPJMESA-N 1 0 416.547 4.413 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000509605449 918253230 /nfs/dbraw/zinc/25/32/30/918253230.db2.gz YWTYKXBQQIIAOO-UHFFFAOYSA-N 1 0 403.910 4.401 20 5 HIBDRO CCOc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510112904 918674300 /nfs/dbraw/zinc/67/43/00/918674300.db2.gz MQZSIPOOWBVOJJ-IEBWSBKVSA-N 1 0 411.502 4.024 20 5 HIBDRO CCOC(=O)C(C)(C)C1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510122887 918682631 /nfs/dbraw/zinc/68/26/31/918682631.db2.gz DDUHCPVQFXUFRB-AWEZNQCLSA-N 1 0 416.478 4.007 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](n4ncc5ccccc54)C3)o2)c1 ZINC000510436228 918896220 /nfs/dbraw/zinc/89/62/20/918896220.db2.gz YTKHQJXSWBKHOL-IBGZPJMESA-N 1 0 403.442 4.089 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000510543401 918988535 /nfs/dbraw/zinc/98/85/35/918988535.db2.gz AUGJADCNOKGMQC-FZKQIMNGSA-N 1 0 409.408 4.343 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+](C)C ZINC000510549959 918994963 /nfs/dbraw/zinc/99/49/63/918994963.db2.gz NILMZUBTRABZOQ-XDHUDOTRSA-N 1 0 413.521 4.411 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510821534 919300816 /nfs/dbraw/zinc/30/08/16/919300816.db2.gz PJKCEMQOJGAWCJ-UHFFFAOYSA-N 1 0 422.432 4.360 20 5 HIBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000510835728 919315876 /nfs/dbraw/zinc/31/58/76/919315876.db2.gz FZMBWPPXVZQAIU-KRWDZBQOSA-N 1 0 420.416 4.155 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000510862511 919353734 /nfs/dbraw/zinc/35/37/34/919353734.db2.gz AKWATFZJGABVOR-ZIAGYGMSSA-N 1 0 414.453 4.076 20 5 HIBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[NH+](C)C ZINC000511093752 919696998 /nfs/dbraw/zinc/69/69/98/919696998.db2.gz KRDGRXBEEVYRSH-QGZVFWFLSA-N 1 0 401.532 4.452 20 5 HIBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000511103627 919710196 /nfs/dbraw/zinc/71/01/96/919710196.db2.gz CXGAEHNNKWURCF-HNNXBMFYSA-N 1 0 407.392 4.092 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511223497 919830621 /nfs/dbraw/zinc/83/06/21/919830621.db2.gz PDICFLUAFOCJNX-WBVHZDCISA-N 1 0 401.894 4.279 20 5 HIBDRO CC[N@@H+](Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)C[C@H]1CCCO1 ZINC000511495158 920106186 /nfs/dbraw/zinc/10/61/86/920106186.db2.gz NAUNYUZFPIEFPA-HXUWFJFHSA-N 1 0 400.475 4.183 20 5 HIBDRO COc1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511526130 920144558 /nfs/dbraw/zinc/14/45/58/920144558.db2.gz ZLCUTFAQQZMVTK-UHFFFAOYSA-N 1 0 422.485 4.285 20 5 HIBDRO CC(=O)NCC1CC[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000511638761 920303027 /nfs/dbraw/zinc/30/30/27/920303027.db2.gz BKAADQLSPIKXQR-UHFFFAOYSA-N 1 0 417.893 4.389 20 5 HIBDRO COc1ccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[NH+]2CCCCC2)cc1 ZINC000512042111 920812856 /nfs/dbraw/zinc/81/28/56/920812856.db2.gz SNXSFFJVRBLHMO-NRFANRHFSA-N 1 0 422.485 4.042 20 5 HIBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512232736 920986222 /nfs/dbraw/zinc/98/62/22/920986222.db2.gz DWSITNBDPQGLAW-MRXNPFEDSA-N 1 0 408.380 4.010 20 5 HIBDRO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000513497403 921847126 /nfs/dbraw/zinc/84/71/26/921847126.db2.gz WLZOOCQNWCNLFX-SFHVURJKSA-N 1 0 406.486 4.306 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000513516530 921862714 /nfs/dbraw/zinc/86/27/14/921862714.db2.gz XRLRSYFYXZIFMY-NRFANRHFSA-N 1 0 414.893 4.378 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)s2)cc1 ZINC000513682562 922004188 /nfs/dbraw/zinc/00/41/88/922004188.db2.gz ANGDUERQVWIWQG-MRXNPFEDSA-N 1 0 409.515 4.241 20 5 HIBDRO Cn1ccnc1[C@H](NCC1([NH+]2CCCCC2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000513760202 922077776 /nfs/dbraw/zinc/07/77/76/922077776.db2.gz ILTHYUYGKXCFSS-OAQYLSRUSA-N 1 0 411.550 4.196 20 5 HIBDRO CC[NH+](CC)[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513763517 922082833 /nfs/dbraw/zinc/08/28/33/922082833.db2.gz YTJQDMBIKHDSJQ-VXKWHMMOSA-N 1 0 407.518 4.090 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000513919867 922242176 /nfs/dbraw/zinc/24/21/76/922242176.db2.gz GFXVRRQRGXYBJH-OAQYLSRUSA-N 1 0 406.486 4.107 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514069018 922391801 /nfs/dbraw/zinc/39/18/01/922391801.db2.gz UENPLXNJVCPQOM-GOSISDBHSA-N 1 0 400.475 4.230 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514070483 922393600 /nfs/dbraw/zinc/39/36/00/922393600.db2.gz WTFXSGQVOJXHOR-PTUXOGIPSA-N 1 0 424.497 4.230 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000514076834 922398434 /nfs/dbraw/zinc/39/84/34/922398434.db2.gz FVRFKNFFVNBHOV-IBGZPJMESA-N 1 0 406.486 4.495 20 5 HIBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000514075273 922398862 /nfs/dbraw/zinc/39/88/62/922398862.db2.gz CJVKIBDQQYYMMQ-IRXDYDNUSA-N 1 0 410.518 4.391 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000514210458 922545991 /nfs/dbraw/zinc/54/59/91/922545991.db2.gz FTTFXBAIOKODST-UHFFFAOYSA-N 1 0 409.408 4.182 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000515385672 923075520 /nfs/dbraw/zinc/07/55/20/923075520.db2.gz DTKVWFDSDDEPIY-UHFFFAOYSA-N 1 0 404.470 4.406 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000516551660 923790963 /nfs/dbraw/zinc/79/09/63/923790963.db2.gz JITKABSPPHGKEQ-JOCHJYFZSA-N 1 0 410.518 4.209 20 5 HIBDRO C[C@H](NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccc([N+](=O)[O-])c1 ZINC000516555512 923793947 /nfs/dbraw/zinc/79/39/47/923793947.db2.gz JXEVNKOUWPSEBU-SFHVURJKSA-N 1 0 418.497 4.336 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000517454720 924201320 /nfs/dbraw/zinc/20/13/20/924201320.db2.gz GKDRENDVJYKMEB-CQSZACIVSA-N 1 0 419.934 4.471 20 5 HIBDRO C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000517500339 924232040 /nfs/dbraw/zinc/23/20/40/924232040.db2.gz PBOWNWUVLQYPAH-XMSQKQJNSA-N 1 0 410.518 4.428 20 5 HIBDRO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000517539017 924252389 /nfs/dbraw/zinc/25/23/89/924252389.db2.gz XKCJSSOSWXOGHY-UHFFFAOYSA-N 1 0 413.449 4.017 20 5 HIBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000517665427 926771243 /nfs/dbraw/zinc/77/12/43/926771243.db2.gz FUSAFLDOMMPUJP-UHFFFAOYSA-N 1 0 420.513 4.117 20 5 HIBDRO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000517709237 926807771 /nfs/dbraw/zinc/80/77/71/926807771.db2.gz IPNKBYKGZXSCKN-NRFANRHFSA-N 1 0 413.518 4.146 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCCCN2Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1O ZINC000518302836 927164239 /nfs/dbraw/zinc/16/42/39/927164239.db2.gz NOJLUTHJNDIHER-SFHVURJKSA-N 1 0 419.909 4.107 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000518522760 927326105 /nfs/dbraw/zinc/32/61/05/927326105.db2.gz MHWSKQRXWLKVGV-IBGZPJMESA-N 1 0 420.897 4.461 20 5 HIBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518710984 927449288 /nfs/dbraw/zinc/44/92/88/927449288.db2.gz LXYBCWYNIMUOBC-CQSZACIVSA-N 1 0 415.877 4.255 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518783636 927490177 /nfs/dbraw/zinc/49/01/77/927490177.db2.gz QGEVQVWDMGPPHX-UZLBHIALSA-N 1 0 400.475 4.230 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1SC ZINC000518851949 927556631 /nfs/dbraw/zinc/55/66/31/927556631.db2.gz GYGYCGSBQVJQLY-AWEZNQCLSA-N 1 0 417.531 4.185 20 5 HIBDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000520154351 928346610 /nfs/dbraw/zinc/34/66/10/928346610.db2.gz VDBZMDRDACOSRK-ZDUSSCGKSA-N 1 0 405.882 4.151 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000520237236 928404545 /nfs/dbraw/zinc/40/45/45/928404545.db2.gz YQVACOYTNFTSGY-CABCVRRESA-N 1 0 419.909 4.261 20 5 HIBDRO Cc1ccc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000520951100 928886611 /nfs/dbraw/zinc/88/66/11/928886611.db2.gz PBHVTXRAKRRNBC-FOIQADDNSA-N 1 0 421.900 4.247 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CCO3)s2)cc1 ZINC000521820894 929477252 /nfs/dbraw/zinc/47/72/52/929477252.db2.gz PUISFPLDELTTHS-OAQYLSRUSA-N 1 0 423.538 4.314 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)s1 ZINC000521937095 929575691 /nfs/dbraw/zinc/57/56/91/929575691.db2.gz RUIFSSOVDKBPQO-HNNXBMFYSA-N 1 0 412.515 4.040 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000522002138 929616177 /nfs/dbraw/zinc/61/61/77/929616177.db2.gz UQRWDYYOAVOTEU-HNNXBMFYSA-N 1 0 419.909 4.172 20 5 HIBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000524555110 929684225 /nfs/dbraw/zinc/68/42/25/929684225.db2.gz YRMLRJUXFMONGS-IBGZPJMESA-N 1 0 422.312 4.397 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000524644582 929755984 /nfs/dbraw/zinc/75/59/84/929755984.db2.gz PNSAQYOUZYHECN-SCLBCKFNSA-N 1 0 405.545 4.191 20 5 HIBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525537573 930310978 /nfs/dbraw/zinc/31/09/78/930310978.db2.gz USDMIQCWXWIPEK-KBXCAEBGSA-N 1 0 417.893 4.453 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccs1 ZINC000525556057 930324288 /nfs/dbraw/zinc/32/42/88/930324288.db2.gz QBSJAFBOUZTOGO-AUUYWEPGSA-N 1 0 407.923 4.052 20 5 HIBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000525621275 930367318 /nfs/dbraw/zinc/36/73/18/930367318.db2.gz PZURWQDXPAQXCG-DYESRHJHSA-N 1 0 410.518 4.009 20 5 HIBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000525621283 930367670 /nfs/dbraw/zinc/36/76/70/930367670.db2.gz PZURWQDXPAQXCG-UTKZUKDTSA-N 1 0 410.518 4.009 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000527289446 930627589 /nfs/dbraw/zinc/62/75/89/930627589.db2.gz YYMFMKVDDGIXFG-JLTOFOAXSA-N 1 0 403.429 4.023 20 5 HIBDRO COc1ccc(C[NH2+]C2(CCO)CCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530714226 930805739 /nfs/dbraw/zinc/80/57/39/930805739.db2.gz IVRKNPWDZBPINN-UHFFFAOYSA-N 1 0 414.502 4.357 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] ZINC000530966388 930871140 /nfs/dbraw/zinc/87/11/40/930871140.db2.gz GVLPQFXKNJQXIO-STQMWFEESA-N 1 0 406.280 4.344 20 5 HIBDRO COc1cc(C[NH2+][C@@H](CO)c2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531094580 930917800 /nfs/dbraw/zinc/91/78/00/930917800.db2.gz YQVHEGPWAGCFJA-QFIPXVFZSA-N 1 0 422.481 4.314 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)cc1C(F)(F)F ZINC000531179143 930954554 /nfs/dbraw/zinc/95/45/54/930954554.db2.gz KCWATTVIUMONJP-UHFFFAOYSA-N 1 0 409.408 4.251 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531677201 931148022 /nfs/dbraw/zinc/14/80/22/931148022.db2.gz KGHCRVGQDIFSAX-IERDGZPVSA-N 1 0 419.547 4.427 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](CC)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000531698340 931161551 /nfs/dbraw/zinc/16/15/51/931161551.db2.gz VZCLHRPGSRCKNI-JOCHJYFZSA-N 1 0 411.502 4.339 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000531759004 931186002 /nfs/dbraw/zinc/18/60/02/931186002.db2.gz AEGDQEKAGYDFDV-YRNRMSPPSA-N 1 0 422.403 4.220 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531884542 931234416 /nfs/dbraw/zinc/23/44/16/931234416.db2.gz MMPGCAKQSCGQAN-MRXNPFEDSA-N 1 0 400.475 4.087 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000532092155 931308285 /nfs/dbraw/zinc/30/82/85/931308285.db2.gz IEOBRVYNGJTZGX-IRJFHVNHSA-N 1 0 406.486 4.088 20 5 HIBDRO CCC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCc2sccc2C1 ZINC000532221817 931360124 /nfs/dbraw/zinc/36/01/24/931360124.db2.gz KLNCCOVIIFUGGP-HNAYVOBHSA-N 1 0 401.532 4.369 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000532651285 931569038 /nfs/dbraw/zinc/56/90/38/931569038.db2.gz QDFRNQQJIOYSNW-PZJWPPBQSA-N 1 0 424.545 4.217 20 5 HIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000532693980 931588940 /nfs/dbraw/zinc/58/89/40/931588940.db2.gz DVZAHYVLUJGIGN-HZPDHXFCSA-N 1 0 400.454 4.329 20 5 HIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000532693978 931589713 /nfs/dbraw/zinc/58/97/13/931589713.db2.gz DVZAHYVLUJGIGN-CVEARBPZSA-N 1 0 400.454 4.329 20 5 HIBDRO O=C(Nc1ccccc1)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532893689 931682301 /nfs/dbraw/zinc/68/23/01/931682301.db2.gz YRZFHZRYRPGMFH-UHFFFAOYSA-N 1 0 420.469 4.143 20 5 HIBDRO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533037177 931748333 /nfs/dbraw/zinc/74/83/33/931748333.db2.gz ZASDIININXRWNK-UHFFFAOYSA-N 1 0 402.882 4.031 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534240215 932359142 /nfs/dbraw/zinc/35/91/42/932359142.db2.gz QZVGZTMAOJNAEN-YWZLYKJASA-N 1 0 407.873 4.179 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534242209 932360536 /nfs/dbraw/zinc/36/05/36/932360536.db2.gz IILAWEZDOIDQRY-UGSOOPFHSA-N 1 0 406.845 4.202 20 5 HIBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534246267 932362487 /nfs/dbraw/zinc/36/24/87/932362487.db2.gz GWKFGXNROXFTQR-UHFFFAOYSA-N 1 0 408.458 4.193 20 5 HIBDRO COc1ccc(C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000534515921 932540995 /nfs/dbraw/zinc/54/09/95/932540995.db2.gz QAJJQGRBSFJCTI-UHFFFAOYSA-N 1 0 419.787 4.229 20 5 HIBDRO C[C@@](O)(C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(F)(F)F ZINC000534829554 932798042 /nfs/dbraw/zinc/79/80/42/932798042.db2.gz NXQLPAUXPYTTPP-MRXNPFEDSA-N 1 0 404.772 4.443 20 5 HIBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000535267223 933042254 /nfs/dbraw/zinc/04/22/54/933042254.db2.gz AYBMMSRQFXKLFM-FQEVSTJZSA-N 1 0 420.897 4.118 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)o2)c(Cl)c1 ZINC000535809125 933404353 /nfs/dbraw/zinc/40/43/53/933404353.db2.gz HQONBLRUHMZPNU-AWEZNQCLSA-N 1 0 401.854 4.012 20 5 HIBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537620723 938336232 /nfs/dbraw/zinc/33/62/32/938336232.db2.gz WTSSMAFRZJUNSS-IRXDYDNUSA-N 1 0 416.522 4.198 20 5 HIBDRO COc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537624069 938337080 /nfs/dbraw/zinc/33/70/80/938337080.db2.gz PLWUKIKJJSOICH-UHFFFAOYSA-N 1 0 422.485 4.285 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000537689135 938355317 /nfs/dbraw/zinc/35/53/17/938355317.db2.gz HBXCTDJFSQWEKJ-WMZHIEFXSA-N 1 0 418.497 4.448 20 5 HIBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000537734279 938365857 /nfs/dbraw/zinc/36/58/57/938365857.db2.gz GKENITHGKBVLGI-KRWDZBQOSA-N 1 0 410.518 4.287 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000537963538 938436355 /nfs/dbraw/zinc/43/63/55/938436355.db2.gz NVVQCSJVGAJPCO-HIFRSBDPSA-N 1 0 406.508 4.154 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000537963941 938437193 /nfs/dbraw/zinc/43/71/93/938437193.db2.gz AIDDNACVQCSSPF-MLGOLLRUSA-N 1 0 409.280 4.140 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000537969990 938439778 /nfs/dbraw/zinc/43/97/78/938439778.db2.gz BGHFUVGIVGGUBY-NSHDSACASA-N 1 0 412.227 4.059 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000538001497 938458080 /nfs/dbraw/zinc/45/80/80/938458080.db2.gz ALULUFBQZIALEC-INIZCTEOSA-N 1 0 422.485 4.316 20 5 HIBDRO C[C@H]([NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000538174399 938535843 /nfs/dbraw/zinc/53/58/43/938535843.db2.gz HOHNSAYGZYTCQH-SFHVURJKSA-N 1 0 403.482 4.493 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000538260133 938577543 /nfs/dbraw/zinc/57/75/43/938577543.db2.gz YAZGIARGCHRHKS-LBPRGKRZSA-N 1 0 411.380 4.302 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] ZINC000538280393 938582530 /nfs/dbraw/zinc/58/25/30/938582530.db2.gz SDYLMTVLLNTDFK-KRWDZBQOSA-N 1 0 411.502 4.192 20 5 HIBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000538728297 938694112 /nfs/dbraw/zinc/69/41/12/938694112.db2.gz KTKOGNVYVWFKIL-QWHCGFSZSA-N 1 0 409.280 4.353 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)cc1 ZINC000538734903 938696289 /nfs/dbraw/zinc/69/62/89/938696289.db2.gz LHNOLIMMYGFXAE-UHFFFAOYSA-N 1 0 406.442 4.221 20 5 HIBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538734857 938696732 /nfs/dbraw/zinc/69/67/32/938696732.db2.gz HJSOTYYDTTTXMH-OAHLLOKOSA-N 1 0 403.866 4.095 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538749961 938700969 /nfs/dbraw/zinc/70/09/69/938700969.db2.gz QGCXUJIKMRTSTO-PMACEKPBSA-N 1 0 412.486 4.041 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000538877184 938729792 /nfs/dbraw/zinc/72/97/92/938729792.db2.gz NXRXZLPRKVUBHV-UTKZUKDTSA-N 1 0 418.877 4.468 20 5 HIBDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000563488333 945203233 /nfs/dbraw/zinc/20/32/33/945203233.db2.gz QWYORAYKRHRYKF-UHFFFAOYSA-N 1 0 404.470 4.051 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1 ZINC000539080260 938797215 /nfs/dbraw/zinc/79/72/15/938797215.db2.gz SSJSVLLPZPHDJU-OAQYLSRUSA-N 1 0 418.497 4.470 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000539091103 938801071 /nfs/dbraw/zinc/80/10/71/938801071.db2.gz LCXIWRNEEIBACF-BZSNNMDCSA-N 1 0 411.502 4.003 20 5 HIBDRO Cc1ccc([C@@H](C)NCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000539103367 938803505 /nfs/dbraw/zinc/80/35/05/938803505.db2.gz ABNJJNOBBXZOOJ-MRXNPFEDSA-N 1 0 402.926 4.159 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000539256850 938828042 /nfs/dbraw/zinc/82/80/42/938828042.db2.gz IYSFHUNBZVQQNE-OAHLLOKOSA-N 1 0 413.474 4.214 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-n2cccn2)c1 ZINC000539286651 938833939 /nfs/dbraw/zinc/83/39/39/938833939.db2.gz GBCOPENEGOBRHI-KGLIPLIRSA-N 1 0 413.865 4.112 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000539423080 938858518 /nfs/dbraw/zinc/85/85/18/938858518.db2.gz BIOBFMVXCAUEAO-NRFANRHFSA-N 1 0 401.438 4.120 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)o2)c(Cl)c1 ZINC000539427921 938859168 /nfs/dbraw/zinc/85/91/68/938859168.db2.gz AEANCLNFWRRZLS-CQSZACIVSA-N 1 0 413.865 4.057 20 5 HIBDRO COc1cc(Br)c(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1OC ZINC000539504413 938869865 /nfs/dbraw/zinc/86/98/65/938869865.db2.gz JGVINOQUSINJNY-ALCCZGGFSA-N 1 0 407.264 4.178 20 5 HIBDRO Cn1cc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539600566 938886351 /nfs/dbraw/zinc/88/63/51/938886351.db2.gz KUARAHGVNGLZNY-GOSISDBHSA-N 1 0 411.893 4.017 20 5 HIBDRO Cc1cc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1Br ZINC000563573029 945220396 /nfs/dbraw/zinc/22/03/96/945220396.db2.gz LDMQKCLRKCGCBQ-UHFFFAOYSA-N 1 0 406.280 4.129 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)ccc1Oc1ccccc1Cl ZINC000539978716 939028965 /nfs/dbraw/zinc/02/89/65/939028965.db2.gz VNZUWDHLVXHBPR-KKSFZXQISA-N 1 0 418.877 4.468 20 5 HIBDRO Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)cc1 ZINC000563641547 945229662 /nfs/dbraw/zinc/22/96/62/945229662.db2.gz ISHSQCXZVKTSEN-LJQANCHMSA-N 1 0 404.470 4.184 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000540343669 939200671 /nfs/dbraw/zinc/20/06/71/939200671.db2.gz DAEJONXRQYOSJM-CYBMUJFWSA-N 1 0 406.280 4.345 20 5 HIBDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)cs1 ZINC000540350724 939202296 /nfs/dbraw/zinc/20/22/96/939202296.db2.gz CEOZAJDCURTXBU-CQSZACIVSA-N 1 0 422.510 4.267 20 5 HIBDRO CC[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000540354030 939205054 /nfs/dbraw/zinc/20/50/54/939205054.db2.gz HCJDOUMWMZEAIT-OAHLLOKOSA-N 1 0 421.400 4.235 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000540423570 939243343 /nfs/dbraw/zinc/24/33/43/939243343.db2.gz AOERRKTWFHQBRR-UHFFFAOYSA-N 1 0 403.866 4.254 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000540437513 939249352 /nfs/dbraw/zinc/24/93/52/939249352.db2.gz DHRKIBJGOFUVSU-MRXNPFEDSA-N 1 0 420.469 4.345 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000540478445 939268751 /nfs/dbraw/zinc/26/87/51/939268751.db2.gz GRSPZTAKOQTUHN-VXGBXAGGSA-N 1 0 402.451 4.330 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000540478933 939268759 /nfs/dbraw/zinc/26/87/59/939268759.db2.gz RXDKDQNLTASRHX-ZDUSSCGKSA-N 1 0 410.301 4.220 20 5 HIBDRO CC(C)OCCN1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000540610172 939319368 /nfs/dbraw/zinc/31/93/68/939319368.db2.gz OSJRDOXHIUOOGQ-UHFFFAOYSA-N 1 0 421.925 4.487 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000540760756 939363137 /nfs/dbraw/zinc/36/31/37/939363137.db2.gz PCRXRKXTXYVYHK-KRWDZBQOSA-N 1 0 405.564 4.291 20 5 HIBDRO COc1cc(C[NH+]2CCC(CCCO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000541246073 939487440 /nfs/dbraw/zinc/48/74/40/939487440.db2.gz GKURHIHAVSKODS-UHFFFAOYSA-N 1 0 414.502 4.167 20 5 HIBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCCC1 ZINC000541403448 939506500 /nfs/dbraw/zinc/50/65/00/939506500.db2.gz JGAMDQMGJSCJPS-UHFFFAOYSA-N 1 0 419.934 4.253 20 5 HIBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000541625712 939573633 /nfs/dbraw/zinc/57/36/33/939573633.db2.gz JCUWTADKZKCNKY-NQIIRXRSSA-N 1 0 406.482 4.145 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000541661555 939594160 /nfs/dbraw/zinc/59/41/60/939594160.db2.gz OSZONEJCXGAGCA-AWEZNQCLSA-N 1 0 422.510 4.267 20 5 HIBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541679637 939599047 /nfs/dbraw/zinc/59/90/47/939599047.db2.gz VMLGFNACVOYYNN-MOPGFXCFSA-N 1 0 403.548 4.234 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000541718732 939613711 /nfs/dbraw/zinc/61/37/11/939613711.db2.gz NZMNEFDFJAUPLD-GCJKJVERSA-N 1 0 423.513 4.474 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541786289 939629735 /nfs/dbraw/zinc/62/97/35/939629735.db2.gz KBSXRYCYQWZECZ-GJZGRUSLSA-N 1 0 400.454 4.012 20 5 HIBDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000541995699 939673205 /nfs/dbraw/zinc/67/32/05/939673205.db2.gz JXOGMDUPTNPXEN-UHFFFAOYSA-N 1 0 408.380 4.172 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000542036922 939694962 /nfs/dbraw/zinc/69/49/62/939694962.db2.gz TWTSWSUWCTWVBV-UHFFFAOYSA-N 1 0 416.566 4.169 20 5 HIBDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000542258605 939774278 /nfs/dbraw/zinc/77/42/78/939774278.db2.gz ZHVFSIBWODKQJU-RDTXWAMCSA-N 1 0 413.499 4.117 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000542311936 939795802 /nfs/dbraw/zinc/79/58/02/939795802.db2.gz YCNNURQJGMPNOB-UHFFFAOYSA-N 1 0 422.363 4.108 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(-c3ccccc3F)s2)cc1 ZINC000542692741 939854621 /nfs/dbraw/zinc/85/46/21/939854621.db2.gz JMJSJMIAAIUMMR-UHFFFAOYSA-N 1 0 420.487 4.026 20 5 HIBDRO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542962451 939887010 /nfs/dbraw/zinc/88/70/10/939887010.db2.gz QJNMSYOOXYDCDJ-VQIMIIECSA-N 1 0 412.490 4.120 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H](C)c1ccccc1 ZINC000543469035 940074386 /nfs/dbraw/zinc/07/43/86/940074386.db2.gz HBVVEEAUHQESAZ-CABCVRRESA-N 1 0 410.499 4.439 20 5 HIBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580789 940117890 /nfs/dbraw/zinc/11/78/90/940117890.db2.gz FJNWHOUTFLGMEK-KUHUBIRLSA-N 1 0 403.548 4.090 20 5 HIBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580786 940118013 /nfs/dbraw/zinc/11/80/13/940118013.db2.gz FJNWHOUTFLGMEK-IFXJQAMLSA-N 1 0 403.548 4.090 20 5 HIBDRO COc1cc(C[NH2+]C[C@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543621209 940135518 /nfs/dbraw/zinc/13/55/18/940135518.db2.gz JALUMZHCFSMODF-JTQLQIEISA-N 1 0 419.425 4.203 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000543620781 940135888 /nfs/dbraw/zinc/13/58/88/940135888.db2.gz MWDMPSMEPGDSST-GOSISDBHSA-N 1 0 411.506 4.135 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000543777450 940183250 /nfs/dbraw/zinc/18/32/50/940183250.db2.gz WHAZSGJUWVFDLA-JWQCQUIFSA-N 1 0 417.509 4.041 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1OC ZINC000543813533 940195173 /nfs/dbraw/zinc/19/51/73/940195173.db2.gz GPXBXTNFUMKAGU-LPHOPBHVSA-N 1 0 406.523 4.419 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc([C@@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000544931973 940526375 /nfs/dbraw/zinc/52/63/75/940526375.db2.gz YQUILLIPWASHGI-LJQANCHMSA-N 1 0 418.375 4.351 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000545227683 940557311 /nfs/dbraw/zinc/55/73/11/940557311.db2.gz NRGFDVSBAMMFRF-KRWDZBQOSA-N 1 0 411.289 4.004 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000545951005 940664215 /nfs/dbraw/zinc/66/42/15/940664215.db2.gz KEGDWUPVRVGWMJ-AWEZNQCLSA-N 1 0 400.866 4.452 20 5 HIBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC2 ZINC000546267755 940753782 /nfs/dbraw/zinc/75/37/82/940753782.db2.gz LXQPBGRMRKDSFD-UHFFFAOYSA-N 1 0 411.527 4.446 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccc(NC)c([N+](=O)[O-])c2)n1 ZINC000546299720 940770752 /nfs/dbraw/zinc/77/07/52/940770752.db2.gz NQHKXUGLDVZZPD-UHFFFAOYSA-N 1 0 411.462 4.074 20 5 HIBDRO Cc1cc(Cc2noc(-c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)n2)ccc1[N+](=O)[O-] ZINC000546558461 940852567 /nfs/dbraw/zinc/85/25/67/940852567.db2.gz UXSXRHDDXAPQRM-IRXDYDNUSA-N 1 0 422.485 4.153 20 5 HIBDRO COC(=O)CCC(C)(C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000546578166 940856931 /nfs/dbraw/zinc/85/69/31/940856931.db2.gz ITQLJTQTZXIRLN-UHFFFAOYSA-N 1 0 422.485 4.269 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)CC3)o2)c(Cl)c1 ZINC000546717866 940872256 /nfs/dbraw/zinc/87/22/56/940872256.db2.gz XRJTVXWNVUBUNC-UHFFFAOYSA-N 1 0 406.866 4.280 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547233605 941039988 /nfs/dbraw/zinc/03/99/88/941039988.db2.gz GWPLOZJWPUUTGQ-KRWDZBQOSA-N 1 0 413.493 4.135 20 5 HIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000548395183 941099631 /nfs/dbraw/zinc/09/96/31/941099631.db2.gz GFSSSDQBWBTLFH-UHFFFAOYSA-N 1 0 401.264 4.080 20 5 HIBDRO 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 941130671 /nfs/dbraw/zinc/13/06/71/941130671.db2.gz ULVRXGWEGWCBPO-OQIJWPOYSA-N 1 0 409.486 4.341 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC4(CCOCC4)[C@H]3O)o2)c(Cl)c1 ZINC000548991880 941139798 /nfs/dbraw/zinc/13/97/98/941139798.db2.gz WSBNNBJFQDRTTR-XOBRGWDASA-N 1 0 420.893 4.166 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549106200 941159653 /nfs/dbraw/zinc/15/96/53/941159653.db2.gz PFOWQYPYIQLSLS-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO Cn1cc(C[NH2+]CCc2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549551542 941199074 /nfs/dbraw/zinc/19/90/74/941199074.db2.gz VNOMDHDQHVZIEG-UHFFFAOYSA-N 1 0 415.291 4.090 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000549582225 941200328 /nfs/dbraw/zinc/20/03/28/941200328.db2.gz GEXHYSPNFOERSZ-HNNXBMFYSA-N 1 0 412.421 4.172 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000549886598 941228355 /nfs/dbraw/zinc/22/83/55/941228355.db2.gz UZNRMFXQOQVBGN-LJQANCHMSA-N 1 0 421.419 4.489 20 5 HIBDRO CC(C)(C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000550077631 941280720 /nfs/dbraw/zinc/28/07/20/941280720.db2.gz VJAQVKGUTMPGBN-UHFFFAOYSA-N 1 0 409.530 4.040 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000550140283 941288810 /nfs/dbraw/zinc/28/88/10/941288810.db2.gz BJDMPWOIMBFGPB-UHFFFAOYSA-N 1 0 422.529 4.095 20 5 HIBDRO CSc1ccc([C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)cc1 ZINC000550322741 941314699 /nfs/dbraw/zinc/31/46/99/941314699.db2.gz JOPAKYZYMMQTMC-KRWDZBQOSA-N 1 0 411.474 4.311 20 5 HIBDRO CSc1ccc([C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)cc1 ZINC000550322743 941314727 /nfs/dbraw/zinc/31/47/27/941314727.db2.gz JOPAKYZYMMQTMC-QGZVFWFLSA-N 1 0 411.474 4.311 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)cc1 ZINC000550409771 941323485 /nfs/dbraw/zinc/32/34/85/941323485.db2.gz ZKMKCNSAZQOLFB-UHFFFAOYSA-N 1 0 408.857 4.148 20 5 HIBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(CC(F)(F)F)CC1 ZINC000550713399 941357823 /nfs/dbraw/zinc/35/78/23/941357823.db2.gz DEGNGVOSJDNIJP-ZDUSSCGKSA-N 1 0 412.412 4.002 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000551211967 941428327 /nfs/dbraw/zinc/42/83/27/941428327.db2.gz OLMJRIACWRFATE-ZENOOKHLSA-N 1 0 405.296 4.209 20 5 HIBDRO Cn1ccnc1[C@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000552066489 941578379 /nfs/dbraw/zinc/57/83/79/941578379.db2.gz LMZLFSYZDUKQGJ-OAQYLSRUSA-N 1 0 423.904 4.395 20 5 HIBDRO CC(C)Oc1ccc([C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000552167596 941595984 /nfs/dbraw/zinc/59/59/84/941595984.db2.gz AYYFWVSLANKIFD-OAQYLSRUSA-N 1 0 413.518 4.079 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552911759 941802068 /nfs/dbraw/zinc/80/20/68/941802068.db2.gz OOHVFNGPGOSCCT-DGCLKSJQSA-N 1 0 413.421 4.137 20 5 HIBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000553209071 941849305 /nfs/dbraw/zinc/84/93/05/941849305.db2.gz OEWJQCRAJOFFMZ-HNNXBMFYSA-N 1 0 419.323 4.360 20 5 HIBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000553791040 941969637 /nfs/dbraw/zinc/96/96/37/941969637.db2.gz QOARXFOHTNBPOW-IERDGZPVSA-N 1 0 411.527 4.445 20 5 HIBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[NH+](C)C)cc1 ZINC000554015218 942019511 /nfs/dbraw/zinc/01/95/11/942019511.db2.gz RWRRXUFADWIUDV-IBGZPJMESA-N 1 0 411.458 4.161 20 5 HIBDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000554883652 942306867 /nfs/dbraw/zinc/30/68/67/942306867.db2.gz WKIUVCGMCZNTJI-UHFFFAOYSA-N 1 0 424.501 4.361 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000555010407 942354671 /nfs/dbraw/zinc/35/46/71/942354671.db2.gz ARRZXOVRKNDNJR-UGKGYDQZSA-N 1 0 423.513 4.120 20 5 HIBDRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556242057 942825233 /nfs/dbraw/zinc/82/52/33/942825233.db2.gz QSCQLVRDSZDKJM-KBJGYGKASA-N 1 0 411.477 4.453 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000556615399 942917370 /nfs/dbraw/zinc/91/73/70/942917370.db2.gz WOTMBYNSFSUPKW-ZFWWWQNUSA-N 1 0 407.392 4.006 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000556870233 942945498 /nfs/dbraw/zinc/94/54/98/942945498.db2.gz FGEMCOIUPRCRSN-DYESRHJHSA-N 1 0 407.518 4.137 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccncc2OCc2ccccc2)n1 ZINC000556912363 942963355 /nfs/dbraw/zinc/96/33/55/942963355.db2.gz RHPLADUMQUGOIA-WOJBJXKFSA-N 1 0 407.474 4.039 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000557624012 943236463 /nfs/dbraw/zinc/23/64/63/943236463.db2.gz ALCPJCCAEZDMAL-ZBEGNZNMSA-N 1 0 421.885 4.497 20 5 HIBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000558040247 943365058 /nfs/dbraw/zinc/36/50/58/943365058.db2.gz NMPZVWTVAURURO-QFIPXVFZSA-N 1 0 424.545 4.079 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)cc1SC ZINC000558266242 943468719 /nfs/dbraw/zinc/46/87/19/943468719.db2.gz CKYNPCVRECCTEH-UHFFFAOYSA-N 1 0 409.552 4.052 20 5 HIBDRO Cc1c(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000558609324 943617071 /nfs/dbraw/zinc/61/70/71/943617071.db2.gz CPJXADAZYXVBCV-FQEVSTJZSA-N 1 0 410.518 4.005 20 5 HIBDRO CCN1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558896247 943728845 /nfs/dbraw/zinc/72/88/45/943728845.db2.gz IRYKLWCQRREIPP-JXFKEZNVSA-N 1 0 418.856 4.454 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000558899454 943733797 /nfs/dbraw/zinc/73/37/97/943733797.db2.gz UBCALCDHBRYLDN-NQIIRXRSSA-N 1 0 405.445 4.195 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@]4(C3)CCC[N@@H+](C)C4)c([N+](=O)[O-])c2)cc1 ZINC000558950636 943768819 /nfs/dbraw/zinc/76/88/19/943768819.db2.gz FEFZPHHOGWUXTN-HSZRJFAPSA-N 1 0 408.502 4.078 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559157385 943854773 /nfs/dbraw/zinc/85/47/73/943854773.db2.gz GAKJMDMMVAYUER-STQMWFEESA-N 1 0 401.429 4.100 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000559294725 943891447 /nfs/dbraw/zinc/89/14/47/943891447.db2.gz WDPIHAAVAUYSAX-UHFFFAOYSA-N 1 0 410.301 4.071 20 5 HIBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)CC1 ZINC000559349702 943902937 /nfs/dbraw/zinc/90/29/37/943902937.db2.gz KHDILBRSRGXBMD-HNNXBMFYSA-N 1 0 413.440 4.198 20 5 HIBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000559742489 944042277 /nfs/dbraw/zinc/04/22/77/944042277.db2.gz AOOVFQSXMRRXAI-UHFFFAOYSA-N 1 0 411.380 4.196 20 5 HIBDRO CSc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000560482161 944236453 /nfs/dbraw/zinc/23/64/53/944236453.db2.gz KQGWXTXECRKOLN-OAHLLOKOSA-N 1 0 419.572 4.281 20 5 HIBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000560531013 944244987 /nfs/dbraw/zinc/24/49/87/944244987.db2.gz WEENZNPPYPMDNB-KSEOMHKRSA-N 1 0 406.486 4.175 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000560569360 944257134 /nfs/dbraw/zinc/25/71/34/944257134.db2.gz DCYZHJQWWZMDTD-NFBUACBFSA-N 1 0 412.490 4.076 20 5 HIBDRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000560901017 944366697 /nfs/dbraw/zinc/36/66/97/944366697.db2.gz SJTJAZBZFMFHMS-LBPRGKRZSA-N 1 0 409.845 4.136 20 5 HIBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764370 944787223 /nfs/dbraw/zinc/78/72/23/944787223.db2.gz JEODSCWPBROCLU-BSRJHKFKSA-N 1 0 422.529 4.009 20 5 HIBDRO C[C@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 ZINC000562116991 944950109 /nfs/dbraw/zinc/95/01/09/944950109.db2.gz MUMAOZMXKPVCQE-IBGZPJMESA-N 1 0 407.514 4.213 20 5 HIBDRO O=C1[C@@H]([NH2+][C@H](Cc2ccccc2)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000565384084 945821063 /nfs/dbraw/zinc/82/10/63/945821063.db2.gz GEBBIIKAKCBDRF-VQTJNVASSA-N 1 0 407.495 4.335 20 5 HIBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC(F)F ZINC000567436380 946340350 /nfs/dbraw/zinc/34/03/50/946340350.db2.gz YYPRMTIZANAYJI-SJORKVTESA-N 1 0 403.429 4.155 20 5 HIBDRO CC[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000567970951 946434236 /nfs/dbraw/zinc/43/42/36/946434236.db2.gz PJJPXJUBLOYBAQ-FQEVSTJZSA-N 1 0 422.485 4.205 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568565614 946601526 /nfs/dbraw/zinc/60/15/26/946601526.db2.gz WOUQNXSNMXARBH-QGZVFWFLSA-N 1 0 422.428 4.244 20 5 HIBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000570233430 947156030 /nfs/dbraw/zinc/15/60/30/947156030.db2.gz KTPLFWPBDZHPCW-UHFFFAOYSA-N 1 0 408.502 4.041 20 5 HIBDRO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570328536 947204671 /nfs/dbraw/zinc/20/46/71/947204671.db2.gz NRZVHODJBBSXLT-AZUAARDMSA-N 1 0 410.518 4.257 20 5 HIBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000570422359 947236861 /nfs/dbraw/zinc/23/68/61/947236861.db2.gz SXABXAPCTCYKPA-RISCZKNCSA-N 1 0 412.393 4.040 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)s2)cc1 ZINC000570485282 947264273 /nfs/dbraw/zinc/26/42/73/947264273.db2.gz VIUQLGRYYGVEAA-CJNGLKHVSA-N 1 0 400.422 4.316 20 5 HIBDRO O=C(CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000571248271 947567055 /nfs/dbraw/zinc/56/70/55/947567055.db2.gz ODISYEPVBZVTOZ-UHFFFAOYSA-N 1 0 412.421 4.083 20 5 HIBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000571307146 947586219 /nfs/dbraw/zinc/58/62/19/947586219.db2.gz NURMMTIAFZIFAP-QGZVFWFLSA-N 1 0 421.501 4.028 20 5 HIBDRO COc1ccc([C@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000571724135 947765964 /nfs/dbraw/zinc/76/59/64/947765964.db2.gz WSNKGGDUGTZQIR-NSHDSACASA-N 1 0 412.227 4.059 20 5 HIBDRO COc1cc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000571960679 947822515 /nfs/dbraw/zinc/82/25/15/947822515.db2.gz QKGCNLQOMLQJHL-UHFFFAOYSA-N 1 0 405.401 4.327 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288548 948146498 /nfs/dbraw/zinc/14/64/98/948146498.db2.gz UOHHFPXSMNWBKX-CXAGYDPISA-N 1 0 400.422 4.459 20 5 HIBDRO CSc1ccc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000575452963 948669804 /nfs/dbraw/zinc/66/98/04/948669804.db2.gz YRCVIINRFNEUEF-QFIPXVFZSA-N 1 0 411.527 4.055 20 5 HIBDRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000575769712 948699644 /nfs/dbraw/zinc/69/96/44/948699644.db2.gz JMQNDPHKQQTOGY-RZFNWQHOSA-N 1 0 419.529 4.060 20 5 HIBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4ccc5cccnc5c4n3)CC2)CC1 ZINC001164614822 719023815 /nfs/dbraw/zinc/02/38/15/719023815.db2.gz ZEFCLIRLBSLRJR-UHFFFAOYSA-N 1 0 418.541 4.027 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC001164626140 719102986 /nfs/dbraw/zinc/10/29/86/719102986.db2.gz IGNMGVUPKKSGDD-CVDCTZTESA-N 1 0 415.497 4.153 20 5 HIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629280 719112456 /nfs/dbraw/zinc/11/24/56/719112456.db2.gz RROKHARORBDKHE-OXJNMPFZSA-N 1 0 423.904 4.292 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC3)cs1 ZINC001164692606 719809655 /nfs/dbraw/zinc/80/96/55/719809655.db2.gz LBCODPPVNMQIPQ-UHFFFAOYSA-N 1 0 401.536 4.007 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001165027360 721810341 /nfs/dbraw/zinc/81/03/41/721810341.db2.gz UJIWKYVKKWDXPU-HMXCVIKNSA-N 1 0 417.513 4.275 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC001165027774 721818575 /nfs/dbraw/zinc/81/85/75/721818575.db2.gz VWSMHDJHBOELSB-SYYKKAFVSA-N 1 0 417.513 4.275 20 5 HIBDRO Cc1ccc(-c2nc3sccc3c(N3CCC(C[NH+](C)C)CC3)n2)cc1[N+](=O)[O-] ZINC001165045608 721949200 /nfs/dbraw/zinc/94/92/00/721949200.db2.gz SOCPYDDTNLNNNZ-UHFFFAOYSA-N 1 0 411.531 4.353 20 5 HIBDRO Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164952177 722014608 /nfs/dbraw/zinc/01/46/08/722014608.db2.gz IOIXPYIULPCMFN-UHFFFAOYSA-N 1 0 417.513 4.339 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436011112 861302035 /nfs/dbraw/zinc/30/20/35/861302035.db2.gz NURCUXQWIJUQOQ-ROUUACIJSA-N 1 0 405.542 4.169 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436374461 861716098 /nfs/dbraw/zinc/71/60/98/861716098.db2.gz WRWZEUXRZPIBIQ-UHFFFAOYSA-N 1 0 413.521 4.405 20 5 HIBDRO Cc1cccc(N2CC[NH+](CCCNc3ccc([N+](=O)[O-])c4cnccc34)CC2)c1 ZINC000025579019 847005252 /nfs/dbraw/zinc/00/52/52/847005252.db2.gz VMRXTAWUJMOSLL-UHFFFAOYSA-N 1 0 405.502 4.076 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000026227547 847107439 /nfs/dbraw/zinc/10/74/39/847107439.db2.gz NOEZQMJJUVNFPB-UHFFFAOYSA-N 1 0 409.442 4.227 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)cs2)c1 ZINC000436410741 861760740 /nfs/dbraw/zinc/76/07/40/861760740.db2.gz LANSDUXKTLYJAD-GUYCJALGSA-N 1 0 415.437 4.292 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)cs2)c1 ZINC000436410739 861760904 /nfs/dbraw/zinc/76/09/04/861760904.db2.gz LANSDUXKTLYJAD-CXAGYDPISA-N 1 0 415.437 4.292 20 5 HIBDRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000028176321 847391595 /nfs/dbraw/zinc/39/15/95/847391595.db2.gz GGJUERJKEGAAFK-UHFFFAOYSA-N 1 0 421.400 4.053 20 5 HIBDRO C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000030511165 847724720 /nfs/dbraw/zinc/72/47/20/847724720.db2.gz ZMKNCMSVEFOTEK-INIZCTEOSA-N 1 0 409.442 4.021 20 5 HIBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000031232817 847847936 /nfs/dbraw/zinc/84/79/36/847847936.db2.gz HZZJRXLTTYQKJX-CALCHBBNSA-N 1 0 410.518 4.391 20 5 HIBDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000031766347 847944304 /nfs/dbraw/zinc/94/43/04/847944304.db2.gz DAKDJKRUDGQELC-GOSISDBHSA-N 1 0 413.543 4.118 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000042635923 848335595 /nfs/dbraw/zinc/33/55/95/848335595.db2.gz BJYDMGKTEAEHHZ-JKSUJKDBSA-N 1 0 415.490 4.378 20 5 HIBDRO COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)c1 ZINC000043342921 848412724 /nfs/dbraw/zinc/41/27/24/848412724.db2.gz QTOBJKCCVPUAJT-LJQANCHMSA-N 1 0 418.881 4.215 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000044877509 848611864 /nfs/dbraw/zinc/61/18/64/848611864.db2.gz RQQIGRNRSYOWPN-OAHLLOKOSA-N 1 0 401.894 4.410 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000045820548 848735067 /nfs/dbraw/zinc/73/50/67/848735067.db2.gz ZVVSOUWXWYCEEB-NWDGAFQWSA-N 1 0 411.380 4.300 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000046816312 848941039 /nfs/dbraw/zinc/94/10/39/848941039.db2.gz NIHHZIMCTCQYFM-HNNXBMFYSA-N 1 0 401.894 4.410 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000053372008 849701434 /nfs/dbraw/zinc/70/14/34/849701434.db2.gz HSFJOFBUWZBRME-UHFFFAOYSA-N 1 0 419.934 4.365 20 5 HIBDRO CCc1cc(NC2CC[NH+](Cc3ccncc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053573761 849733643 /nfs/dbraw/zinc/73/36/43/849733643.db2.gz GZUUNBHTASYHBU-UHFFFAOYSA-N 1 0 418.501 4.086 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000055152138 849977893 /nfs/dbraw/zinc/97/78/93/849977893.db2.gz KVJHWORSORDGQR-HUUCEWRRSA-N 1 0 401.463 4.068 20 5 HIBDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056161994 850264491 /nfs/dbraw/zinc/26/44/91/850264491.db2.gz PBLSXIVIGBUHBC-LSDHHAIUSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000058876931 850948653 /nfs/dbraw/zinc/94/86/53/850948653.db2.gz GHGXHYBNWAQZKV-GOSISDBHSA-N 1 0 411.502 4.055 20 5 HIBDRO CC[NH+](CC)[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccc1 ZINC000060159932 851047186 /nfs/dbraw/zinc/04/71/86/851047186.db2.gz CXKNCQFTJOXHPV-NRFANRHFSA-N 1 0 421.501 4.054 20 5 HIBDRO O=C(CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000060482674 851115075 /nfs/dbraw/zinc/11/50/75/851115075.db2.gz MELHUBZEVVULNZ-UHFFFAOYSA-N 1 0 415.877 4.172 20 5 HIBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000060624376 851170533 /nfs/dbraw/zinc/17/05/33/851170533.db2.gz YXXAJHFDRJNLMJ-GOSISDBHSA-N 1 0 404.555 4.071 20 5 HIBDRO CCc1cc(NCc2ccc(OCC[NH+](C)C)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914607 852019945 /nfs/dbraw/zinc/01/99/45/852019945.db2.gz RWPVZVWPTBFQMM-UHFFFAOYSA-N 1 0 421.501 4.167 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000065121948 852072148 /nfs/dbraw/zinc/07/21/48/852072148.db2.gz OHRRRFBNDOTXHM-IBGZPJMESA-N 1 0 423.435 4.355 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437177180 862370949 /nfs/dbraw/zinc/37/09/49/862370949.db2.gz RCYYKLZXDGGQEM-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000105804832 852729318 /nfs/dbraw/zinc/72/93/18/852729318.db2.gz AHKPLYGMUKRVKG-UHFFFAOYSA-N 1 0 411.502 4.155 20 5 HIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(Br)c(Br)c2)c1 ZINC000124546024 853370898 /nfs/dbraw/zinc/37/08/98/853370898.db2.gz CYUCIIDXJKYPPJ-UHFFFAOYSA-N 1 0 400.070 4.410 20 5 HIBDRO C[C@@H](NC(=O)Nc1ccccc1CN1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000139833742 853422767 /nfs/dbraw/zinc/42/27/67/853422767.db2.gz RKKOYYHVYPGKRV-OAHLLOKOSA-N 1 0 400.504 4.026 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000147708830 853593089 /nfs/dbraw/zinc/59/30/89/853593089.db2.gz KQPFTYQIWCPDCP-ZDUSSCGKSA-N 1 0 408.911 4.343 20 5 HIBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000150248112 853641780 /nfs/dbraw/zinc/64/17/80/853641780.db2.gz VDFDEFZGIDFYQF-FQEVSTJZSA-N 1 0 413.474 4.086 20 5 HIBDRO CC1CC[NH+]([C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c2ccccc2)CC1 ZINC000195594062 853703448 /nfs/dbraw/zinc/70/34/48/853703448.db2.gz VJYDWDFXLANXBK-QFIPXVFZSA-N 1 0 408.502 4.365 20 5 HIBDRO O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(C[NH+]4CCCCCC4)cc3)cc2N1 ZINC000195732215 853783766 /nfs/dbraw/zinc/78/37/66/853783766.db2.gz CKBXYMHNNPLBGK-UHFFFAOYSA-N 1 0 408.502 4.468 20 5 HIBDRO COC(=O)/C=C\c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000212672862 853821572 /nfs/dbraw/zinc/82/15/72/853821572.db2.gz VRARZKKYIALEPW-CNRGFGOASA-N 1 0 401.488 4.092 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000216264602 853848448 /nfs/dbraw/zinc/84/84/48/853848448.db2.gz RSKREYYZJWZMRR-HOTGVXAUSA-N 1 0 405.520 4.037 20 5 HIBDRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000217108861 853860283 /nfs/dbraw/zinc/86/02/83/853860283.db2.gz OUDVVSHMUOEAIC-BLVKFPJESA-N 1 0 403.866 4.325 20 5 HIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000217108828 853860466 /nfs/dbraw/zinc/86/04/66/853860466.db2.gz OUDVVSHMUOEAIC-BUXKBTBVSA-N 1 0 403.866 4.325 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000236846886 853928996 /nfs/dbraw/zinc/92/89/96/853928996.db2.gz SGWHBMKANBTRRF-UHFFFAOYSA-N 1 0 402.838 4.029 20 5 HIBDRO CCCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236880875 853932135 /nfs/dbraw/zinc/93/21/35/853932135.db2.gz ACKHEWBYUYSDSJ-QFIPXVFZSA-N 1 0 410.518 4.482 20 5 HIBDRO CCC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236913491 853937091 /nfs/dbraw/zinc/93/70/91/853937091.db2.gz RZTIOZREJBZPHA-OAQYLSRUSA-N 1 0 410.518 4.400 20 5 HIBDRO COc1ncccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237124325 853967550 /nfs/dbraw/zinc/96/75/50/853967550.db2.gz NFNAZUNGMTUMMM-UHFFFAOYSA-N 1 0 415.453 4.141 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)c2cn(C)nc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237174935 853975531 /nfs/dbraw/zinc/97/55/31/853975531.db2.gz XYDKRDQLZUPGTO-HNNXBMFYSA-N 1 0 410.474 4.075 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237191287 853978523 /nfs/dbraw/zinc/97/85/23/853978523.db2.gz VAXKKGYQLMJCOH-CHWSQXEVSA-N 1 0 408.442 4.308 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237187982 853978836 /nfs/dbraw/zinc/97/88/36/853978836.db2.gz HDNJNCJWARGFFL-XZOQPEGZSA-N 1 0 414.502 4.213 20 5 HIBDRO COCc1cc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)ccc1F ZINC000237247739 853990022 /nfs/dbraw/zinc/99/00/22/853990022.db2.gz AMHOPSFLFHJEAY-UHFFFAOYSA-N 1 0 400.406 4.439 20 5 HIBDRO COc1cc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237253768 853992180 /nfs/dbraw/zinc/99/21/80/853992180.db2.gz JCWSRIWRLXLONR-DHIUTWEWSA-N 1 0 414.502 4.213 20 5 HIBDRO COc1ccccc1[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C ZINC000237272059 853995532 /nfs/dbraw/zinc/99/55/32/853995532.db2.gz CZBSLYASRDBHRI-IBGZPJMESA-N 1 0 412.515 4.119 20 5 HIBDRO COc1cccc([C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)N(C)C)c1 ZINC000237290356 853999004 /nfs/dbraw/zinc/99/90/04/853999004.db2.gz WJNTZDKNRLJECG-HXUWFJFHSA-N 1 0 412.515 4.119 20 5 HIBDRO COc1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000237401893 854023429 /nfs/dbraw/zinc/02/34/29/854023429.db2.gz NDDZWKAWJHNNNO-UHFFFAOYSA-N 1 0 412.490 4.030 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(N4CCCC4)nc3)o2)c([N+](=O)[O-])c1 ZINC000237419754 854028883 /nfs/dbraw/zinc/02/88/83/854028883.db2.gz AIVAJHRLEYABRN-UHFFFAOYSA-N 1 0 408.458 4.148 20 5 HIBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CN1C1CC1 ZINC000237494229 854045285 /nfs/dbraw/zinc/04/52/85/854045285.db2.gz OSVJLQDEMWFHJC-OLZOCXBDSA-N 1 0 420.307 4.332 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237512566 854048053 /nfs/dbraw/zinc/04/80/53/854048053.db2.gz FZNRUDZMMVCRDF-KRWDZBQOSA-N 1 0 407.518 4.214 20 5 HIBDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000237682086 854075398 /nfs/dbraw/zinc/07/53/98/854075398.db2.gz AZIGYCKMDXTWPS-UHFFFAOYSA-N 1 0 419.481 4.253 20 5 HIBDRO O=C(NCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccco1 ZINC000237773051 854093554 /nfs/dbraw/zinc/09/35/54/854093554.db2.gz AVVQYFVWXHVCBK-UHFFFAOYSA-N 1 0 415.833 4.153 20 5 HIBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000237895058 854115788 /nfs/dbraw/zinc/11/57/88/854115788.db2.gz LBVLQMNPRQWNFZ-UHFFFAOYSA-N 1 0 416.428 4.413 20 5 HIBDRO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000237914660 854119067 /nfs/dbraw/zinc/11/90/67/854119067.db2.gz RBTLMLQITCSKHD-UHFFFAOYSA-N 1 0 411.483 4.311 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933018 854121727 /nfs/dbraw/zinc/12/17/27/854121727.db2.gz YQBQCEZQIYMSRC-UHFFFAOYSA-N 1 0 420.391 4.226 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2N2CCOCC2)s1 ZINC000237960207 854126283 /nfs/dbraw/zinc/12/62/83/854126283.db2.gz LNNKJOYVMOAMSV-UHFFFAOYSA-N 1 0 409.511 4.450 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000238015135 854133613 /nfs/dbraw/zinc/13/36/13/854133613.db2.gz ZVNUZLZWIQRDCR-JTSKRJEESA-N 1 0 406.486 4.088 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000238011802 854133928 /nfs/dbraw/zinc/13/39/28/854133928.db2.gz MOTLWDPFSUDSQP-PKTZIBPZSA-N 1 0 417.513 4.164 20 5 HIBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000255959727 854231545 /nfs/dbraw/zinc/23/15/45/854231545.db2.gz HCVOOTJMEZWNQQ-KDOFPFPSSA-N 1 0 412.408 4.436 20 5 HIBDRO CC1CC[NH+]([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000301081763 854290635 /nfs/dbraw/zinc/29/06/35/854290635.db2.gz SYTQJOXXTXRMBG-SFHVURJKSA-N 1 0 413.503 4.190 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301313382 854355896 /nfs/dbraw/zinc/35/58/96/854355896.db2.gz KANWJRGWGMUKSX-SFHVURJKSA-N 1 0 422.529 4.468 20 5 HIBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301433487 854393132 /nfs/dbraw/zinc/39/31/32/854393132.db2.gz RCPQYYRUILTVLW-OXQOHEQNSA-N 1 0 416.547 4.290 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000301603457 854428126 /nfs/dbraw/zinc/42/81/26/854428126.db2.gz XDPGXEJTCLLUHV-SUMWQHHRSA-N 1 0 405.296 4.075 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301851394 854476322 /nfs/dbraw/zinc/47/63/22/854476322.db2.gz ANQSUTOPNPZIKK-ZBEGNZNMSA-N 1 0 411.325 4.309 20 5 HIBDRO Cc1cccc(NC(=O)[C@H]2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000302176204 854543462 /nfs/dbraw/zinc/54/34/62/854543462.db2.gz MYYAEPOTAPBZAF-INIZCTEOSA-N 1 0 405.458 4.010 20 5 HIBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C2)nc1 ZINC000302768686 854627860 /nfs/dbraw/zinc/62/78/60/854627860.db2.gz BHQNCABSHSDWDR-CYBMUJFWSA-N 1 0 403.364 4.248 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000302811356 854642979 /nfs/dbraw/zinc/64/29/79/854642979.db2.gz PVSQXTBZSGCIKQ-YWZLYKJASA-N 1 0 416.524 4.105 20 5 HIBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000302955794 854695125 /nfs/dbraw/zinc/69/51/25/854695125.db2.gz CZOLYYRBFDKVSW-CALCHBBNSA-N 1 0 411.502 4.011 20 5 HIBDRO O=C(NCC[NH+]1CCCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000302991751 854713217 /nfs/dbraw/zinc/71/32/17/854713217.db2.gz XMLDJHAAFPUADF-UHFFFAOYSA-N 1 0 403.866 4.256 20 5 HIBDRO Cc1cccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000303256154 854837966 /nfs/dbraw/zinc/83/79/66/854837966.db2.gz BYVPBHYKTZCTFN-UHFFFAOYSA-N 1 0 401.894 4.199 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000303273527 854845527 /nfs/dbraw/zinc/84/55/27/854845527.db2.gz RWCDZZRANBGVNG-KRWDZBQOSA-N 1 0 406.429 4.058 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303670072 855121301 /nfs/dbraw/zinc/12/13/01/855121301.db2.gz JMDHXSXCBGUASF-UHFFFAOYSA-N 1 0 413.318 4.049 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000303680514 855128485 /nfs/dbraw/zinc/12/84/85/855128485.db2.gz RQUMMTKYMQJYSA-LJQANCHMSA-N 1 0 415.515 4.031 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000409456956 855488358 /nfs/dbraw/zinc/48/83/58/855488358.db2.gz IVBHKCGQMZOUAV-HNNXBMFYSA-N 1 0 416.474 4.327 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000426033653 856061195 /nfs/dbraw/zinc/06/11/95/856061195.db2.gz FTRVJKUXJMAUCU-HDICACEKSA-N 1 0 402.539 4.027 20 5 HIBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426236377 856194423 /nfs/dbraw/zinc/19/44/23/856194423.db2.gz FZHQIYJNTIVZRT-IBGZPJMESA-N 1 0 414.531 4.167 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccsc1 ZINC000426259831 856207000 /nfs/dbraw/zinc/20/70/00/856207000.db2.gz BCMMVPAPUOQFPY-HXUWFJFHSA-N 1 0 416.547 4.413 20 5 HIBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426777525 856473315 /nfs/dbraw/zinc/47/33/15/856473315.db2.gz OBCPEXCTLFFQTB-IBGZPJMESA-N 1 0 411.502 4.120 20 5 HIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000427484940 856838651 /nfs/dbraw/zinc/83/86/51/856838651.db2.gz XTPXXZGUNXUDJH-UHFFFAOYSA-N 1 0 422.529 4.354 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCc3ccccc3)[C@@H]3CCOC3)o2)c1 ZINC000437493519 862851096 /nfs/dbraw/zinc/85/10/96/862851096.db2.gz IHVGGFCGBKWIBS-OAQYLSRUSA-N 1 0 407.470 4.126 20 5 HIBDRO CC(C)(O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000428414835 857196392 /nfs/dbraw/zinc/19/63/92/857196392.db2.gz WMXIJJAABQMGAK-UHFFFAOYSA-N 1 0 409.280 4.353 20 5 HIBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000430107074 858034167 /nfs/dbraw/zinc/03/41/67/858034167.db2.gz SRDFYUOLKCMLEH-JOCHJYFZSA-N 1 0 423.494 4.035 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000430813479 858314159 /nfs/dbraw/zinc/31/41/59/858314159.db2.gz DWQMBCWRIDLBDT-CZUORRHYSA-N 1 0 401.429 4.244 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000430829110 858321151 /nfs/dbraw/zinc/32/11/51/858321151.db2.gz XKUBQIZWQOKUGS-DENIHFKCSA-N 1 0 419.569 4.172 20 5 HIBDRO C[NH+](C)CCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000431368142 858581569 /nfs/dbraw/zinc/58/15/69/858581569.db2.gz DKCFKMZZSSHUBH-UHFFFAOYSA-N 1 0 416.909 4.027 20 5 HIBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000431506809 858648106 /nfs/dbraw/zinc/64/81/06/858648106.db2.gz JKBUDYBHZMOIRI-UHFFFAOYSA-N 1 0 409.515 4.092 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000431569667 858672878 /nfs/dbraw/zinc/67/28/78/858672878.db2.gz JACCSRNUZWBUNM-UHFFFAOYSA-N 1 0 401.429 4.102 20 5 HIBDRO CC(C)(NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000431985541 858904540 /nfs/dbraw/zinc/90/45/40/858904540.db2.gz JJIWBOMYXDZRSF-XDNSSPFJSA-N 1 0 422.529 4.325 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000432689582 859296344 /nfs/dbraw/zinc/29/63/44/859296344.db2.gz JTNSXXQKDDVIJA-UHFFFAOYSA-N 1 0 414.506 4.372 20 5 HIBDRO COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000432799454 859365921 /nfs/dbraw/zinc/36/59/21/859365921.db2.gz XRDKJSUCZLUQQC-FQEVSTJZSA-N 1 0 413.518 4.099 20 5 HIBDRO Cc1c(Br)c(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ncc1[N+](=O)[O-] ZINC000432943423 859440368 /nfs/dbraw/zinc/44/03/68/859440368.db2.gz HQAWUYMEVOHMEG-ZDUSSCGKSA-N 1 0 407.268 4.190 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433177130 859555170 /nfs/dbraw/zinc/55/51/70/859555170.db2.gz PZTKMRCLBUBDNJ-DENIHFKCSA-N 1 0 423.513 4.016 20 5 HIBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433177135 859555636 /nfs/dbraw/zinc/55/56/36/859555636.db2.gz PZTKMRCLBUBDNJ-UGKGYDQZSA-N 1 0 423.513 4.016 20 5 HIBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)C[C@@H](C)O1 ZINC000433178407 859556391 /nfs/dbraw/zinc/55/63/91/859556391.db2.gz RVXPBYOABNBYQJ-WHSLLNHNSA-N 1 0 410.518 4.116 20 5 HIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000433178947 859556685 /nfs/dbraw/zinc/55/66/85/859556685.db2.gz SIPUDTAOJIKGPX-NYHFZMIOSA-N 1 0 423.513 4.325 20 5 HIBDRO COC[C@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433201035 859564733 /nfs/dbraw/zinc/56/47/33/859564733.db2.gz UHDAKHSGQOCPJY-PKOBYXMFSA-N 1 0 406.866 4.324 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302876 859627199 /nfs/dbraw/zinc/62/71/99/859627199.db2.gz YUGIQYTYHJQOOF-HNNXBMFYSA-N 1 0 401.850 4.036 20 5 HIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433307139 859629183 /nfs/dbraw/zinc/62/91/83/859629183.db2.gz UNNPNKLJFMFWPL-XMSQKQJNSA-N 1 0 407.514 4.141 20 5 HIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433307132 859629422 /nfs/dbraw/zinc/62/94/22/859629422.db2.gz UNNPNKLJFMFWPL-GCJKJVERSA-N 1 0 407.514 4.141 20 5 HIBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433318270 859637612 /nfs/dbraw/zinc/63/76/12/859637612.db2.gz KYOWUUDUWBCELZ-HNNXBMFYSA-N 1 0 403.866 4.075 20 5 HIBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000434311616 860273489 /nfs/dbraw/zinc/27/34/89/860273489.db2.gz HRIBWVCSPCFZJT-LJQANCHMSA-N 1 0 419.485 4.107 20 5 HIBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000467722684 881521090 /nfs/dbraw/zinc/52/10/90/881521090.db2.gz ZHEIIYGAKWZOQA-AWEZNQCLSA-N 1 0 419.934 4.423 20 5 HIBDRO Cc1nc2c(n1[C@H]1CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C1)CCCC2 ZINC000434486530 860369201 /nfs/dbraw/zinc/36/92/01/860369201.db2.gz RAXNWFHORYBHNZ-IBGZPJMESA-N 1 0 421.501 4.123 20 5 HIBDRO Cc1c(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435325190 860736319 /nfs/dbraw/zinc/73/63/19/860736319.db2.gz ZBHUCPBPKRGFIQ-GFCCVEGCSA-N 1 0 413.316 4.052 20 5 HIBDRO Cc1c(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435328261 860739879 /nfs/dbraw/zinc/73/98/79/860739879.db2.gz KMDLXFWRTDOTOS-QGZVFWFLSA-N 1 0 421.295 4.090 20 5 HIBDRO COc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c([N+](=O)[O-])cc1F ZINC000467772918 881591915 /nfs/dbraw/zinc/59/19/15/881591915.db2.gz WASOUZBZNLQKMR-OAHLLOKOSA-N 1 0 403.454 4.054 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437916709 863293653 /nfs/dbraw/zinc/29/36/53/863293653.db2.gz DRENKYQWDRHUOS-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437937687 863313462 /nfs/dbraw/zinc/31/34/62/863313462.db2.gz XXASKELLSYTDPK-UHFFFAOYSA-N 1 0 410.518 4.309 20 5 HIBDRO CC(C)C1CCC([NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000438549634 863979797 /nfs/dbraw/zinc/97/97/97/863979797.db2.gz FLQHUIYRHUXQAM-UHFFFAOYSA-N 1 0 422.957 4.019 20 5 HIBDRO O=C(C[NH2+]C1(c2ccccc2)CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000438711438 864193652 /nfs/dbraw/zinc/19/36/52/864193652.db2.gz CLJSGAJQFOJHDI-UHFFFAOYSA-N 1 0 408.483 4.326 20 5 HIBDRO Cc1cc(N2CCC([NH2+]Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000438914804 864394020 /nfs/dbraw/zinc/39/40/20/864394020.db2.gz XQCZVNKRIZZDLD-UHFFFAOYSA-N 1 0 420.517 4.153 20 5 HIBDRO CC(C)c1ccc(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)cc1[N+](=O)[O-] ZINC000438926152 864405049 /nfs/dbraw/zinc/40/50/49/864405049.db2.gz BVAIQFKULLTUIV-UHFFFAOYSA-N 1 0 411.502 4.100 20 5 HIBDRO Cc1c(CC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000439048994 864499824 /nfs/dbraw/zinc/49/98/24/864499824.db2.gz GQBCPHWZOSCAQA-HXUWFJFHSA-N 1 0 401.894 4.052 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000439112043 864548592 /nfs/dbraw/zinc/54/85/92/864548592.db2.gz AWALSMYQZCGDKD-UHFFFAOYSA-N 1 0 419.934 4.400 20 5 HIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CC[C@H](O)CC1 ZINC000439771647 865095255 /nfs/dbraw/zinc/09/52/55/865095255.db2.gz UCFAHWBNNYBFBF-MQMHXKEQSA-N 1 0 409.280 4.353 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000439883902 865195086 /nfs/dbraw/zinc/19/50/86/865195086.db2.gz VGKFJGSHJGETTK-IFXJQAMLSA-N 1 0 418.519 4.260 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000439933459 865232940 /nfs/dbraw/zinc/23/29/40/865232940.db2.gz PVSSYMCZNRVTRF-INIZCTEOSA-N 1 0 404.492 4.014 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000440522212 865803665 /nfs/dbraw/zinc/80/36/65/865803665.db2.gz UMEYYBBMOWQIBD-IBGZPJMESA-N 1 0 413.543 4.058 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000440925101 866021088 /nfs/dbraw/zinc/02/10/88/866021088.db2.gz KXPCHTBPXJWUHQ-CJNGLKHVSA-N 1 0 415.877 4.396 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@]3(CO)CCCc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000441336047 866407397 /nfs/dbraw/zinc/40/73/97/866407397.db2.gz GXPLVRVFONKVQC-QHCPKHFHSA-N 1 0 408.454 4.177 20 5 HIBDRO CC1CCC([N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]2CCCO2)CC1 ZINC000441442337 866518504 /nfs/dbraw/zinc/51/85/04/866518504.db2.gz BDYWQQBJTCYTBV-KVWWFHCMSA-N 1 0 400.479 4.205 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443310527 867899558 /nfs/dbraw/zinc/89/95/58/867899558.db2.gz JQTRYXWUQJAFJM-LLVKDONJSA-N 1 0 412.309 4.407 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)n2)cc1 ZINC000443650335 868241386 /nfs/dbraw/zinc/24/13/86/868241386.db2.gz IJZNVHVQXMKPJG-CQSZACIVSA-N 1 0 423.404 4.305 20 5 HIBDRO CC(C)[NH+](CCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C(C)C ZINC000444110902 868623988 /nfs/dbraw/zinc/62/39/88/868623988.db2.gz KZIXDGHOKFLKSL-UHFFFAOYSA-N 1 0 415.484 4.198 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](COCc4ccccc4)C3)o2)c1 ZINC000444170228 868647364 /nfs/dbraw/zinc/64/73/64/868647364.db2.gz LZBDSTWCMYJMRS-LJQANCHMSA-N 1 0 407.470 4.331 20 5 HIBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000444237492 868686237 /nfs/dbraw/zinc/68/62/37/868686237.db2.gz KXFOINGIRCFRTD-UHFFFAOYSA-N 1 0 417.553 4.410 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000444740014 868983046 /nfs/dbraw/zinc/98/30/46/868983046.db2.gz WXYAJCHCRMXMEQ-RYUDHWBXSA-N 1 0 422.279 4.044 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000444742694 868984436 /nfs/dbraw/zinc/98/44/36/868984436.db2.gz WYEMGIBFJGJIIE-ZDUSSCGKSA-N 1 0 406.280 4.345 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000444743019 868984854 /nfs/dbraw/zinc/98/48/54/868984854.db2.gz KJONYOKIMNTPTR-JTQLQIEISA-N 1 0 412.671 4.300 20 5 HIBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000444747452 868985748 /nfs/dbraw/zinc/98/57/48/868985748.db2.gz ZETQLPKKAHJYNL-LBPRGKRZSA-N 1 0 420.263 4.006 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000444991802 869148158 /nfs/dbraw/zinc/14/81/58/869148158.db2.gz MSKRWJOXRQGTCW-UHFFFAOYSA-N 1 0 405.542 4.169 20 5 HIBDRO C[N@H+]1CC=C(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000468334939 882270154 /nfs/dbraw/zinc/27/01/54/882270154.db2.gz ZDFWYOAEGKGQKG-UHFFFAOYSA-N 1 0 417.918 4.391 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000446003201 869967210 /nfs/dbraw/zinc/96/72/10/869967210.db2.gz PGHXLKABJKRUHI-NVXWUHKLSA-N 1 0 407.392 4.138 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000446060772 870021320 /nfs/dbraw/zinc/02/13/20/870021320.db2.gz IXNPFRNJZHOTJN-UHFFFAOYSA-N 1 0 415.921 4.209 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)n1 ZINC000447527357 871392547 /nfs/dbraw/zinc/39/25/47/871392547.db2.gz FQSNBHCDCINJEN-RBUKOAKNSA-N 1 0 411.437 4.391 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1)c1ccccc1 ZINC000447541843 871408451 /nfs/dbraw/zinc/40/84/51/871408451.db2.gz NUPVNDQMVDMZHY-SFTDATJTSA-N 1 0 419.485 4.317 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cc3c(c(Br)c1)OCO3)CCC2 ZINC000447554322 871436027 /nfs/dbraw/zinc/43/60/27/871436027.db2.gz ZYAXELOQIUNHRS-MRXNPFEDSA-N 1 0 405.248 4.253 20 5 HIBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(OCC(F)(F)F)c1 ZINC000447584780 871489801 /nfs/dbraw/zinc/48/98/01/871489801.db2.gz HHDKCMUTWGTUER-JKSUJKDBSA-N 1 0 412.412 4.314 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCc2nc(-c3ccncc3)cs2)n1 ZINC000447583475 871490353 /nfs/dbraw/zinc/49/03/53/871490353.db2.gz BNLDHSMFGLNCMM-AEFFLSMTSA-N 1 0 412.519 4.016 20 5 HIBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1cccs1 ZINC000447675127 871608914 /nfs/dbraw/zinc/60/89/14/871608914.db2.gz KPCVXULICHOPBH-LLVKDONJSA-N 1 0 410.368 4.420 20 5 HIBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccccc1 ZINC000447693577 871629440 /nfs/dbraw/zinc/62/94/40/871629440.db2.gz NEAMWUKUUOLCBA-CYBMUJFWSA-N 1 0 404.339 4.359 20 5 HIBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000447722178 871666252 /nfs/dbraw/zinc/66/62/52/871666252.db2.gz ILJAXXKEHMXJHH-MRXNPFEDSA-N 1 0 419.865 4.041 20 5 HIBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000447799438 871737623 /nfs/dbraw/zinc/73/76/23/871737623.db2.gz INWFPSVXODOVJY-ZDUSSCGKSA-N 1 0 418.881 4.067 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448257435 872181178 /nfs/dbraw/zinc/18/11/78/872181178.db2.gz VCCVBYJMUWRTLK-WMLDXEAASA-N 1 0 421.419 4.254 20 5 HIBDRO COc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000448357289 872306558 /nfs/dbraw/zinc/30/65/58/872306558.db2.gz WGGVWVFTNPNLRF-UTKZUKDTSA-N 1 0 414.502 4.308 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000468595622 882688469 /nfs/dbraw/zinc/68/84/69/882688469.db2.gz AISLRYJBMWQYNB-HVEPWOEZSA-N 1 0 407.449 4.000 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000461100226 874017623 /nfs/dbraw/zinc/01/76/23/874017623.db2.gz ILVMJTPLORTMQM-UHFFFAOYSA-N 1 0 409.530 4.368 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000461117209 874041809 /nfs/dbraw/zinc/04/18/09/874041809.db2.gz QUVVXAZXSABCHC-UHFFFAOYSA-N 1 0 401.894 4.199 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000468652740 882787576 /nfs/dbraw/zinc/78/75/76/882787576.db2.gz KBTPVYVIFMFHSF-GSPCDJLXSA-N 1 0 403.429 4.468 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448645 874508163 /nfs/dbraw/zinc/50/81/63/874508163.db2.gz KVYCOEQGAGSJPT-HKUYNNGSSA-N 1 0 421.522 4.404 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000462549984 875673519 /nfs/dbraw/zinc/67/35/19/875673519.db2.gz MANGHQITIWXMLN-FPOVZHCZSA-N 1 0 412.486 4.230 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000462604490 875717458 /nfs/dbraw/zinc/71/74/58/875717458.db2.gz TZPGNTRLRGDDFE-NRFANRHFSA-N 1 0 424.545 4.324 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462617193 875727774 /nfs/dbraw/zinc/72/77/74/875727774.db2.gz NHLBDJVVWFIPRX-JMUQELJHSA-N 1 0 409.530 4.190 20 5 HIBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000462720348 875799025 /nfs/dbraw/zinc/79/90/25/875799025.db2.gz WYBWWJWCJVLAHE-UHFFFAOYSA-N 1 0 422.485 4.269 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462928982 875957868 /nfs/dbraw/zinc/95/78/68/875957868.db2.gz USZCKYPFIXCQJD-LJQANCHMSA-N 1 0 413.493 4.083 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000462998587 876012047 /nfs/dbraw/zinc/01/20/47/876012047.db2.gz WBTVYUVXMCTSHS-HSZRJFAPSA-N 1 0 423.557 4.331 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463281625 876339587 /nfs/dbraw/zinc/33/95/87/876339587.db2.gz VWTBFIOKUQATMD-XMSQKQJNSA-N 1 0 410.518 4.035 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463382913 876438244 /nfs/dbraw/zinc/43/82/44/876438244.db2.gz VASVNFZJASGYJC-ZIAGYGMSSA-N 1 0 401.429 4.102 20 5 HIBDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000469010360 883077389 /nfs/dbraw/zinc/07/73/89/883077389.db2.gz OASXSNBKUVCVBT-VZZQTLFRSA-N 1 0 411.502 4.131 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463817006 876930542 /nfs/dbraw/zinc/93/05/42/876930542.db2.gz VHWJKMIUTOYLEE-UHFFFAOYSA-N 1 0 401.429 4.198 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463825718 876941396 /nfs/dbraw/zinc/94/13/96/876941396.db2.gz JKOLWDMANPZVJT-LSDHHAIUSA-N 1 0 413.440 4.340 20 5 HIBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463836288 876956681 /nfs/dbraw/zinc/95/66/81/876956681.db2.gz LTKJNZZBAMRGAH-ZDUSSCGKSA-N 1 0 401.429 4.244 20 5 HIBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463836287 876957777 /nfs/dbraw/zinc/95/77/77/876957777.db2.gz LTKJNZZBAMRGAH-CYBMUJFWSA-N 1 0 401.429 4.244 20 5 HIBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463959525 877083130 /nfs/dbraw/zinc/08/31/30/877083130.db2.gz DBWQWEASAFCWGF-UHFFFAOYSA-N 1 0 404.433 4.340 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@H](CO)c3ccc(Br)cc3)o2)c1 ZINC000503243647 912223229 /nfs/dbraw/zinc/22/32/29/912223229.db2.gz IHFLGMLCTMGBFS-GOSISDBHSA-N 1 0 417.259 4.441 20 5 HIBDRO COc1cc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000464496784 877716527 /nfs/dbraw/zinc/71/65/27/877716527.db2.gz LYAVUQZPZDWTRM-UHFFFAOYSA-N 1 0 417.359 4.104 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464593981 877821470 /nfs/dbraw/zinc/82/14/70/877821470.db2.gz PGNUNMLTMJRZRK-UHFFFAOYSA-N 1 0 400.475 4.054 20 5 HIBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464768711 878010485 /nfs/dbraw/zinc/01/04/85/878010485.db2.gz YXJVXPFRCKYHDN-INIZCTEOSA-N 1 0 415.515 4.046 20 5 HIBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464830923 878087950 /nfs/dbraw/zinc/08/79/50/878087950.db2.gz BPWUICSTXCSPHR-HXUWFJFHSA-N 1 0 420.513 4.246 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000466393116 880156457 /nfs/dbraw/zinc/15/64/57/880156457.db2.gz UWVNMPPPXASOCC-AWEZNQCLSA-N 1 0 403.866 4.141 20 5 HIBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000466577261 880353287 /nfs/dbraw/zinc/35/32/87/880353287.db2.gz WVSMPQFCJDIAQI-UHFFFAOYSA-N 1 0 422.938 4.021 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370012 881142347 /nfs/dbraw/zinc/14/23/47/881142347.db2.gz NOPPZHPCECDJDQ-OPAMFIHVSA-N 1 0 400.475 4.039 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370011 881142779 /nfs/dbraw/zinc/14/27/79/881142779.db2.gz NOPPZHPCECDJDQ-KSFYIVLOSA-N 1 0 400.475 4.039 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377787 881152166 /nfs/dbraw/zinc/15/21/66/881152166.db2.gz PLLZMUOHVNHGFH-AOMKIAJQSA-N 1 0 400.475 4.039 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000469104454 883195091 /nfs/dbraw/zinc/19/50/91/883195091.db2.gz VGHLLJRQVGPSSC-MRXNPFEDSA-N 1 0 414.359 4.177 20 5 HIBDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000469274399 883373258 /nfs/dbraw/zinc/37/32/58/883373258.db2.gz WELZTDJOTXMEFY-UXHICEINSA-N 1 0 403.429 4.105 20 5 HIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000469771922 883947312 /nfs/dbraw/zinc/94/73/12/883947312.db2.gz HMOLHAFEPFFNQN-CXAGYDPISA-N 1 0 404.479 4.401 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000470177841 884461121 /nfs/dbraw/zinc/46/11/21/884461121.db2.gz UTYJDNWDODCHHH-VKAVYKQESA-N 1 0 413.543 4.131 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000470184164 884473775 /nfs/dbraw/zinc/47/37/75/884473775.db2.gz QSDNSBNMOJATCO-LVZFUZTISA-N 1 0 407.514 4.165 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503899022 912857425 /nfs/dbraw/zinc/85/74/25/912857425.db2.gz CHXYNSVIJJKQAE-QFBILLFUSA-N 1 0 400.475 4.087 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470665967 885095066 /nfs/dbraw/zinc/09/50/66/885095066.db2.gz GYBVOSAGQRLPEL-XLIONFOSSA-N 1 0 413.543 4.198 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000470832765 885323175 /nfs/dbraw/zinc/32/31/75/885323175.db2.gz SVOAFJHXPZJTFR-QGZVFWFLSA-N 1 0 411.502 4.298 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000473063473 887884747 /nfs/dbraw/zinc/88/47/47/887884747.db2.gz RRRUPOHEBYKWNQ-UHFFFAOYSA-N 1 0 413.543 4.461 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473418013 888136894 /nfs/dbraw/zinc/13/68/94/888136894.db2.gz DGKDSFDRJRLGLZ-HSZRJFAPSA-N 1 0 408.502 4.423 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473418015 888137687 /nfs/dbraw/zinc/13/76/87/888137687.db2.gz DGKDSFDRJRLGLZ-QHCPKHFHSA-N 1 0 408.502 4.423 20 5 HIBDRO Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473423171 888143578 /nfs/dbraw/zinc/14/35/78/888143578.db2.gz WVIPGUIZLHUEOH-QHCPKHFHSA-N 1 0 408.502 4.423 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473502490 888228166 /nfs/dbraw/zinc/22/81/66/888228166.db2.gz KDZNSWAVTAZXIJ-DEOSSOPVSA-N 1 0 419.481 4.469 20 5 HIBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473503253 888229870 /nfs/dbraw/zinc/22/98/70/888229870.db2.gz MLFJRNLTTSPVKA-JOCHJYFZSA-N 1 0 413.905 4.377 20 5 HIBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473509960 888239170 /nfs/dbraw/zinc/23/91/70/888239170.db2.gz SJAHQUPTDZNLIP-DEOSSOPVSA-N 1 0 418.497 4.204 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000474358743 889237551 /nfs/dbraw/zinc/23/75/51/889237551.db2.gz BIRZXVCRARTFOI-GFCCVEGCSA-N 1 0 412.364 4.016 20 5 HIBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000474570914 889445751 /nfs/dbraw/zinc/44/57/51/889445751.db2.gz VAURIHRJWBXFMJ-UHFFFAOYSA-N 1 0 416.909 4.027 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000475627343 890564458 /nfs/dbraw/zinc/56/44/58/890564458.db2.gz QVNXCLAKLQMCQL-QVKFZJNVSA-N 1 0 418.877 4.420 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000475630900 890570888 /nfs/dbraw/zinc/57/08/88/890570888.db2.gz KHUICZXEOAKDIA-HXUWFJFHSA-N 1 0 406.866 4.278 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477073328 892006756 /nfs/dbraw/zinc/00/67/56/892006756.db2.gz QBUZVAKNOFFCTL-UHFFFAOYSA-N 1 0 421.453 4.250 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2OC)N2CCCC2)cc1[N+](=O)[O-] ZINC000504888127 913620699 /nfs/dbraw/zinc/62/06/99/913620699.db2.gz NJVKKBRWGOZCAU-UTKZUKDTSA-N 1 0 413.518 4.490 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000504893820 913621713 /nfs/dbraw/zinc/62/17/13/913621713.db2.gz IGHGDTTVJUWAHR-QGZVFWFLSA-N 1 0 400.548 4.428 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000504893218 913621786 /nfs/dbraw/zinc/62/17/86/913621786.db2.gz CYXYNKQKESAAKE-UONOGXRCSA-N 1 0 404.463 4.431 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000504899142 913629714 /nfs/dbraw/zinc/62/97/14/913629714.db2.gz BGDCPLUXGYSTRM-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000504906505 913641242 /nfs/dbraw/zinc/64/12/42/913641242.db2.gz YZQILXSJKBYTIY-INIZCTEOSA-N 1 0 423.469 4.367 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504911311 913644429 /nfs/dbraw/zinc/64/44/29/913644429.db2.gz DPLRCILOLNPMGE-GHTZIAJQSA-N 1 0 413.518 4.026 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000504911104 913645425 /nfs/dbraw/zinc/64/54/25/913645425.db2.gz AMDZVPUSJNDGKK-JTSKRJEESA-N 1 0 413.518 4.490 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000504927642 913665348 /nfs/dbraw/zinc/66/53/48/913665348.db2.gz RZGDRAOEDHOVLB-KRWDZBQOSA-N 1 0 417.531 4.208 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)cc1[N+](=O)[O-] ZINC000504927170 913665597 /nfs/dbraw/zinc/66/55/97/913665597.db2.gz NLHYVQYNRPOSFH-INIZCTEOSA-N 1 0 420.469 4.492 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000504927643 913665655 /nfs/dbraw/zinc/66/56/55/913665655.db2.gz RZGDRAOEDHOVLB-QGZVFWFLSA-N 1 0 417.531 4.208 20 5 HIBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000477693889 892812996 /nfs/dbraw/zinc/81/29/96/892812996.db2.gz OGWBSFPTBVTUST-FPOVZHCZSA-N 1 0 423.513 4.039 20 5 HIBDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000477723508 892827021 /nfs/dbraw/zinc/82/70/21/892827021.db2.gz JUEZMKUXEPGYGD-PZJWPPBQSA-N 1 0 402.516 4.086 20 5 HIBDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000477723506 892827212 /nfs/dbraw/zinc/82/72/12/892827212.db2.gz JUEZMKUXEPGYGD-CTNGQTDRSA-N 1 0 402.516 4.086 20 5 HIBDRO CSc1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000478631261 893886198 /nfs/dbraw/zinc/88/61/98/893886198.db2.gz KBQQSFUFUTWAPX-INIZCTEOSA-N 1 0 405.564 4.433 20 5 HIBDRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000479400262 894702463 /nfs/dbraw/zinc/70/24/63/894702463.db2.gz XOZIUARXZFBKSL-UHFFFAOYSA-N 1 0 407.392 4.008 20 5 HIBDRO Cc1c(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000480075494 895426167 /nfs/dbraw/zinc/42/61/67/895426167.db2.gz SQOUMZHYRVHFEW-QGZVFWFLSA-N 1 0 402.539 4.089 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000480431824 895825267 /nfs/dbraw/zinc/82/52/67/895825267.db2.gz LMHZUBZTTBNGCP-CALCHBBNSA-N 1 0 406.486 4.364 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCc4cnn(C(C)C)c4C3)o2)c([N+](=O)[O-])c1 ZINC000480467150 895849503 /nfs/dbraw/zinc/84/95/03/895849503.db2.gz IJMICRDWQUELIK-INIZCTEOSA-N 1 0 410.474 4.288 20 5 HIBDRO COc1cc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc([N+](=O)[O-])c1C ZINC000480626153 895993731 /nfs/dbraw/zinc/99/37/31/895993731.db2.gz OREPNSTYHZJTAJ-UHFFFAOYSA-N 1 0 423.513 4.040 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000480696969 896058953 /nfs/dbraw/zinc/05/89/53/896058953.db2.gz JWQDAEXUIPAZHG-IAGOWNOFSA-N 1 0 422.572 4.226 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000481442741 896841499 /nfs/dbraw/zinc/84/14/99/896841499.db2.gz NLNHOLPNFGYXHL-XOBRGWDASA-N 1 0 405.882 4.251 20 5 HIBDRO COc1ccc(C2(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CCOCC2)cc1 ZINC000481550880 896917785 /nfs/dbraw/zinc/91/77/85/896917785.db2.gz XMLCGWCPKIRAMZ-QFIPXVFZSA-N 1 0 410.514 4.263 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)o2)c1 ZINC000481691917 897076615 /nfs/dbraw/zinc/07/66/15/897076615.db2.gz GQSJNKABBVIGPQ-HSZRJFAPSA-N 1 0 405.454 4.314 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000481691255 897076715 /nfs/dbraw/zinc/07/67/15/897076715.db2.gz WOUHBWPPGLICBF-QGZVFWFLSA-N 1 0 413.543 4.378 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000482038783 897455024 /nfs/dbraw/zinc/45/50/24/897455024.db2.gz ZRUGHSYGQGOHLL-AWEZNQCLSA-N 1 0 420.307 4.136 20 5 HIBDRO Cc1c([C@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000482086719 897528278 /nfs/dbraw/zinc/52/82/78/897528278.db2.gz CFDWIGQQRRGDHU-AWEZNQCLSA-N 1 0 420.307 4.136 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1SC ZINC000482156405 897619466 /nfs/dbraw/zinc/61/94/66/897619466.db2.gz VSIKVASCVSJXRR-UHFFFAOYSA-N 1 0 421.563 4.244 20 5 HIBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000482506937 898090484 /nfs/dbraw/zinc/09/04/84/898090484.db2.gz QDCYWEMYXYHMPK-UHFFFAOYSA-N 1 0 410.426 4.039 20 5 HIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000482620538 898222764 /nfs/dbraw/zinc/22/27/64/898222764.db2.gz CUBGAEIMUSHWJE-MRXNPFEDSA-N 1 0 410.518 4.453 20 5 HIBDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482952465 898581232 /nfs/dbraw/zinc/58/12/32/898581232.db2.gz BRLSKNLOTAIQIQ-MRXNPFEDSA-N 1 0 405.458 4.162 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000483185618 898846823 /nfs/dbraw/zinc/84/68/23/898846823.db2.gz WJJJVNIYNLEHSV-UHFFFAOYSA-N 1 0 401.532 4.479 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)nc2c1 ZINC000483471120 899114079 /nfs/dbraw/zinc/11/40/79/899114079.db2.gz QDOQHTAWLOIYGI-WIYYLYMNSA-N 1 0 406.486 4.223 20 5 HIBDRO Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC[C@@H]2CCOC2)c1 ZINC000484633202 900083457 /nfs/dbraw/zinc/08/34/57/900083457.db2.gz OSXAEZPCEJNYNY-XMSQKQJNSA-N 1 0 410.514 4.429 20 5 HIBDRO O=[N+]([O-])c1cnc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000484818949 900220472 /nfs/dbraw/zinc/22/04/72/900220472.db2.gz IWIQOUSLPJSFIP-UHFFFAOYSA-N 1 0 404.898 4.126 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000484961636 900324311 /nfs/dbraw/zinc/32/43/11/900324311.db2.gz UMMKFTZVZCJMGB-UHFFFAOYSA-N 1 0 417.531 4.097 20 5 HIBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000485252335 900538487 /nfs/dbraw/zinc/53/84/87/900538487.db2.gz BDDVNDKCHHUEJP-INIZCTEOSA-N 1 0 406.280 4.427 20 5 HIBDRO CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485405526 900703876 /nfs/dbraw/zinc/70/38/76/900703876.db2.gz BMCWUFIKMPNUDL-UHFFFAOYSA-N 1 0 402.470 4.097 20 5 HIBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1 ZINC000485834232 901081015 /nfs/dbraw/zinc/08/10/15/901081015.db2.gz WKAKZBXYPNPMRU-KRWDZBQOSA-N 1 0 424.270 4.200 20 5 HIBDRO CSc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000486108871 901294672 /nfs/dbraw/zinc/29/46/72/901294672.db2.gz MVSZMINHIBBTIB-UHFFFAOYSA-N 1 0 419.934 4.365 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCc1cscn1)c1ccccc1 ZINC000486749612 901828041 /nfs/dbraw/zinc/82/80/41/901828041.db2.gz XNOXGHXJWHRGKC-GOSISDBHSA-N 1 0 416.890 4.217 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[NH+](C)C ZINC000487426435 902205437 /nfs/dbraw/zinc/20/54/37/902205437.db2.gz HGBAFSVILWDBDB-VGOFRKELSA-N 1 0 418.497 4.386 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487869189 902416191 /nfs/dbraw/zinc/41/61/91/902416191.db2.gz DHYIXISSRFWQOK-SJORKVTESA-N 1 0 423.941 4.130 20 5 HIBDRO CC1(C)CC[C@H](C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 ZINC000488181773 902670078 /nfs/dbraw/zinc/67/00/78/902670078.db2.gz FWGRNHAGDYNYFZ-APWZRJJASA-N 1 0 417.893 4.475 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000489968635 903703317 /nfs/dbraw/zinc/70/33/17/903703317.db2.gz XOFFSHBBVSJORP-HNNXBMFYSA-N 1 0 400.454 4.389 20 5 HIBDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490014875 903725037 /nfs/dbraw/zinc/72/50/37/903725037.db2.gz RFARZFZFUUPOGM-LSDHHAIUSA-N 1 0 401.429 4.087 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)c2ccccc2)c1 ZINC000490179196 903812307 /nfs/dbraw/zinc/81/23/07/903812307.db2.gz WLSXESIIUSIGBT-XMMPIXPASA-N 1 0 402.498 4.333 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cc(Br)cn1 ZINC000490236973 903845314 /nfs/dbraw/zinc/84/53/14/903845314.db2.gz BQXWCQPWGNULAH-AWEZNQCLSA-N 1 0 413.341 4.104 20 5 HIBDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000506101322 914803846 /nfs/dbraw/zinc/80/38/46/914803846.db2.gz OTFWFMBUIKXWAK-UHFFFAOYSA-N 1 0 417.893 4.341 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)c2ccccc2)c1 ZINC000491309891 904529280 /nfs/dbraw/zinc/52/92/80/904529280.db2.gz ZPSKCJGTLSGLAF-GGAORHGYSA-N 1 0 423.538 4.409 20 5 HIBDRO COCC1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000491546034 904645516 /nfs/dbraw/zinc/64/55/16/904645516.db2.gz MDYLUCHPOUWJRK-UHFFFAOYSA-N 1 0 404.438 4.059 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000492752703 904897595 /nfs/dbraw/zinc/89/75/95/904897595.db2.gz XEXVJYPAWCYBRS-INIZCTEOSA-N 1 0 420.469 4.492 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000492758361 904899481 /nfs/dbraw/zinc/89/94/81/904899481.db2.gz UUMJAVBWPXJMJE-OAHLLOKOSA-N 1 0 406.442 4.102 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000512399623 921135612 /nfs/dbraw/zinc/13/56/12/921135612.db2.gz VMBDVCKGNLJNHT-UYAOXDASSA-N 1 0 410.518 4.037 20 5 HIBDRO O=C(CC(F)(F)F)N1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494005397 905346590 /nfs/dbraw/zinc/34/65/90/905346590.db2.gz YUVGEPLKSMSXKR-FQEVSTJZSA-N 1 0 421.419 4.217 20 5 HIBDRO C[C@H]1[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1Cc1ccccc1 ZINC000494059021 905397538 /nfs/dbraw/zinc/39/75/38/905397538.db2.gz HOOHEEWNTOWCOQ-JTSKRJEESA-N 1 0 411.505 4.074 20 5 HIBDRO C[C@@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494070118 905408597 /nfs/dbraw/zinc/40/85/97/905408597.db2.gz VBPJHBIAJVOUHC-CXAGYDPISA-N 1 0 407.392 4.006 20 5 HIBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000512416464 921145536 /nfs/dbraw/zinc/14/55/36/921145536.db2.gz UIPZGNRMJBHISU-INIZCTEOSA-N 1 0 401.532 4.452 20 5 HIBDRO CC(=O)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc2C1 ZINC000494443417 905729108 /nfs/dbraw/zinc/72/91/08/905729108.db2.gz BGJOZGYMDOGHSR-IBGZPJMESA-N 1 0 407.392 4.197 20 5 HIBDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531308 905815143 /nfs/dbraw/zinc/81/51/43/905815143.db2.gz ZKDKZZLXEDKPCB-LIRRHRJNSA-N 1 0 408.424 4.009 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)c2C1 ZINC000494536195 905818434 /nfs/dbraw/zinc/81/84/34/905818434.db2.gz IAWUXLUJILAGHX-UHFFFAOYSA-N 1 0 405.458 4.004 20 5 HIBDRO COc1cc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c([N+](=O)[O-])cc1OCC(F)F ZINC000494649594 905882767 /nfs/dbraw/zinc/88/27/67/905882767.db2.gz QHYFSBZTLSGSHC-UHFFFAOYSA-N 1 0 423.391 4.200 20 5 HIBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000495039082 906194616 /nfs/dbraw/zinc/19/46/16/906194616.db2.gz HNKIWDZRORHGJV-OAHLLOKOSA-N 1 0 416.909 4.027 20 5 HIBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000495080409 906228158 /nfs/dbraw/zinc/22/81/58/906228158.db2.gz QHPYZIQOLHQBQB-UHFFFAOYSA-N 1 0 411.502 4.167 20 5 HIBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000495097594 906236489 /nfs/dbraw/zinc/23/64/89/906236489.db2.gz ICHAORMQZATMSV-UHFFFAOYSA-N 1 0 423.513 4.264 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@@H+]1Cc1ccccc1 ZINC000512551202 921231182 /nfs/dbraw/zinc/23/11/82/921231182.db2.gz RWCBPOMMJZWKAO-WMZOPIPTSA-N 1 0 406.486 4.107 20 5 HIBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000497101899 906805238 /nfs/dbraw/zinc/80/52/38/906805238.db2.gz ZFYDZCPXJPCKOC-TZIWHRDSSA-N 1 0 414.502 4.165 20 5 HIBDRO Cn1cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512697708 921291084 /nfs/dbraw/zinc/29/10/84/921291084.db2.gz UPEPWYZIZHLGPL-QFIPXVFZSA-N 1 0 424.476 4.316 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497740698 907236117 /nfs/dbraw/zinc/23/61/17/907236117.db2.gz SRUZNCMLJOFEIR-KRWDZBQOSA-N 1 0 401.894 4.232 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1cccs1 ZINC000498151949 907677655 /nfs/dbraw/zinc/67/76/55/907677655.db2.gz GGAIFNTVBOMHBU-XOBRGWDASA-N 1 0 410.499 4.017 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000498350028 907852435 /nfs/dbraw/zinc/85/24/35/907852435.db2.gz OVMVFHPYXDUSGV-WMLDXEAASA-N 1 0 402.344 4.318 20 5 HIBDRO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498713428 908138792 /nfs/dbraw/zinc/13/87/92/908138792.db2.gz IPBWGCWCVATZQC-MJGOQNOKSA-N 1 0 410.518 4.040 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000499443264 908801504 /nfs/dbraw/zinc/80/15/04/908801504.db2.gz BGEHOSOCKYDWEF-UHFFFAOYSA-N 1 0 411.502 4.300 20 5 HIBDRO CCOc1ccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000499970312 909412656 /nfs/dbraw/zinc/41/26/56/909412656.db2.gz FDULEDGWLCUWEP-KRWDZBQOSA-N 1 0 411.502 4.387 20 5 HIBDRO COc1cccc(C2(F)CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000500152826 909631079 /nfs/dbraw/zinc/63/10/79/909631079.db2.gz IFBCITJFANYJDY-UHFFFAOYSA-N 1 0 415.465 4.201 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)o2)c(Cl)c1 ZINC000500221238 909713446 /nfs/dbraw/zinc/71/34/46/909713446.db2.gz JPZWEOBQYATHIS-OAHLLOKOSA-N 1 0 404.825 4.341 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC000513078718 921531621 /nfs/dbraw/zinc/53/16/21/921531621.db2.gz ZXSXQFMJSFOMFY-SFHVURJKSA-N 1 0 419.481 4.497 20 5 HIBDRO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N[C@H]1CCOc2ccccc21 ZINC000500533989 909911312 /nfs/dbraw/zinc/91/13/12/909911312.db2.gz NWFKIYNRKRPHSD-IBGZPJMESA-N 1 0 423.494 4.053 20 5 HIBDRO CC[NH+](CC)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccsc1 ZINC000513181606 921606337 /nfs/dbraw/zinc/60/63/37/921606337.db2.gz ACRFUQLRWGUFMY-IBGZPJMESA-N 1 0 402.520 4.044 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000502443633 911427954 /nfs/dbraw/zinc/42/79/54/911427954.db2.gz OLVWDPAZINFKPP-UHFFFAOYSA-N 1 0 410.499 4.186 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000502492274 911491316 /nfs/dbraw/zinc/49/13/16/911491316.db2.gz FZSPQZDEMXFMIT-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO COC1CC[NH+](C2(CNC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CCCC2)CC1 ZINC000502509320 911514420 /nfs/dbraw/zinc/51/44/20/911514420.db2.gz GNQPWOKWIMWSNE-UHFFFAOYSA-N 1 0 417.550 4.046 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1 ZINC000502619405 911644165 /nfs/dbraw/zinc/64/41/65/911644165.db2.gz VEAWBLUUXHUSOQ-XLIONFOSSA-N 1 0 417.893 4.477 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000502787259 911809489 /nfs/dbraw/zinc/80/94/89/911809489.db2.gz HEOAFLBBQPAKMU-QHGAOEGBSA-N 1 0 402.539 4.307 20 5 HIBDRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)no1 ZINC000506307294 914897434 /nfs/dbraw/zinc/89/74/34/914897434.db2.gz CXLQQQOEKGVGIT-UHFFFAOYSA-N 1 0 410.430 4.002 20 5 HIBDRO O=C(NCc1ccco1)[C@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506402254 915017989 /nfs/dbraw/zinc/01/79/89/915017989.db2.gz IRHVNTHLXWNEHI-LJQANCHMSA-N 1 0 411.483 4.197 20 5 HIBDRO Cn1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506646981 915315991 /nfs/dbraw/zinc/31/59/91/915315991.db2.gz DVJUCEUSLWRNHR-UHFFFAOYSA-N 1 0 404.470 4.090 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507177832 915922336 /nfs/dbraw/zinc/92/23/36/915922336.db2.gz HEAQVOVKTVMODI-INIZCTEOSA-N 1 0 408.458 4.141 20 5 HIBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507266693 916029831 /nfs/dbraw/zinc/02/98/31/916029831.db2.gz KDQQTNOLQJYBFM-PTSWNOGYSA-N 1 0 417.893 4.190 20 5 HIBDRO CNC(=O)C1CCC([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000507912311 916788064 /nfs/dbraw/zinc/78/80/64/916788064.db2.gz GPYRIXDEWOVEFI-UHFFFAOYSA-N 1 0 417.893 4.435 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N(C)CCC[NH+]3CCCC3)cc2[N+](=O)[O-])n1 ZINC000508400967 917193068 /nfs/dbraw/zinc/19/30/68/917193068.db2.gz JVWUCDVJCABKGO-UHFFFAOYSA-N 1 0 420.560 4.069 20 5 HIBDRO CC(C)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+]1CCC(C)CC1 ZINC000509278608 917964155 /nfs/dbraw/zinc/96/41/55/917964155.db2.gz IGEXZTJOQXIGST-NRFANRHFSA-N 1 0 404.555 4.271 20 5 HIBDRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000509355347 918019993 /nfs/dbraw/zinc/01/99/93/918019993.db2.gz CHQBWPCQJSEBLN-QQNRWZHASA-N 1 0 400.866 4.007 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccco1 ZINC000509457130 918109377 /nfs/dbraw/zinc/10/93/77/918109377.db2.gz ZHUCYNGWBGNUFM-LJQANCHMSA-N 1 0 402.495 4.191 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CC)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000509574904 918224188 /nfs/dbraw/zinc/22/41/88/918224188.db2.gz KTWDBWAZWPMSRJ-GOSISDBHSA-N 1 0 416.522 4.199 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000509780672 918392756 /nfs/dbraw/zinc/39/27/56/918392756.db2.gz DVRVUZDKFZQMOS-QZTJIDSGSA-N 1 0 404.555 4.271 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509948483 918544085 /nfs/dbraw/zinc/54/40/85/918544085.db2.gz IZEQYLDNXSHHCT-FQEVSTJZSA-N 1 0 422.485 4.083 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000510086069 918651939 /nfs/dbraw/zinc/65/19/39/918651939.db2.gz OQBWTKWAUFPSEQ-NVXWUHKLSA-N 1 0 401.894 4.279 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000510086071 918652289 /nfs/dbraw/zinc/65/22/89/918652289.db2.gz OQBWTKWAUFPSEQ-RDJZCZTQSA-N 1 0 401.894 4.279 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000510114808 918676849 /nfs/dbraw/zinc/67/68/49/918676849.db2.gz AEHSJZVASXNYLK-AEFFLSMTSA-N 1 0 415.921 4.208 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1SC ZINC000510539939 918985359 /nfs/dbraw/zinc/98/53/59/918985359.db2.gz OFTFCQZJZWOXAP-VLIAUNLRSA-N 1 0 417.531 4.055 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000510543402 918988421 /nfs/dbraw/zinc/98/84/21/918988421.db2.gz AUGJADCNOKGMQC-SCLBCKFNSA-N 1 0 409.408 4.343 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+](C)C ZINC000510556260 919000736 /nfs/dbraw/zinc/00/07/36/919000736.db2.gz XFNMAERMIDIRKL-XDHUDOTRSA-N 1 0 413.521 4.411 20 5 HIBDRO COc1cc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000510891158 919388525 /nfs/dbraw/zinc/38/85/25/919388525.db2.gz BSFJYGJSCVJCMF-IRXDYDNUSA-N 1 0 411.502 4.011 20 5 HIBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000510927842 919447030 /nfs/dbraw/zinc/44/70/30/919447030.db2.gz ILQHWECZKNGYRR-KBPBESRZSA-N 1 0 424.339 4.049 20 5 HIBDRO CC(C)CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000511056455 919651911 /nfs/dbraw/zinc/65/19/11/919651911.db2.gz MYZNTZLMWQOJQM-UHFFFAOYSA-N 1 0 424.545 4.399 20 5 HIBDRO CCc1cccc2c(C3CC[NH+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])CC3)c[nH]c21 ZINC000511111295 919722232 /nfs/dbraw/zinc/72/22/32/919722232.db2.gz PSJAVWPARRXJQK-UHFFFAOYSA-N 1 0 406.486 4.117 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511223496 919830383 /nfs/dbraw/zinc/83/03/83/919830383.db2.gz PDICFLUAFOCJNX-RDJZCZTQSA-N 1 0 401.894 4.279 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511270686 919868673 /nfs/dbraw/zinc/86/86/73/919868673.db2.gz SFECTRZDFWVGNF-HOTGVXAUSA-N 1 0 405.564 4.478 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)o2)c1 ZINC000511765087 920449505 /nfs/dbraw/zinc/44/95/05/920449505.db2.gz LXZCGXIRKLNRFL-BHIFYINESA-N 1 0 419.481 4.297 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511880494 920613245 /nfs/dbraw/zinc/61/32/45/920613245.db2.gz VRGADFSOMUDEGX-SFHLNBCPSA-N 1 0 409.486 4.200 20 5 HIBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000512193122 920938275 /nfs/dbraw/zinc/93/82/75/920938275.db2.gz FLYJBKNHBFWKMU-JOCHJYFZSA-N 1 0 424.545 4.079 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)co2)cc1 ZINC000512295161 921050486 /nfs/dbraw/zinc/05/04/86/921050486.db2.gz SCYLLSSYFLQADM-DEOSSOPVSA-N 1 0 418.497 4.348 20 5 HIBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000513786999 922111986 /nfs/dbraw/zinc/11/19/86/922111986.db2.gz RGPNBDKTJFFZFH-MZYLBHOOSA-N 1 0 421.541 4.129 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000513787050 922112939 /nfs/dbraw/zinc/11/29/39/922112939.db2.gz SGGGIJNUYNBSGI-DNVCBOLYSA-N 1 0 422.934 4.023 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000514156129 922493528 /nfs/dbraw/zinc/49/35/28/922493528.db2.gz OORLVOHUNGBYFS-KRWDZBQOSA-N 1 0 413.543 4.378 20 5 HIBDRO Cc1c(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000515107407 922921109 /nfs/dbraw/zinc/92/11/09/922921109.db2.gz RVXNQRATGMKFOC-UHFFFAOYSA-N 1 0 404.470 4.406 20 5 HIBDRO CSc1cccc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000516883682 923923061 /nfs/dbraw/zinc/92/30/61/923923061.db2.gz GPGCLUZKMSFWSI-JOCHJYFZSA-N 1 0 411.527 4.055 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccn(-c4ccccc4)n3)o2)c([N+](=O)[O-])c1 ZINC000517549886 924259492 /nfs/dbraw/zinc/25/94/92/924259492.db2.gz YWKPAEHEGTYKHV-UHFFFAOYSA-N 1 0 418.453 4.381 20 5 HIBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000517548607 924259702 /nfs/dbraw/zinc/25/97/02/924259702.db2.gz XQQGIMIPPKVDQD-UHFFFAOYSA-N 1 0 405.882 4.435 20 5 HIBDRO O=C(NCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(F)c1 ZINC000517711305 926807476 /nfs/dbraw/zinc/80/74/76/926807476.db2.gz JIELJHZFCLJFLZ-UHFFFAOYSA-N 1 0 413.474 4.372 20 5 HIBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000518031238 926970352 /nfs/dbraw/zinc/97/03/52/926970352.db2.gz ARTKBDNMVIGBRM-ROUUACIJSA-N 1 0 410.518 4.057 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000518088928 927014566 /nfs/dbraw/zinc/01/45/66/927014566.db2.gz HPVBWMGPSQAQBN-GOSISDBHSA-N 1 0 405.564 4.433 20 5 HIBDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000518262991 927120263 /nfs/dbraw/zinc/12/02/63/927120263.db2.gz ZVKGHSWWCSBATI-HSZRJFAPSA-N 1 0 419.481 4.424 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)Cc3ccc(F)cc3)s2)cc1 ZINC000518263380 927120553 /nfs/dbraw/zinc/12/05/53/927120553.db2.gz LRHFMAXFLRAGBA-MRXNPFEDSA-N 1 0 400.475 4.403 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)C[C@@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518279062 927137886 /nfs/dbraw/zinc/13/78/86/927137886.db2.gz UYQLAKGZKOZMHF-JXFKEZNVSA-N 1 0 400.475 4.230 20 5 HIBDRO C[C@H]([NH2+]C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCC1)c1ccccc1 ZINC000518336290 927201263 /nfs/dbraw/zinc/20/12/63/927201263.db2.gz LXQVNNQGUTZIOV-INIZCTEOSA-N 1 0 406.486 4.470 20 5 HIBDRO COc1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518619045 927382266 /nfs/dbraw/zinc/38/22/66/927382266.db2.gz DROJXMYRDQCSST-UHFFFAOYSA-N 1 0 414.502 4.165 20 5 HIBDRO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 ZINC000518775930 927485822 /nfs/dbraw/zinc/48/58/22/927485822.db2.gz JBXSZVCZUMXNIQ-UHFFFAOYSA-N 1 0 421.453 4.154 20 5 HIBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000518805246 927503725 /nfs/dbraw/zinc/50/37/25/927503725.db2.gz HQYJCLOQGOLALD-SFHVURJKSA-N 1 0 410.518 4.059 20 5 HIBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000519902375 928136899 /nfs/dbraw/zinc/13/68/99/928136899.db2.gz WFEITNHIPXFQFY-GOSISDBHSA-N 1 0 416.566 4.025 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)Cc2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000520200561 928385169 /nfs/dbraw/zinc/38/51/69/928385169.db2.gz BZPRLONRHWFSQT-LJQANCHMSA-N 1 0 410.445 4.467 20 5 HIBDRO C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000520217648 928395941 /nfs/dbraw/zinc/39/59/41/928395941.db2.gz CCLMEFZLNNJZOJ-JTSKRJEESA-N 1 0 406.486 4.495 20 5 HIBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000520312683 928473884 /nfs/dbraw/zinc/47/38/84/928473884.db2.gz MCTZXISSQPVXSC-IBGZPJMESA-N 1 0 419.569 4.172 20 5 HIBDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000520408736 928550539 /nfs/dbraw/zinc/55/05/39/928550539.db2.gz OHCKRDPTJSRZHH-CQSZACIVSA-N 1 0 405.882 4.496 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)c2cnn(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520951694 928886242 /nfs/dbraw/zinc/88/62/42/928886242.db2.gz IGOSFZRSUBJLOC-OAHLLOKOSA-N 1 0 410.474 4.075 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3cccc(OC)c3OC)o2)c([N+](=O)[O-])c1 ZINC000520956164 928888619 /nfs/dbraw/zinc/88/86/19/928888619.db2.gz CIPHYQIAQQXLBC-UHFFFAOYSA-N 1 0 412.442 4.213 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000520989627 928906721 /nfs/dbraw/zinc/90/67/21/928906721.db2.gz VJIYKSSZSPMGJF-UHFFFAOYSA-N 1 0 407.474 4.263 20 5 HIBDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000520991848 928908761 /nfs/dbraw/zinc/90/87/61/928908761.db2.gz JIXGOVVBNUMNQN-UHFFFAOYSA-N 1 0 400.866 4.219 20 5 HIBDRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000521326329 929141065 /nfs/dbraw/zinc/14/10/65/929141065.db2.gz MUHIPJFIMNRRSQ-UHFFFAOYSA-N 1 0 411.462 4.053 20 5 HIBDRO CCC(CC)[C@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000521377768 929193146 /nfs/dbraw/zinc/19/31/46/929193146.db2.gz RIVJUUNOJOYGPQ-JOCHJYFZSA-N 1 0 408.502 4.334 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000521449890 929227269 /nfs/dbraw/zinc/22/72/69/929227269.db2.gz SFYHUFLMYBEIAC-QGZVFWFLSA-N 1 0 410.518 4.054 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CCO3)s2)cc1 ZINC000521820893 929477583 /nfs/dbraw/zinc/47/75/83/929477583.db2.gz PUISFPLDELTTHS-NRFANRHFSA-N 1 0 423.538 4.314 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000521821430 929479453 /nfs/dbraw/zinc/47/94/53/929479453.db2.gz RSVJBWZSCKJTNY-UHFFFAOYSA-N 1 0 420.517 4.013 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)COc3ccc(F)c(F)c3)s2)cc1 ZINC000521829172 929482402 /nfs/dbraw/zinc/48/24/02/929482402.db2.gz ULGHAJRZVVEYKS-HNNXBMFYSA-N 1 0 420.437 4.131 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000521991176 929615346 /nfs/dbraw/zinc/61/53/46/929615346.db2.gz RGVKQRLDADFDOE-UHFFFAOYSA-N 1 0 410.518 4.312 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)cc2[N+](=O)[O-])cc1 ZINC000524695428 929802762 /nfs/dbraw/zinc/80/27/62/929802762.db2.gz IGOGYENYBZEGBG-FQEVSTJZSA-N 1 0 411.527 4.221 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525462633 930255824 /nfs/dbraw/zinc/25/58/24/930255824.db2.gz ZAJNUEJFISEPRZ-STZQEDGTSA-N 1 0 412.486 4.086 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525462634 930255866 /nfs/dbraw/zinc/25/58/66/930255866.db2.gz ZAJNUEJFISEPRZ-VLCRHTCISA-N 1 0 412.486 4.086 20 5 HIBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525537574 930311082 /nfs/dbraw/zinc/31/10/82/930311082.db2.gz USDMIQCWXWIPEK-KDOFPFPSSA-N 1 0 417.893 4.453 20 5 HIBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000530345989 930688875 /nfs/dbraw/zinc/68/88/75/930688875.db2.gz RIVIYEFXNBLCJK-UHFFFAOYSA-N 1 0 418.925 4.274 20 5 HIBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000530933787 930862445 /nfs/dbraw/zinc/86/24/45/930862445.db2.gz RCWNHWFEXDUDSS-JXNHNBEASA-N 1 0 406.504 4.033 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000531692068 931156324 /nfs/dbraw/zinc/15/63/24/931156324.db2.gz FJTMZMZYFLUXOC-SJORKVTESA-N 1 0 419.547 4.346 20 5 HIBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810991 931205550 /nfs/dbraw/zinc/20/55/50/931205550.db2.gz FNDZOVLMMRDKKV-KZULUSFZSA-N 1 0 420.307 4.190 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)C2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531884937 931234495 /nfs/dbraw/zinc/23/44/95/931234495.db2.gz KOQMDWWGUKOKPP-MRXNPFEDSA-N 1 0 400.475 4.087 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccncc3)o2)c(Br)c1 ZINC000531915806 931245093 /nfs/dbraw/zinc/24/50/93/931245093.db2.gz RCCBCNYVNSTBTE-UHFFFAOYSA-N 1 0 402.248 4.345 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531955435 931263673 /nfs/dbraw/zinc/26/36/73/931263673.db2.gz DKPIBADTFXWYJJ-UTKZUKDTSA-N 1 0 411.502 4.398 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000532219085 931358477 /nfs/dbraw/zinc/35/84/77/931358477.db2.gz MFRBAFPVUCBAQU-CQSZACIVSA-N 1 0 420.307 4.136 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000532579341 931539045 /nfs/dbraw/zinc/53/90/45/931539045.db2.gz SAXGEVGVJHKRGS-UHFFFAOYSA-N 1 0 413.318 4.049 20 5 HIBDRO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000532968520 931718404 /nfs/dbraw/zinc/71/84/04/931718404.db2.gz JZFJIBIHPXDELH-AWEZNQCLSA-N 1 0 420.307 4.167 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOc3ncccc3C(F)(F)F)cs2)c1 ZINC000533007711 931733860 /nfs/dbraw/zinc/73/38/60/931733860.db2.gz JXGDEVQZSCFNTQ-UHFFFAOYSA-N 1 0 424.404 4.301 20 5 HIBDRO CN(c1ccccc1)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000533023796 931742774 /nfs/dbraw/zinc/74/27/74/931742774.db2.gz ICOQSJPHRYDJOW-UHFFFAOYSA-N 1 0 406.486 4.393 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533046291 931751168 /nfs/dbraw/zinc/75/11/68/931751168.db2.gz PEGSCSNOAUKJBI-NRFANRHFSA-N 1 0 401.438 4.202 20 5 HIBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3ccccc3Br)s2)c1 ZINC000533187377 931804804 /nfs/dbraw/zinc/80/48/04/931804804.db2.gz VUZZXUJACCEDOZ-UHFFFAOYSA-N 1 0 407.293 4.072 20 5 HIBDRO C[N@H+](CCOc1ccccc1Cl)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533218799 931812429 /nfs/dbraw/zinc/81/24/29/931812429.db2.gz ADUSFCKIXXWAOO-UHFFFAOYSA-N 1 0 401.850 4.457 20 5 HIBDRO COc1ccc(CCC2CCN(CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)cc1 ZINC000533235605 931815782 /nfs/dbraw/zinc/81/57/82/931815782.db2.gz VANUYZHMTGDNCP-UHFFFAOYSA-N 1 0 411.502 4.195 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000533303466 931833552 /nfs/dbraw/zinc/83/35/52/931833552.db2.gz YGRDWYGWVIRJSX-OAHLLOKOSA-N 1 0 403.866 4.075 20 5 HIBDRO COc1cc(C[NH2+]C2(c3ccccc3)CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000533381316 931853423 /nfs/dbraw/zinc/85/34/23/931853423.db2.gz LIDOJMHCTIZGGR-UHFFFAOYSA-N 1 0 408.401 4.000 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000533427482 931865394 /nfs/dbraw/zinc/86/53/94/931865394.db2.gz SWHPWJFYPZKCGQ-YCRPNKLZSA-N 1 0 415.515 4.111 20 5 HIBDRO C[N@@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534227486 932346550 /nfs/dbraw/zinc/34/65/50/932346550.db2.gz XRESXTGYCRBASJ-IIBYNOLFSA-N 1 0 419.884 4.129 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCO1 ZINC000534467864 932488988 /nfs/dbraw/zinc/48/89/88/932488988.db2.gz QGUFUCACQFHXIO-WOJBJXKFSA-N 1 0 400.475 4.230 20 5 HIBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)C2)CC1 ZINC000534487996 932526788 /nfs/dbraw/zinc/52/67/88/932526788.db2.gz BERUZTFCIDJFHQ-FQEVSTJZSA-N 1 0 422.529 4.011 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000535115191 932932627 /nfs/dbraw/zinc/93/26/27/932932627.db2.gz DLRLIBPPFGGOLF-NFBKMPQASA-N 1 0 423.513 4.332 20 5 HIBDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673415 933321100 /nfs/dbraw/zinc/32/11/00/933321100.db2.gz XTNUHYOUSCKNNN-KXBFYZLASA-N 1 0 405.857 4.119 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535682581 933335916 /nfs/dbraw/zinc/33/59/16/933335916.db2.gz VTQKRQKLIKRKCQ-KUHUBIRLSA-N 1 0 405.857 4.119 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536009862 933567724 /nfs/dbraw/zinc/56/77/24/933567724.db2.gz QYNRSOYWNYJPOK-SFHVURJKSA-N 1 0 422.529 4.237 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000537519061 933799145 /nfs/dbraw/zinc/79/91/45/933799145.db2.gz WRIYLBNTFRUWTP-UHFFFAOYSA-N 1 0 401.532 4.479 20 5 HIBDRO COc1ccc([C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000537644529 938344981 /nfs/dbraw/zinc/34/49/81/938344981.db2.gz MBXYNBHQVYZTKE-FQEVSTJZSA-N 1 0 411.502 4.096 20 5 HIBDRO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000537689050 938355207 /nfs/dbraw/zinc/35/52/07/938355207.db2.gz YRTXISKCRATGEC-AVRDEDQJSA-N 1 0 406.486 4.040 20 5 HIBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000537691843 938356161 /nfs/dbraw/zinc/35/61/61/938356161.db2.gz DBMKJRDNDIOCSQ-LJQANCHMSA-N 1 0 413.543 4.355 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 ZINC000537775184 938374294 /nfs/dbraw/zinc/37/42/94/938374294.db2.gz YOASKGJWWDFQRU-GCJKJVERSA-N 1 0 414.527 4.482 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000538096871 938501138 /nfs/dbraw/zinc/50/11/38/938501138.db2.gz YEYQNBRMMHLYBX-FXAWDEMLSA-N 1 0 408.502 4.078 20 5 HIBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538125714 938511966 /nfs/dbraw/zinc/51/19/66/938511966.db2.gz YVPACWBUSNWLMM-UYAOXDASSA-N 1 0 400.475 4.087 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000538162224 938530026 /nfs/dbraw/zinc/53/00/26/938530026.db2.gz BTGDVGLBOMIZEY-HNNXBMFYSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000538168630 938533328 /nfs/dbraw/zinc/53/33/28/938533328.db2.gz OVOMNZVYABTCIH-GFCCVEGCSA-N 1 0 422.279 4.045 20 5 HIBDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538175899 938536543 /nfs/dbraw/zinc/53/65/43/938536543.db2.gz FZAWXEPZZXQXNN-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000538210386 938557259 /nfs/dbraw/zinc/55/72/59/938557259.db2.gz HKYMSNRNUUWQRU-OAHLLOKOSA-N 1 0 420.916 4.380 20 5 HIBDRO COc1cc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000538234503 938568589 /nfs/dbraw/zinc/56/85/89/938568589.db2.gz RCNQRKVKBBEBTF-WMLDXEAASA-N 1 0 422.428 4.462 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000538237070 938569917 /nfs/dbraw/zinc/56/99/17/938569917.db2.gz HWHSLFKFQQWKIJ-MRXNPFEDSA-N 1 0 413.543 4.272 20 5 HIBDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000538258230 938576505 /nfs/dbraw/zinc/57/65/05/938576505.db2.gz WTVQLUIQIYOREW-HNNXBMFYSA-N 1 0 405.454 4.220 20 5 HIBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000538312005 938590017 /nfs/dbraw/zinc/59/00/17/938590017.db2.gz IQYWXRINJCVGBM-UHFFFAOYSA-N 1 0 404.470 4.039 20 5 HIBDRO CCOc1ccc([C@@H](C)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1[N+](=O)[O-] ZINC000538534149 938643414 /nfs/dbraw/zinc/64/34/14/938643414.db2.gz BLTJNHYESNEHPH-GOSISDBHSA-N 1 0 412.534 4.304 20 5 HIBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)CC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538726990 938693118 /nfs/dbraw/zinc/69/31/18/938693118.db2.gz MOMKESITRSQAMC-INIZCTEOSA-N 1 0 416.522 4.198 20 5 HIBDRO COC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000538729835 938694803 /nfs/dbraw/zinc/69/48/03/938694803.db2.gz ZFIOTUGRPGUZMO-IBGZPJMESA-N 1 0 400.475 4.041 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000538749864 938700701 /nfs/dbraw/zinc/70/07/01/938700701.db2.gz KNMONQLRTMEKLZ-UXHICEINSA-N 1 0 418.497 4.306 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000538749865 938700805 /nfs/dbraw/zinc/70/08/05/938700805.db2.gz KNMONQLRTMEKLZ-VQTJNVASSA-N 1 0 418.497 4.306 20 5 HIBDRO Cn1cc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538751238 938701868 /nfs/dbraw/zinc/70/18/68/938701868.db2.gz WSPPOPBSEPRCJH-HXUWFJFHSA-N 1 0 412.877 4.302 20 5 HIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H]1CCC[C@@H]1O ZINC000538811691 938719010 /nfs/dbraw/zinc/71/90/10/938719010.db2.gz BNMLMBHFUXYJOL-PXAZEXFGSA-N 1 0 409.280 4.210 20 5 HIBDRO Cc1ccc([C@H](C)NCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000539103366 938803431 /nfs/dbraw/zinc/80/34/31/938803431.db2.gz ABNJJNOBBXZOOJ-INIZCTEOSA-N 1 0 402.926 4.159 20 5 HIBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000539232538 938822751 /nfs/dbraw/zinc/82/27/51/938822751.db2.gz IAKRGHOSNLZRSP-CYBMUJFWSA-N 1 0 412.471 4.016 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000539254463 938827399 /nfs/dbraw/zinc/82/73/99/938827399.db2.gz QURORWIZTFHYAT-PXNSSMCTSA-N 1 0 411.502 4.398 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000539265602 938829821 /nfs/dbraw/zinc/82/98/21/938829821.db2.gz SGRZUCZFBJAISC-OAHLLOKOSA-N 1 0 401.463 4.070 20 5 HIBDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000539280877 938832734 /nfs/dbraw/zinc/83/27/34/938832734.db2.gz IMUKTVHHJXMMBM-CQSZACIVSA-N 1 0 410.499 4.340 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000539333493 938843210 /nfs/dbraw/zinc/84/32/10/938843210.db2.gz CVLPVLKZZZOZGT-JKSUJKDBSA-N 1 0 420.469 4.343 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000539346768 938846108 /nfs/dbraw/zinc/84/61/08/938846108.db2.gz ZOIHSWICDVFVND-GFCCVEGCSA-N 1 0 411.380 4.302 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1[N+](=O)[O-] ZINC000539376539 938851214 /nfs/dbraw/zinc/85/12/14/938851214.db2.gz JDMGQUJWLXECGP-LLVKDONJSA-N 1 0 421.379 4.088 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000539525733 938873303 /nfs/dbraw/zinc/87/33/03/938873303.db2.gz NBHFBLAQQGCLRA-UHFFFAOYSA-N 1 0 404.308 4.112 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000539821112 938944621 /nfs/dbraw/zinc/94/46/21/938944621.db2.gz ZLHIPEKABPJJNU-UHFFFAOYSA-N 1 0 422.529 4.340 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000539829657 938950203 /nfs/dbraw/zinc/95/02/03/938950203.db2.gz SUYGJIHXOLXMQU-LJQANCHMSA-N 1 0 405.502 4.161 20 5 HIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000539905414 938975257 /nfs/dbraw/zinc/97/52/57/938975257.db2.gz QYFFQYGUAYCPKV-UHFFFAOYSA-N 1 0 418.291 4.248 20 5 HIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000539977564 939028275 /nfs/dbraw/zinc/02/82/75/939028275.db2.gz JFPAKINWJPPMAG-MSOLQXFVSA-N 1 0 406.486 4.352 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540066501 939056818 /nfs/dbraw/zinc/05/68/18/939056818.db2.gz JZJDQWRQEYALKX-KNQAVFIVSA-N 1 0 414.502 4.476 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540067889 939057137 /nfs/dbraw/zinc/05/71/37/939057137.db2.gz CMEOQARAABEEOC-UHFFFAOYSA-N 1 0 416.481 4.183 20 5 HIBDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000540325876 939195853 /nfs/dbraw/zinc/19/58/53/939195853.db2.gz IMLBUJIPRDORGC-UHFFFAOYSA-N 1 0 407.518 4.435 20 5 HIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000540350783 939202427 /nfs/dbraw/zinc/20/24/27/939202427.db2.gz DAPKXOSUTXUPPP-PBHICJAKSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(C)C ZINC000540350981 939203308 /nfs/dbraw/zinc/20/33/08/939203308.db2.gz FYEXREMOIWKBOW-MRXNPFEDSA-N 1 0 415.490 4.378 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540361605 939210304 /nfs/dbraw/zinc/21/03/04/939210304.db2.gz KIAVGTCOXJNYPW-OAHLLOKOSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000540410612 939238997 /nfs/dbraw/zinc/23/89/97/939238997.db2.gz UGBGLWXRGDKKHY-NRFANRHFSA-N 1 0 401.438 4.202 20 5 HIBDRO C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(-c2cccnc2)cc1 ZINC000540424887 939244310 /nfs/dbraw/zinc/24/43/10/939244310.db2.gz HMSBZGAOUSZIMU-MRXNPFEDSA-N 1 0 418.453 4.306 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1SC ZINC000540432902 939246605 /nfs/dbraw/zinc/24/66/05/939246605.db2.gz IBGQRDDUSPRSLR-UHFFFAOYSA-N 1 0 415.515 4.214 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000540440467 939251121 /nfs/dbraw/zinc/25/11/21/939251121.db2.gz WKVVQYDOFGLSTE-JKSUJKDBSA-N 1 0 420.469 4.343 20 5 HIBDRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540476077 939267317 /nfs/dbraw/zinc/26/73/17/939267317.db2.gz QIDRPZCIGPSYOG-UWJYYQICSA-N 1 0 411.502 4.316 20 5 HIBDRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540476073 939267530 /nfs/dbraw/zinc/26/75/30/939267530.db2.gz QIDRPZCIGPSYOG-LAUBAEHRSA-N 1 0 411.502 4.316 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000540547172 939300518 /nfs/dbraw/zinc/30/05/18/939300518.db2.gz PKSYQZNFIKYNIY-UHFFFAOYSA-N 1 0 415.515 4.103 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CC(F)(F)F)o2)c(Br)c1 ZINC000540620025 939322238 /nfs/dbraw/zinc/32/22/38/939322238.db2.gz YCOMAMCOINWIEK-VIFPVBQESA-N 1 0 423.185 4.020 20 5 HIBDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000541323033 939490887 /nfs/dbraw/zinc/49/08/87/939490887.db2.gz AIRZIIORGHPCNW-VMDGZTHMSA-N 1 0 408.907 4.009 20 5 HIBDRO CCc1ccc([C@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549126 939551729 /nfs/dbraw/zinc/55/17/29/939551729.db2.gz MOMHFNGAUCQICY-AUUYWEPGSA-N 1 0 411.424 4.313 20 5 HIBDRO CCc1ccc([C@H]([NH2+]CCCNC(=O)c2occc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541564900 939556471 /nfs/dbraw/zinc/55/64/71/939556471.db2.gz IKVCJWSRKVXTPY-HXUWFJFHSA-N 1 0 411.458 4.151 20 5 HIBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC[C@H]21 ZINC000541726240 939615059 /nfs/dbraw/zinc/61/50/59/939615059.db2.gz KHOKEPWPJPAJRC-FXAWDEMLSA-N 1 0 417.575 4.433 20 5 HIBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C1=CC[N@H+](C)CC1 ZINC000541749327 939620305 /nfs/dbraw/zinc/62/03/05/939620305.db2.gz MQMUGRVEJGSVOV-HNNXBMFYSA-N 1 0 403.548 4.257 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000542142418 939728523 /nfs/dbraw/zinc/72/85/23/939728523.db2.gz MOPIVNDARFAEIR-LSDHHAIUSA-N 1 0 410.474 4.011 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542328847 939801469 /nfs/dbraw/zinc/80/14/69/939801469.db2.gz NHOGWOPMEFJZFT-HUUCEWRRSA-N 1 0 413.971 4.215 20 5 HIBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000542337576 939803049 /nfs/dbraw/zinc/80/30/49/939803049.db2.gz FCMHFFSTDIDGDR-UHFFFAOYSA-N 1 0 419.934 4.075 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542514323 939835662 /nfs/dbraw/zinc/83/56/62/939835662.db2.gz GAEPDTJYTYQZAF-OAHLLOKOSA-N 1 0 403.454 4.197 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1ccccc1 ZINC000542544790 939841595 /nfs/dbraw/zinc/84/15/95/939841595.db2.gz MGESYBFUZXBOBU-OLZOCXBDSA-N 1 0 406.280 4.078 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000542594154 939847180 /nfs/dbraw/zinc/84/71/80/939847180.db2.gz KJIUIJRFVXLZAT-SFHVURJKSA-N 1 0 403.548 4.187 20 5 HIBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000542666534 939852708 /nfs/dbraw/zinc/85/27/08/939852708.db2.gz SVILSRBPRHIYTE-NSHDSACASA-N 1 0 403.287 4.026 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000542863304 939864000 /nfs/dbraw/zinc/86/40/00/939864000.db2.gz KPXQSPMQUOQHQS-QGZVFWFLSA-N 1 0 409.408 4.182 20 5 HIBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000543157099 939979882 /nfs/dbraw/zinc/97/98/82/939979882.db2.gz SPPLCHWVNCVTIY-UHFFFAOYSA-N 1 0 403.482 4.199 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000543184990 939989311 /nfs/dbraw/zinc/98/93/11/939989311.db2.gz GNOBCAUTNPFVSK-HXUWFJFHSA-N 1 0 406.479 4.029 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000543184429 939989333 /nfs/dbraw/zinc/98/93/33/939989333.db2.gz WQCCVXPEYOHBBR-FQEVSTJZSA-N 1 0 406.479 4.029 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000543197575 939992458 /nfs/dbraw/zinc/99/24/58/939992458.db2.gz LMFLHYQEDWCIMY-JOCHJYFZSA-N 1 0 422.529 4.143 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC3(CCC[N@@H+]3C)CC2)cc1OC ZINC000543196535 939992719 /nfs/dbraw/zinc/99/27/19/939992719.db2.gz DJPAZWJXNISHTH-KRWDZBQOSA-N 1 0 405.539 4.089 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543392831 940049661 /nfs/dbraw/zinc/04/96/61/940049661.db2.gz CNQNRCPLXVMJQK-LLVKDONJSA-N 1 0 419.425 4.237 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)c(Cl)c1 ZINC000543395777 940050769 /nfs/dbraw/zinc/05/07/69/940050769.db2.gz WXLXLUFXEXQEEO-IBGZPJMESA-N 1 0 410.301 4.065 20 5 HIBDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543498052 940085522 /nfs/dbraw/zinc/08/55/22/940085522.db2.gz SLVBSDWFYCBZKR-SOUVJXGZSA-N 1 0 412.408 4.135 20 5 HIBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccccc2)cs1 ZINC000543516331 940092818 /nfs/dbraw/zinc/09/28/18/940092818.db2.gz CPQPJJBSOAKHLN-AWEZNQCLSA-N 1 0 424.482 4.367 20 5 HIBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543556581 940107544 /nfs/dbraw/zinc/10/75/44/940107544.db2.gz FXLNRXREVDVEGV-LPHOPBHVSA-N 1 0 421.856 4.178 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000543633353 940143458 /nfs/dbraw/zinc/14/34/58/940143458.db2.gz FHXCZJYQFODWDG-IBGZPJMESA-N 1 0 421.419 4.203 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000543846412 940206841 /nfs/dbraw/zinc/20/68/41/940206841.db2.gz HWZBJAVVGDSAHB-IBGZPJMESA-N 1 0 409.845 4.321 20 5 HIBDRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000544416426 940417593 /nfs/dbraw/zinc/41/75/93/940417593.db2.gz ZSIFNCMXWVREIX-IBGZPJMESA-N 1 0 407.495 4.119 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000544564444 940480221 /nfs/dbraw/zinc/48/02/21/940480221.db2.gz GIXFKHLHPTWNET-DLBZAZTESA-N 1 0 406.523 4.419 20 5 HIBDRO COc1cc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626249 940493697 /nfs/dbraw/zinc/49/36/97/940493697.db2.gz OEWGPVLEWLFTKT-HKUYNNGSSA-N 1 0 404.438 4.103 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000545002581 940532431 /nfs/dbraw/zinc/53/24/31/940532431.db2.gz MXGKHUSLVHLYKZ-UHFFFAOYSA-N 1 0 400.410 4.172 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCC[N@H+](Cc5ccccc5)C4)n3)c2c1 ZINC000545146045 940550556 /nfs/dbraw/zinc/55/05/56/940550556.db2.gz URDSMBYGIPIGMQ-KRWDZBQOSA-N 1 0 417.469 4.430 20 5 HIBDRO C[C@@](O)(C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1)C(F)(F)F ZINC000545244471 940558196 /nfs/dbraw/zinc/55/81/96/940558196.db2.gz IRRQVYPDSKVNEC-QGZVFWFLSA-N 1 0 415.437 4.244 20 5 HIBDRO O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccccc4C[NH+]4CCCC4)no3)n2)c1 ZINC000546944647 940921947 /nfs/dbraw/zinc/92/19/47/940921947.db2.gz ZUGJYLUXLAONGF-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)cc1OC ZINC000546983517 940938352 /nfs/dbraw/zinc/93/83/52/940938352.db2.gz FZVHZVCQGYRFND-UHFFFAOYSA-N 1 0 418.475 4.103 20 5 HIBDRO C[NH+](C)Cc1cc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)ccc1F ZINC000547165160 941017937 /nfs/dbraw/zinc/01/79/37/941017937.db2.gz FTMISEKEKCLTFJ-UHFFFAOYSA-N 1 0 421.226 4.275 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547245184 941042100 /nfs/dbraw/zinc/04/21/00/941042100.db2.gz GTYGYDDCYQMRPB-IERDGZPVSA-N 1 0 413.493 4.038 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549510511 941197606 /nfs/dbraw/zinc/19/76/06/941197606.db2.gz XWHAGAJXPNQLHF-KDOFPFPSSA-N 1 0 404.898 4.220 20 5 HIBDRO CN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000549687618 941204569 /nfs/dbraw/zinc/20/45/69/941204569.db2.gz MBUIJCFRSJCHPM-QZTJIDSGSA-N 1 0 415.362 4.427 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(Br)ccc1F ZINC000551241790 941434013 /nfs/dbraw/zinc/43/40/13/941434013.db2.gz OYASCLSIWHIXGK-NSHDSACASA-N 1 0 410.243 4.003 20 5 HIBDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000551313534 941449056 /nfs/dbraw/zinc/44/90/56/941449056.db2.gz ODGQEIZGBXYFET-AWEZNQCLSA-N 1 0 419.844 4.340 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000551675478 941524628 /nfs/dbraw/zinc/52/46/28/941524628.db2.gz DXZLDQQXMGMAGX-INIZCTEOSA-N 1 0 415.799 4.300 20 5 HIBDRO O=C(C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000551788950 941545443 /nfs/dbraw/zinc/54/54/43/941545443.db2.gz JZVIZRACWNBGKJ-HOTGVXAUSA-N 1 0 407.392 4.478 20 5 HIBDRO Cn1ccnc1[C@@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000552066488 941578628 /nfs/dbraw/zinc/57/86/28/941578628.db2.gz LMZLFSYZDUKQGJ-NRFANRHFSA-N 1 0 423.904 4.395 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)s1 ZINC000552134718 941591931 /nfs/dbraw/zinc/59/19/31/941591931.db2.gz VCJLPBGCRIGKMA-MRXNPFEDSA-N 1 0 424.526 4.107 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3Cn3cnc4ccccc43)co2)cc1 ZINC000552156431 941595046 /nfs/dbraw/zinc/59/50/46/941595046.db2.gz FTOGVZMGIWNSRL-IBGZPJMESA-N 1 0 403.442 4.264 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553175299 941844680 /nfs/dbraw/zinc/84/46/80/941844680.db2.gz ZHMQQWXZRGJONM-RDGATRHJSA-N 1 0 421.541 4.288 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cn2ccnc2)cn1 ZINC000553296316 941862651 /nfs/dbraw/zinc/86/26/51/941862651.db2.gz WSRBNAQECNVACG-UHFFFAOYSA-N 1 0 411.487 4.235 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC(F)F ZINC000553676463 941942196 /nfs/dbraw/zinc/94/21/96/941942196.db2.gz IZEGSVXQSNMMRS-OAQYLSRUSA-N 1 0 403.429 4.299 20 5 HIBDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887032 942308797 /nfs/dbraw/zinc/30/87/97/942308797.db2.gz APGHQFONPXQMKS-UGSOOPFHSA-N 1 0 422.323 4.389 20 5 HIBDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000554887030 942309103 /nfs/dbraw/zinc/30/91/03/942309103.db2.gz APGHQFONPXQMKS-SCLBCKFNSA-N 1 0 422.323 4.389 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000555010406 942354503 /nfs/dbraw/zinc/35/45/03/942354503.db2.gz ARRZXOVRKNDNJR-SIKLNZKXSA-N 1 0 423.513 4.120 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555286506 942462753 /nfs/dbraw/zinc/46/27/53/942462753.db2.gz RDIUPHRHSUWBBA-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO Cc1noc(C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccccc2)n1 ZINC000555460677 942563313 /nfs/dbraw/zinc/56/33/13/942563313.db2.gz BCRQCMURSPCPPW-QGZVFWFLSA-N 1 0 406.364 4.379 20 5 HIBDRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556242058 942824827 /nfs/dbraw/zinc/82/48/27/942824827.db2.gz QSCQLVRDSZDKJM-RTOPAQNCSA-N 1 0 411.477 4.453 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556608688 942913960 /nfs/dbraw/zinc/91/39/60/942913960.db2.gz MYUWSSCGSIACBP-TZIWHRDSSA-N 1 0 412.486 4.326 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000556911340 942962312 /nfs/dbraw/zinc/96/23/12/942962312.db2.gz KYLROPGUXIVBLU-INMHGKMJSA-N 1 0 418.519 4.236 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H](CCO)c3ccc(Cl)cc3)o2)c1 ZINC000558142274 943394512 /nfs/dbraw/zinc/39/45/12/943394512.db2.gz BVUZAFIKOTZICF-GOSISDBHSA-N 1 0 401.850 4.159 20 5 HIBDRO CN(c1ccccc1)c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412426 943552473 /nfs/dbraw/zinc/55/24/73/943552473.db2.gz ZHPKAAXOPXTYJI-AEFFLSMTSA-N 1 0 423.435 4.355 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000558497551 943576509 /nfs/dbraw/zinc/57/65/09/943576509.db2.gz OVMVGDMANWXEDU-UXHICEINSA-N 1 0 408.502 4.197 20 5 HIBDRO CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Br)[NH+](C)C)cc1 ZINC000559000709 943797783 /nfs/dbraw/zinc/79/77/83/943797783.db2.gz AKSGSGJPWFDWSG-HNNXBMFYSA-N 1 0 411.325 4.189 20 5 HIBDRO CC[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000560270036 944213991 /nfs/dbraw/zinc/21/39/91/944213991.db2.gz ZCDMVIPKVORBLA-NFBKMPQASA-N 1 0 422.485 4.061 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000560921109 944370589 /nfs/dbraw/zinc/37/05/89/944370589.db2.gz WUUBSQVKXYGRRL-CQSZACIVSA-N 1 0 420.307 4.045 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000561728442 944767227 /nfs/dbraw/zinc/76/72/27/944767227.db2.gz TVBQJAKJZUIHGB-GOSISDBHSA-N 1 0 419.572 4.461 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562056366 944914963 /nfs/dbraw/zinc/91/49/63/944914963.db2.gz GOUAXUPLVLOSIS-IRXDYDNUSA-N 1 0 414.893 4.234 20 5 HIBDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 ZINC000564255081 945472544 /nfs/dbraw/zinc/47/25/44/945472544.db2.gz YXVVJXXMTXJIHI-SIKLNZKXSA-N 1 0 421.457 4.314 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000565090847 945773033 /nfs/dbraw/zinc/77/30/33/945773033.db2.gz IAKZNISRTKZAJI-IZPCHGGPSA-N 1 0 414.483 4.452 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000565141553 945787048 /nfs/dbraw/zinc/78/70/48/945787048.db2.gz KJRZTIAYXHZXGZ-HOCLYGCPSA-N 1 0 409.408 4.323 20 5 HIBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000565374127 945818746 /nfs/dbraw/zinc/81/87/46/945818746.db2.gz LCJKQACGPOGUQI-SNVBAGLBSA-N 1 0 402.154 4.020 20 5 HIBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000566567152 946041636 /nfs/dbraw/zinc/04/16/36/946041636.db2.gz VZNFLPNMLZKHDB-QHCPKHFHSA-N 1 0 414.502 4.167 20 5 HIBDRO C[C@@H]1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000568912230 946747056 /nfs/dbraw/zinc/74/70/56/946747056.db2.gz VULRSSFNSKYELC-IIBYNOLFSA-N 1 0 408.527 4.471 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)s2)cc1 ZINC000570485281 947263919 /nfs/dbraw/zinc/26/39/19/947263919.db2.gz VIUQLGRYYGVEAA-BBRMVZONSA-N 1 0 400.422 4.316 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000570502192 947268989 /nfs/dbraw/zinc/26/89/89/947268989.db2.gz DTUKZNOUTZRSLA-SCLBCKFNSA-N 1 0 420.307 4.087 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)s1 ZINC000570718337 947333674 /nfs/dbraw/zinc/33/36/74/947333674.db2.gz WGMQQCATVVVFSG-CQSZACIVSA-N 1 0 407.923 4.212 20 5 HIBDRO CCC[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000570994492 947416290 /nfs/dbraw/zinc/41/62/90/947416290.db2.gz OKQACGXFTXZGSS-WBVHZDCISA-N 1 0 401.429 4.359 20 5 HIBDRO COc1cc(C[NH+]2CCC(CCCn3ccnc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000571078804 947476767 /nfs/dbraw/zinc/47/67/67/947476767.db2.gz DFHWXEWDHBKNNQ-UHFFFAOYSA-N 1 0 424.448 4.094 20 5 HIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000571718059 947760392 /nfs/dbraw/zinc/76/03/92/947760392.db2.gz DGEWDTUOCFASQO-CQSZACIVSA-N 1 0 407.474 4.253 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000571812629 947791916 /nfs/dbraw/zinc/79/19/16/947791916.db2.gz OYGBKKHZCCKGDK-INIZCTEOSA-N 1 0 424.238 4.203 20 5 HIBDRO Cc1ccc(-c2nc(CCN[C@@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000572066060 947838191 /nfs/dbraw/zinc/83/81/91/947838191.db2.gz YSCDZNKJIQFHSO-OAQYLSRUSA-N 1 0 417.469 4.213 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000573018457 948059459 /nfs/dbraw/zinc/05/94/59/948059459.db2.gz OZDIICSMEWMHHA-CEXWTWQISA-N 1 0 404.413 4.201 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288551 948146404 /nfs/dbraw/zinc/14/64/04/948146404.db2.gz UOHHFPXSMNWBKX-SUMWQHHRSA-N 1 0 400.422 4.459 20 5 HIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573409257 948195113 /nfs/dbraw/zinc/19/51/13/948195113.db2.gz LSVYQPHYFZVKKA-KRWDZBQOSA-N 1 0 408.239 4.285 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574108772 948366361 /nfs/dbraw/zinc/36/63/61/948366361.db2.gz VVZBPMZWZILHEC-NTKDMRAZSA-N 1 0 422.529 4.272 20 5 HIBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722515 720372883 /nfs/dbraw/zinc/37/28/83/720372883.db2.gz DBPXKONELMSZKZ-ROUUACIJSA-N 1 0 409.877 4.045 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1Cl ZINC001164791389 721493081 /nfs/dbraw/zinc/49/30/81/721493081.db2.gz CGZOFHJJISAYCW-UHFFFAOYSA-N 1 0 415.925 4.228 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165023977 721807962 /nfs/dbraw/zinc/80/79/62/721807962.db2.gz KOJWWZAXXIRCPL-CGTJXYLNSA-N 1 0 415.925 4.084 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC001165028285 721810654 /nfs/dbraw/zinc/81/06/54/721810654.db2.gz XDQJSHKZBIZYNJ-RBDMOPTHSA-N 1 0 417.513 4.275 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001165027770 721818644 /nfs/dbraw/zinc/81/86/44/721818644.db2.gz VWSMHDJHBOELSB-RCZSKKKRSA-N 1 0 417.513 4.275 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436059869 861343805 /nfs/dbraw/zinc/34/38/05/861343805.db2.gz CEBDJJKXCLIATJ-UHFFFAOYSA-N 1 0 413.521 4.452 20 5 HIBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000436136757 861429035 /nfs/dbraw/zinc/42/90/35/861429035.db2.gz TWCFMIITZVDPRC-UHFFFAOYSA-N 1 0 417.484 4.202 20 5 HIBDRO COc1ccc([C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000006330309 845191412 /nfs/dbraw/zinc/19/14/12/845191412.db2.gz AEULKFJEJWEVOH-FQEVSTJZSA-N 1 0 417.893 4.214 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436246099 861555899 /nfs/dbraw/zinc/55/58/99/861555899.db2.gz JFLCQPGTDSGJFP-ZHALLVOQSA-N 1 0 403.526 4.159 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000010917317 845726143 /nfs/dbraw/zinc/72/61/43/845726143.db2.gz DGNMBZHMEGFWSM-LJQANCHMSA-N 1 0 417.531 4.138 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1[N+](=O)[O-] ZINC000436305843 861612197 /nfs/dbraw/zinc/61/21/97/861612197.db2.gz HCCQGUIRGKAAJT-ZLPCBKJTSA-N 1 0 407.470 4.161 20 5 HIBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCc2ccccc21 ZINC000018935224 846346228 /nfs/dbraw/zinc/34/62/28/846346228.db2.gz WVNXKVDKAAYDNS-GOSISDBHSA-N 1 0 418.291 4.305 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000022700526 846606521 /nfs/dbraw/zinc/60/65/21/846606521.db2.gz KSVHDENBGPLIPG-LJQANCHMSA-N 1 0 405.882 4.070 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000436381672 861723754 /nfs/dbraw/zinc/72/37/54/861723754.db2.gz ARUFAYZBJNUUEQ-UHFFFAOYSA-N 1 0 408.424 4.154 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000025215326 846942856 /nfs/dbraw/zinc/94/28/56/846942856.db2.gz KOQJFNGAOZUTBQ-XHDPSFHLSA-N 1 0 421.906 4.411 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000025329015 846960023 /nfs/dbraw/zinc/96/00/23/846960023.db2.gz BEBQVCWSNGMNQG-NRFANRHFSA-N 1 0 424.526 4.301 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000027667643 847333596 /nfs/dbraw/zinc/33/35/96/847333596.db2.gz OHBQCECGVPIUEF-HXUWFJFHSA-N 1 0 417.893 4.214 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828882 847626911 /nfs/dbraw/zinc/62/69/11/847626911.db2.gz QQNFSJCRSJEBPT-MRXNPFEDSA-N 1 0 408.458 4.253 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)c1 ZINC000029833151 847628738 /nfs/dbraw/zinc/62/87/38/847628738.db2.gz HBCYKWZMAIVVMG-HNNXBMFYSA-N 1 0 405.414 4.166 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000030152814 847682323 /nfs/dbraw/zinc/68/23/23/847682323.db2.gz TWKYONDORCUVJG-KBXCAEBGSA-N 1 0 413.474 4.313 20 5 HIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000031621144 847919473 /nfs/dbraw/zinc/91/94/73/847919473.db2.gz XVMQWDXLPOKSQJ-UHFFFAOYSA-N 1 0 408.502 4.433 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000045789347 848728599 /nfs/dbraw/zinc/72/85/99/848728599.db2.gz QWWHCRKPNVTKIK-GOSISDBHSA-N 1 0 410.518 4.168 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226431 848807247 /nfs/dbraw/zinc/80/72/47/848807247.db2.gz XCDZJWGRXVBSLC-FQEVSTJZSA-N 1 0 416.909 4.227 20 5 HIBDRO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132338 849434518 /nfs/dbraw/zinc/43/45/18/849434518.db2.gz ZIBAIEWDGFBXLQ-WIYYLYMNSA-N 1 0 408.458 4.245 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058296717 850794687 /nfs/dbraw/zinc/79/46/87/850794687.db2.gz OBYFXEBDYCLLGA-MRXNPFEDSA-N 1 0 406.486 4.381 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437037246 862225718 /nfs/dbraw/zinc/22/57/18/862225718.db2.gz BMNDKSMPLXPTQZ-IEBWSBKVSA-N 1 0 413.543 4.056 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000063704520 851743809 /nfs/dbraw/zinc/74/38/09/851743809.db2.gz PCFDZVMIZWGEOK-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000437092906 862284935 /nfs/dbraw/zinc/28/49/35/862284935.db2.gz MRLHRFLPDKYFSS-LKCYJCQHSA-N 1 0 400.441 4.379 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000064806881 851988612 /nfs/dbraw/zinc/98/86/12/851988612.db2.gz DXCHDJCIOWMYQA-WMLDXEAASA-N 1 0 415.877 4.027 20 5 HIBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064916647 852020850 /nfs/dbraw/zinc/02/08/50/852020850.db2.gz IXQBUPFLXIBYRB-UHFFFAOYSA-N 1 0 404.536 4.158 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065102901 852064057 /nfs/dbraw/zinc/06/40/57/852064057.db2.gz LLJUVIVDMALWDU-UHFFFAOYSA-N 1 0 424.526 4.489 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[NH+](C)C)cc1 ZINC000065126636 852074128 /nfs/dbraw/zinc/07/41/28/852074128.db2.gz YXNCVRRBTQSFCX-IBGZPJMESA-N 1 0 410.499 4.059 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000065128649 852075182 /nfs/dbraw/zinc/07/51/82/852075182.db2.gz ICLXHFAYDFUUNZ-DAYGRLMNSA-N 1 0 414.531 4.196 20 5 HIBDRO C[N@H+](Cc1ccccc1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000071872626 852423343 /nfs/dbraw/zinc/42/33/43/852423343.db2.gz DAHMRXXUZPNYPU-UHFFFAOYSA-N 1 0 417.531 4.301 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)C1 ZINC000071931704 852435263 /nfs/dbraw/zinc/43/52/63/852435263.db2.gz XGFFPBPYNKAZPM-KRWDZBQOSA-N 1 0 419.485 4.265 20 5 HIBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000078714088 852525895 /nfs/dbraw/zinc/52/58/95/852525895.db2.gz OBWQLJDHARROSB-UHFFFAOYSA-N 1 0 417.513 4.233 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1 ZINC000109499813 852978103 /nfs/dbraw/zinc/97/81/03/852978103.db2.gz NMUPJRXCVWYYIR-UHFFFAOYSA-N 1 0 417.556 4.426 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000109871561 853026804 /nfs/dbraw/zinc/02/68/04/853026804.db2.gz XHXIVTYOWVNEJF-INIZCTEOSA-N 1 0 406.486 4.238 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000109981859 853040359 /nfs/dbraw/zinc/04/03/59/853040359.db2.gz PRZFKFNSJSRSAU-UHFFFAOYSA-N 1 0 424.526 4.045 20 5 HIBDRO C[NH+](C)CCc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000110868713 853159022 /nfs/dbraw/zinc/15/90/22/853159022.db2.gz HXZXCBYFBPPIMR-UHFFFAOYSA-N 1 0 424.423 4.158 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437232243 862434625 /nfs/dbraw/zinc/43/46/25/862434625.db2.gz MYLFEKYZYNHHSN-UHFFFAOYSA-N 1 0 409.408 4.338 20 5 HIBDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)c2)CC1 ZINC000139794363 853421797 /nfs/dbraw/zinc/42/17/97/853421797.db2.gz GJUGQZKWMBKIPU-UHFFFAOYSA-N 1 0 417.897 4.343 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000141353227 853469189 /nfs/dbraw/zinc/46/91/89/853469189.db2.gz LQWYNULSFFNNOL-VQIMIIECSA-N 1 0 403.866 4.087 20 5 HIBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000215713530 853836085 /nfs/dbraw/zinc/83/60/85/853836085.db2.gz OJWAZFFYIJOFEC-LJQANCHMSA-N 1 0 422.510 4.285 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000215863004 853838638 /nfs/dbraw/zinc/83/86/38/853838638.db2.gz YUAPUTWUHFXZNF-QHCPKHFHSA-N 1 0 414.465 4.271 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000217230516 853861449 /nfs/dbraw/zinc/86/14/49/853861449.db2.gz HZWBXDMDQKMWMX-GUYCJALGSA-N 1 0 411.380 4.020 20 5 HIBDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000236681465 853911392 /nfs/dbraw/zinc/91/13/92/853911392.db2.gz WNXULKADQTVKLJ-CVEARBPZSA-N 1 0 401.532 4.496 20 5 HIBDRO CC[N@@H+]1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236823712 853926740 /nfs/dbraw/zinc/92/67/40/853926740.db2.gz PBHJAUBUSAKARG-ZDUSSCGKSA-N 1 0 408.296 4.049 20 5 HIBDRO CCCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236859631 853930418 /nfs/dbraw/zinc/93/04/18/853930418.db2.gz VQGJIRHQZCQSSR-JOCHJYFZSA-N 1 0 410.518 4.482 20 5 HIBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237114219 853966360 /nfs/dbraw/zinc/96/63/60/853966360.db2.gz KIDGMQXOIMVXSM-UHFFFAOYSA-N 1 0 423.542 4.391 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237362107 854014353 /nfs/dbraw/zinc/01/43/53/854014353.db2.gz NKJPEGJTANQXQB-FQEVSTJZSA-N 1 0 422.485 4.083 20 5 HIBDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237382402 854018292 /nfs/dbraw/zinc/01/82/92/854018292.db2.gz QCQWOOIJMJVNIA-QGZVFWFLSA-N 1 0 408.502 4.334 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237384081 854019493 /nfs/dbraw/zinc/01/94/93/854019493.db2.gz ZZIAMBJXTQUFRG-QIJUGHKUSA-N 1 0 412.486 4.086 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H](C(=O)NC(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000237439005 854033456 /nfs/dbraw/zinc/03/34/56/854033456.db2.gz YSOOTHJPHBNCSC-HZPDHXFCSA-N 1 0 415.490 4.036 20 5 HIBDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000237453080 854035775 /nfs/dbraw/zinc/03/57/75/854035775.db2.gz HHWWAUJNSMHZTE-UHFFFAOYSA-N 1 0 402.497 4.017 20 5 HIBDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000237476379 854041159 /nfs/dbraw/zinc/04/11/59/854041159.db2.gz JXPAZAHIFKINEH-UHFFFAOYSA-N 1 0 421.453 4.024 20 5 HIBDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237560023 854054412 /nfs/dbraw/zinc/05/44/12/854054412.db2.gz NRFVLMKAKRXGQT-GQCTYLIASA-N 1 0 418.291 4.297 20 5 HIBDRO C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000237563300 854054978 /nfs/dbraw/zinc/05/49/78/854054978.db2.gz TWACOGXSNDOMGT-PXNSSMCTSA-N 1 0 417.513 4.162 20 5 HIBDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000237604486 854060492 /nfs/dbraw/zinc/06/04/92/854060492.db2.gz TWACOGXSNDOMGT-XLIONFOSSA-N 1 0 417.513 4.162 20 5 HIBDRO Cn1cc(C[NH2+]Cc2cccnc2OC2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237773542 854094089 /nfs/dbraw/zinc/09/40/89/854094089.db2.gz XOJLJEQJCYUWGT-UHFFFAOYSA-N 1 0 407.474 4.002 20 5 HIBDRO O=C(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCCCCC1 ZINC000237814552 854102037 /nfs/dbraw/zinc/10/20/37/854102037.db2.gz DIXVAUNDRNTBNP-UHFFFAOYSA-N 1 0 405.882 4.391 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCN(c4ccc(F)cc4F)C3)cs2)c1 ZINC000237866851 854110681 /nfs/dbraw/zinc/11/06/81/854110681.db2.gz LGCYBKOBKWLZST-HNNXBMFYSA-N 1 0 416.453 4.365 20 5 HIBDRO O=C(NCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000237880844 854113809 /nfs/dbraw/zinc/11/38/09/854113809.db2.gz AIRHFPCLIRVFPS-UHFFFAOYSA-N 1 0 415.446 4.107 20 5 HIBDRO Cn1cc(CCC[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 ZINC000237899040 854116734 /nfs/dbraw/zinc/11/67/34/854116734.db2.gz WXSBOFUMJDNXRU-UHFFFAOYSA-N 1 0 400.866 4.496 20 5 HIBDRO Cn1cc(CCC[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000237898941 854117046 /nfs/dbraw/zinc/11/70/46/854117046.db2.gz KUPHENHJSZIVTC-UHFFFAOYSA-N 1 0 400.866 4.496 20 5 HIBDRO O=C(NCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccs1 ZINC000238057817 854138646 /nfs/dbraw/zinc/13/86/46/854138646.db2.gz DMUFHFFZFOZXSL-UHFFFAOYSA-N 1 0 401.513 4.295 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c3cnccc23)C[C@H](C)O1 ZINC000301106929 854297830 /nfs/dbraw/zinc/29/78/30/854297830.db2.gz PYVGICOOFFNNAC-CALCHBBNSA-N 1 0 406.486 4.364 20 5 HIBDRO CC(C)NC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301229758 854334652 /nfs/dbraw/zinc/33/46/52/854334652.db2.gz DWPDUZWYWOBQPA-SEJPIABJSA-N 1 0 422.529 4.341 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCOCC1)c1ccccc1 ZINC000301266422 854342918 /nfs/dbraw/zinc/34/29/18/854342918.db2.gz IGFFJQUWRNISAD-QGZVFWFLSA-N 1 0 406.486 4.455 20 5 HIBDRO CC(C)n1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000301270362 854344517 /nfs/dbraw/zinc/34/45/17/854344517.db2.gz GUVJUVZUVMRZDV-LLVKDONJSA-N 1 0 415.441 4.404 20 5 HIBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000301507202 854409758 /nfs/dbraw/zinc/40/97/58/854409758.db2.gz AAYVFUFCZKJLOS-NQIIRXRSSA-N 1 0 422.529 4.296 20 5 HIBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000301547992 854418013 /nfs/dbraw/zinc/41/80/13/854418013.db2.gz PTCYFLGNHCPGGI-WMZOPIPTSA-N 1 0 410.474 4.016 20 5 HIBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3cccs3)CC2)c(Br)c1 ZINC000301572087 854422504 /nfs/dbraw/zinc/42/25/04/854422504.db2.gz XGVRMMHCFFZIFL-UHFFFAOYSA-N 1 0 411.325 4.138 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301596538 854426030 /nfs/dbraw/zinc/42/60/30/854426030.db2.gz SLHQHILXVLNSHH-AVRDEDQJSA-N 1 0 422.529 4.153 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301596540 854426582 /nfs/dbraw/zinc/42/65/82/854426582.db2.gz SLHQHILXVLNSHH-PGRDOPGGSA-N 1 0 422.529 4.153 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301630407 854433828 /nfs/dbraw/zinc/43/38/28/854433828.db2.gz BHQJTNQZGHHHHV-UHFFFAOYSA-N 1 0 405.296 4.137 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301692939 854446493 /nfs/dbraw/zinc/44/64/93/854446493.db2.gz ONGCPZCMBLWIRG-NHYWBVRUSA-N 1 0 411.325 4.309 20 5 HIBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 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/nfs/dbraw/zinc/29/71/84/855297184.db2.gz VDCOKWVYJUFHLR-UHFFFAOYSA-N 1 0 407.514 4.041 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000410155245 855841834 /nfs/dbraw/zinc/84/18/34/855841834.db2.gz AFNZMOBXVVWOEO-HDICACEKSA-N 1 0 410.518 4.072 20 5 HIBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCCC(C)C ZINC000425972762 856024617 /nfs/dbraw/zinc/02/46/17/856024617.db2.gz CAWIZAIFQQEZNY-UHFFFAOYSA-N 1 0 402.495 4.062 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(OC(F)F)ccc4ccccc43)CC2)n1 ZINC000426002329 856040215 /nfs/dbraw/zinc/04/02/15/856040215.db2.gz OSFAWAKXMIQMLG-UHFFFAOYSA-N 1 0 402.401 4.383 20 5 HIBDRO C[C@@H](NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000426135775 856130955 /nfs/dbraw/zinc/13/09/55/856130955.db2.gz IMDDDXMJBPZKSS-QGZVFWFLSA-N 1 0 412.490 4.342 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000426242417 856197483 /nfs/dbraw/zinc/19/74/83/856197483.db2.gz XIJARPIYMRUGFG-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000426254930 856204908 /nfs/dbraw/zinc/20/49/08/856204908.db2.gz GSITTWGFCGPNOP-UHFFFAOYSA-N 1 0 422.529 4.242 20 5 HIBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000426565194 856350616 /nfs/dbraw/zinc/35/06/16/856350616.db2.gz MFIHBXSAMMVVOF-INIZCTEOSA-N 1 0 401.532 4.008 20 5 HIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000427489269 856839452 /nfs/dbraw/zinc/83/94/52/856839452.db2.gz AAEGKANZIKFNRG-UHFFFAOYSA-N 1 0 408.502 4.352 20 5 HIBDRO COCC(C)(C)C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000427842567 856977441 /nfs/dbraw/zinc/97/74/41/856977441.db2.gz RWJVVKLOZNGSBY-SFHVURJKSA-N 1 0 405.882 4.190 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428556237 857264952 /nfs/dbraw/zinc/26/49/52/857264952.db2.gz CGVAPCNEFBPGPO-IBGZPJMESA-N 1 0 420.465 4.145 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)c1 ZINC000428650482 857289655 /nfs/dbraw/zinc/28/96/55/857289655.db2.gz PFWDBKLOZXOAQS-QHCPKHFHSA-N 1 0 419.481 4.061 20 5 HIBDRO C[C@H](N[C@@H](C)[C@@H]1OCCc2sccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429158648 857535094 /nfs/dbraw/zinc/53/50/94/857535094.db2.gz CRYWEJZCMNHECX-PRXAMGSTSA-N 1 0 400.460 4.059 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429282542 857589937 /nfs/dbraw/zinc/58/99/37/857589937.db2.gz CHEITSITMHGGLD-CHWSQXEVSA-N 1 0 412.471 4.102 20 5 HIBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000429426717 857661151 /nfs/dbraw/zinc/66/11/51/857661151.db2.gz NWHZEOSDFQEDAB-QAPCUYQASA-N 1 0 422.934 4.153 20 5 HIBDRO Cc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)nc(N2CCCC2)n1 ZINC000430143480 858052343 /nfs/dbraw/zinc/05/23/43/858052343.db2.gz FDWWSPWWHGQTHD-UHFFFAOYSA-N 1 0 409.515 4.312 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000430239107 858093008 /nfs/dbraw/zinc/09/30/08/858093008.db2.gz JLLDDSCNWWCLIP-UHFFFAOYSA-N 1 0 410.392 4.418 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430639457 858244098 /nfs/dbraw/zinc/24/40/98/858244098.db2.gz FRJCNZPGDUDHGK-AOIWGVFYSA-N 1 0 413.543 4.245 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431335703 858570877 /nfs/dbraw/zinc/57/08/77/858570877.db2.gz DZRVWIZYZIHHOX-LSDHHAIUSA-N 1 0 424.339 4.084 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431671302 858728500 /nfs/dbraw/zinc/72/85/00/858728500.db2.gz SWGFQQBPDZHWQK-FXAWDEMLSA-N 1 0 410.518 4.182 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431682652 858737280 /nfs/dbraw/zinc/73/72/80/858737280.db2.gz UGSZYNGKTQWZMI-LAUBAEHRSA-N 1 0 410.518 4.040 20 5 HIBDRO CC(C)(NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000431784049 858810035 /nfs/dbraw/zinc/81/00/35/858810035.db2.gz JLXCKWGUTGMQOO-UHFFFAOYSA-N 1 0 416.547 4.103 20 5 HIBDRO C[C@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 ZINC000431845476 858838102 /nfs/dbraw/zinc/83/81/02/858838102.db2.gz OVTFEVRAUJMKBO-IBGZPJMESA-N 1 0 422.529 4.354 20 5 HIBDRO C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432414837 859154196 /nfs/dbraw/zinc/15/41/96/859154196.db2.gz MNQMXBRJBZMAIM-IAGOWNOFSA-N 1 0 403.548 4.475 20 5 HIBDRO CC1(C)C[C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153740 859543780 /nfs/dbraw/zinc/54/37/80/859543780.db2.gz QQDHXLBSFAXJSU-RBUKOAKNSA-N 1 0 401.532 4.042 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000433178954 859556750 /nfs/dbraw/zinc/55/67/50/859556750.db2.gz SIPUDTAOJIKGPX-QRQCRPRQSA-N 1 0 423.513 4.325 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433303901 859627435 /nfs/dbraw/zinc/62/74/35/859627435.db2.gz MDMXNRAKHLNACE-HNNXBMFYSA-N 1 0 403.866 4.075 20 5 HIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433307136 859629384 /nfs/dbraw/zinc/62/93/84/859629384.db2.gz UNNPNKLJFMFWPL-PGRDOPGGSA-N 1 0 407.514 4.141 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000467700759 881495462 /nfs/dbraw/zinc/49/54/62/881495462.db2.gz NOODGPZGMGPWSC-CJNGLKHVSA-N 1 0 407.392 4.006 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)nc2c1 ZINC000434832240 860511879 /nfs/dbraw/zinc/51/18/79/860511879.db2.gz CQGOUSHAORYIKU-UHFFFAOYSA-N 1 0 402.454 4.207 20 5 HIBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000467772066 881590836 /nfs/dbraw/zinc/59/08/36/881590836.db2.gz YEPRPFWDJHKUPN-QGZVFWFLSA-N 1 0 402.882 4.377 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437918775 863295564 /nfs/dbraw/zinc/29/55/64/863295564.db2.gz BVZCIUNWSWUDRV-UHFFFAOYSA-N 1 0 422.529 4.242 20 5 HIBDRO C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000438556128 863987881 /nfs/dbraw/zinc/98/78/81/863987881.db2.gz FZAWQOPLUFCMKP-QGZVFWFLSA-N 1 0 410.518 4.188 20 5 HIBDRO CC(C)CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438844333 864338767 /nfs/dbraw/zinc/33/87/67/864338767.db2.gz XPSTUMABDDDLEB-INIZCTEOSA-N 1 0 415.321 4.007 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000438955835 864426803 /nfs/dbraw/zinc/42/68/03/864426803.db2.gz VCNFTOKIPAXPAU-NRFANRHFSA-N 1 0 401.894 4.341 20 5 HIBDRO Cc1c(CC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000438994323 864453117 /nfs/dbraw/zinc/45/31/17/864453117.db2.gz LXQWUERXQSQJIO-UHFFFAOYSA-N 1 0 423.557 4.297 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000439299167 864723227 /nfs/dbraw/zinc/72/32/27/864723227.db2.gz PBAHWDDHCMZBLG-OXQOHEQNSA-N 1 0 406.523 4.419 20 5 HIBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1(C)C ZINC000439510081 864857590 /nfs/dbraw/zinc/85/75/90/864857590.db2.gz FWIDPTQBEAELLW-QRVBRYPASA-N 1 0 417.893 4.331 20 5 HIBDRO CC(C)c1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000439520729 864862193 /nfs/dbraw/zinc/86/21/93/864862193.db2.gz VBMJJZPRGFAUGW-UHFFFAOYSA-N 1 0 411.502 4.175 20 5 HIBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000439629550 864954994 /nfs/dbraw/zinc/95/49/94/864954994.db2.gz AINXZHULPVOINC-ZHNGQKSSSA-N 1 0 423.513 4.376 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000439869683 865177629 /nfs/dbraw/zinc/17/76/29/865177629.db2.gz JYAWNBHOTLZTMO-QGZVFWFLSA-N 1 0 412.490 4.122 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000439933460 865233569 /nfs/dbraw/zinc/23/35/69/865233569.db2.gz PVSSYMCZNRVTRF-MRXNPFEDSA-N 1 0 404.492 4.014 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000439935070 865234676 /nfs/dbraw/zinc/23/46/76/865234676.db2.gz UAGUWLKFJCVCDS-MRXNPFEDSA-N 1 0 412.490 4.341 20 5 HIBDRO COc1ccc(OCC[N@H+](C)Cc2ccccc2OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000441246750 866319518 /nfs/dbraw/zinc/31/95/18/866319518.db2.gz PZTPEMAYRVLMBG-UHFFFAOYSA-N 1 0 400.353 4.013 20 5 HIBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000441265044 866340395 /nfs/dbraw/zinc/34/03/95/866340395.db2.gz YYPDKGYFUVGBPK-UHFFFAOYSA-N 1 0 400.353 4.013 20 5 HIBDRO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000443012703 867792700 /nfs/dbraw/zinc/79/27/00/867792700.db2.gz UAPWOXCCQXTEEI-HVMDOBLNSA-N 1 0 401.466 4.448 20 5 HIBDRO C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000443221765 867880071 /nfs/dbraw/zinc/88/00/71/867880071.db2.gz HHIQKJISSGUATO-GRYCIOLGSA-N 1 0 409.284 4.265 20 5 HIBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000443340168 867913001 /nfs/dbraw/zinc/91/30/01/867913001.db2.gz ABDCELXYRSVHEV-SNVBAGLBSA-N 1 0 401.282 4.157 20 5 HIBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 ZINC000443650899 868245983 /nfs/dbraw/zinc/24/59/83/868245983.db2.gz JJCCKYUEZATDRK-AWEZNQCLSA-N 1 0 415.421 4.142 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000443974710 868503540 /nfs/dbraw/zinc/50/35/40/868503540.db2.gz WCZJJYUPMFDVET-HXUWFJFHSA-N 1 0 414.506 4.425 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444178420 868652460 /nfs/dbraw/zinc/65/24/60/868652460.db2.gz AHJRMRNDXSUVMT-GHTZIAJQSA-N 1 0 405.542 4.312 20 5 HIBDRO CC1CCC([N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]2CCCO2)CC1 ZINC000444196471 868660414 /nfs/dbraw/zinc/66/04/14/868660414.db2.gz MUDPDGJDHOZUCV-GXOAENINSA-N 1 0 400.479 4.205 20 5 HIBDRO COC[C@@H](C)n1c(C)cc(C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000444255222 868701326 /nfs/dbraw/zinc/70/13/26/868701326.db2.gz YPOIXTXHFNZSRJ-QGZVFWFLSA-N 1 0 401.507 4.314 20 5 HIBDRO C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444307855 868739928 /nfs/dbraw/zinc/73/99/28/868739928.db2.gz MGKXBGFMBZBIGH-SJLPKXTDSA-N 1 0 403.526 4.064 20 5 HIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000444673662 868950290 /nfs/dbraw/zinc/95/02/90/868950290.db2.gz IPMFKYOVNXTSTN-GFCCVEGCSA-N 1 0 403.389 4.019 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000444735589 868983552 /nfs/dbraw/zinc/98/35/52/868983552.db2.gz MGFFBWXVZHATRE-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000444803073 869017011 /nfs/dbraw/zinc/01/70/11/869017011.db2.gz NCVADBZIVTYYBG-IRXDYDNUSA-N 1 0 416.522 4.141 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445172308 869258398 /nfs/dbraw/zinc/25/83/98/869258398.db2.gz KCEBHXOAYBUIEL-FGTMMUONSA-N 1 0 403.526 4.159 20 5 HIBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000445176110 869260618 /nfs/dbraw/zinc/26/06/18/869260618.db2.gz DKGZXAUTHXQNFJ-LJQANCHMSA-N 1 0 417.553 4.410 20 5 HIBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000445190069 869267497 /nfs/dbraw/zinc/26/74/97/869267497.db2.gz KBPRBPWNNBGXQQ-UHFFFAOYSA-N 1 0 417.553 4.410 20 5 HIBDRO CC[N@H+](Cc1ccc(-c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)cc1)C1CC1 ZINC000445584592 869645171 /nfs/dbraw/zinc/64/51/71/869645171.db2.gz RPYIIMXEQWCFMK-UHFFFAOYSA-N 1 0 408.458 4.229 20 5 HIBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000446478749 870391673 /nfs/dbraw/zinc/39/16/73/870391673.db2.gz YIWATLCZLLYLTA-UHFFFAOYSA-N 1 0 411.527 4.350 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cc(Cl)ccc2OC(F)F)n1 ZINC000447526589 871391108 /nfs/dbraw/zinc/39/11/08/871391108.db2.gz DCSYIZCDYRKPPB-UONOGXRCSA-N 1 0 400.813 4.320 20 5 HIBDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447530065 871395645 /nfs/dbraw/zinc/39/56/45/871395645.db2.gz NDSLVARWRYMRRC-FOIQADDNSA-N 1 0 400.475 4.357 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cc(Br)ccc2F)n1 ZINC000447531053 871396812 /nfs/dbraw/zinc/39/68/12/871396812.db2.gz OGWWCXVMOGXOAO-HOTGVXAUSA-N 1 0 411.275 4.009 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1)C1CCCC1 ZINC000447532492 871398220 /nfs/dbraw/zinc/39/82/20/871398220.db2.gz WKOOBFOSEHHVHR-WOJBJXKFSA-N 1 0 411.506 4.194 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)n1 ZINC000447537458 871400987 /nfs/dbraw/zinc/40/09/87/871400987.db2.gz WBWYNQFEGOWSTK-WOJBJXKFSA-N 1 0 411.437 4.391 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)n1 ZINC000447542842 871407245 /nfs/dbraw/zinc/40/72/45/871407245.db2.gz QIKCCWWFIHOVBN-RTBURBONSA-N 1 0 411.437 4.391 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 ZINC000447540082 871408528 /nfs/dbraw/zinc/40/85/28/871408528.db2.gz ISFXFSWRICEBKC-GGUMNFRJSA-N 1 0 409.530 4.371 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccnc(OCc3ccccc3)c2)n1 ZINC000447545010 871410280 /nfs/dbraw/zinc/41/02/80/871410280.db2.gz QEAFOCFRMPOHHJ-PMACEKPBSA-N 1 0 407.474 4.039 20 5 HIBDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447545478 871416005 /nfs/dbraw/zinc/41/60/05/871416005.db2.gz XCYVBFSDBOXYEW-MSOLQXFVSA-N 1 0 400.479 4.020 20 5 HIBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(OCC(F)(F)F)c1 ZINC000447584778 871490644 /nfs/dbraw/zinc/49/06/44/871490644.db2.gz HHDKCMUTWGTUER-HOTGVXAUSA-N 1 0 412.412 4.314 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC1CC[NH+](C2CCCC2)CC1 ZINC000447669008 871600466 /nfs/dbraw/zinc/60/04/66/871600466.db2.gz IKIMEMXHPFUKTC-UHFFFAOYSA-N 1 0 408.371 4.463 20 5 HIBDRO 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 871606490 /nfs/dbraw/zinc/60/64/90/871606490.db2.gz YIOUMKKKOVTHFM-XQQFMLRXSA-N 1 0 422.398 4.486 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447674018 871606589 /nfs/dbraw/zinc/60/65/89/871606589.db2.gz YIOUMKKKOVTHFM-JHJVBQTASA-N 1 0 422.398 4.486 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccccc1-n1ccnc1 ZINC000447690867 871623708 /nfs/dbraw/zinc/62/37/08/871623708.db2.gz MBLPSYNKRADNLV-UHFFFAOYSA-N 1 0 413.306 4.442 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000447726385 871673758 /nfs/dbraw/zinc/67/37/58/871673758.db2.gz GOAQLHCZSDPEDM-MLGOLLRUSA-N 1 0 419.865 4.039 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000447797851 871733935 /nfs/dbraw/zinc/73/39/35/871733935.db2.gz OIOUPSIZPVGDTM-UGSOOPFHSA-N 1 0 405.907 4.271 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448257433 872182233 /nfs/dbraw/zinc/18/22/33/872182233.db2.gz VCCVBYJMUWRTLK-RHSMWYFYSA-N 1 0 421.419 4.254 20 5 HIBDRO C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448353492 872301675 /nfs/dbraw/zinc/30/16/75/872301675.db2.gz GYXCMPYDDYUISC-MRXNPFEDSA-N 1 0 416.449 4.296 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000460494828 873180321 /nfs/dbraw/zinc/18/03/21/873180321.db2.gz ZCCRDVHKFRKQIC-NYVOZVTQSA-N 1 0 422.529 4.128 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000468650944 882786766 /nfs/dbraw/zinc/78/67/66/882786766.db2.gz JJQAUWCZUKBQLE-ATVHPVEESA-N 1 0 402.454 4.435 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000461411762 874428151 /nfs/dbraw/zinc/42/81/51/874428151.db2.gz RUZWVNKULPBJRA-LJQANCHMSA-N 1 0 420.893 4.308 20 5 HIBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cccc21 ZINC000468755956 882844942 /nfs/dbraw/zinc/84/49/42/882844942.db2.gz AKDFVRGMLRQCPH-MRXNPFEDSA-N 1 0 409.364 4.251 20 5 HIBDRO COc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000461602555 874734681 /nfs/dbraw/zinc/73/46/81/874734681.db2.gz MOKOPJCLDYONRM-UHFFFAOYSA-N 1 0 423.513 4.264 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1[N+](=O)[O-] ZINC000468841970 882886317 /nfs/dbraw/zinc/88/63/17/882886317.db2.gz FUGFPLMVOMSHAS-CQSZACIVSA-N 1 0 415.881 4.387 20 5 HIBDRO Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461950100 875080818 /nfs/dbraw/zinc/08/08/18/875080818.db2.gz SFLWXJPQAHLUDU-FUHWJXTLSA-N 1 0 401.429 4.102 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551165 875675798 /nfs/dbraw/zinc/67/57/98/875675798.db2.gz MKLDRZZLRSQUFK-IERDGZPVSA-N 1 0 408.527 4.328 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000462557343 875682531 /nfs/dbraw/zinc/68/25/31/875682531.db2.gz UNCDZDHNMRYKOG-NFBKMPQASA-N 1 0 418.497 4.495 20 5 HIBDRO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)c1 ZINC000462820612 875860395 /nfs/dbraw/zinc/86/03/95/875860395.db2.gz VPLWDNBIBNTBNC-CQSZACIVSA-N 1 0 407.417 4.088 20 5 HIBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000462859171 875892257 /nfs/dbraw/zinc/89/22/57/875892257.db2.gz CJPBAHQWWQZNNP-PXNSSMCTSA-N 1 0 410.518 4.322 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000462926875 875955798 /nfs/dbraw/zinc/95/57/98/875955798.db2.gz LNOJEGFTKCAGIV-NHCUHLMSSA-N 1 0 401.551 4.134 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000462929567 875957959 /nfs/dbraw/zinc/95/79/59/875957959.db2.gz RRQLXIHZDVMQDH-JOCHJYFZSA-N 1 0 409.530 4.192 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000462933737 875961306 /nfs/dbraw/zinc/96/13/06/875961306.db2.gz WUXIAEWLAVGTHY-LJQANCHMSA-N 1 0 415.559 4.253 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462997046 876010599 /nfs/dbraw/zinc/01/05/99/876010599.db2.gz PGRZUMBSACSHHO-LEWJYISDSA-N 1 0 401.551 4.278 20 5 HIBDRO O=C(C[NH2+][C@H]1CCCCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000463442525 876501051 /nfs/dbraw/zinc/50/10/51/876501051.db2.gz UWAPFUBALRTKFY-INIZCTEOSA-N 1 0 410.312 4.388 20 5 HIBDRO COc1cccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[NH+]2CCCC2)c1 ZINC000463973818 877100797 /nfs/dbraw/zinc/10/07/97/877100797.db2.gz HITWMFAGDCEBLZ-NRFANRHFSA-N 1 0 412.490 4.179 20 5 HIBDRO COc1cc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])cc1F ZINC000464104518 877260993 /nfs/dbraw/zinc/26/09/93/877260993.db2.gz MWGJJQQTFRZDNZ-UHFFFAOYSA-N 1 0 416.428 4.336 20 5 HIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779243 878023164 /nfs/dbraw/zinc/02/31/64/878023164.db2.gz UIOROIHXWWPLNW-ZBFHGGJFSA-N 1 0 420.560 4.263 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464873054 878159311 /nfs/dbraw/zinc/15/93/11/878159311.db2.gz GYPGWPAPJSNJSL-UHFFFAOYSA-N 1 0 413.449 4.251 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1 ZINC000465183113 878572042 /nfs/dbraw/zinc/57/20/42/878572042.db2.gz HERRUPDSAJYHLY-HNNXBMFYSA-N 1 0 415.515 4.290 20 5 HIBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000465265134 878695310 /nfs/dbraw/zinc/69/53/10/878695310.db2.gz HJWPRONLNAJOHT-UHFFFAOYSA-N 1 0 405.542 4.351 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000465640179 879156890 /nfs/dbraw/zinc/15/68/90/879156890.db2.gz QQODVLLBQCJBOT-UYAOXDASSA-N 1 0 410.518 4.209 20 5 HIBDRO COC[C@H]1CCCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320740 881067766 /nfs/dbraw/zinc/06/77/66/881067766.db2.gz DMKJMJWEVUJPAR-AVRDEDQJSA-N 1 0 411.502 4.332 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467412690 881199303 /nfs/dbraw/zinc/19/93/03/881199303.db2.gz JQSBTRQOGQRACZ-INIZCTEOSA-N 1 0 403.910 4.196 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)C1CC1 ZINC000467413917 881200654 /nfs/dbraw/zinc/20/06/54/881200654.db2.gz OWTUJSTTYGIDGA-FQEVSTJZSA-N 1 0 415.921 4.196 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000467450304 881253884 /nfs/dbraw/zinc/25/38/84/881253884.db2.gz UTZYZIDNSFGQAN-PBHICJAKSA-N 1 0 409.408 4.432 20 5 HIBDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(-n2cc(Cl)cn2)n1 ZINC000469103615 883194788 /nfs/dbraw/zinc/19/47/88/883194788.db2.gz ZLMILMAYZPMUMO-IBGZPJMESA-N 1 0 411.893 4.248 20 5 HIBDRO C[C@@H]([NH2+]C1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000503707062 912803887 /nfs/dbraw/zinc/80/38/87/912803887.db2.gz GYIFBAKUPAONFB-GOSISDBHSA-N 1 0 410.518 4.400 20 5 HIBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000470152713 884421368 /nfs/dbraw/zinc/42/13/68/884421368.db2.gz NYTDOAYLNQQNKV-JOCHJYFZSA-N 1 0 412.465 4.254 20 5 HIBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000470151907 884421943 /nfs/dbraw/zinc/42/19/43/884421943.db2.gz KNQNPCDXAVECGZ-UHFFFAOYSA-N 1 0 406.845 4.173 20 5 HIBDRO CC(C)[NH+](CCCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(C)C ZINC000470236612 884563869 /nfs/dbraw/zinc/56/38/69/884563869.db2.gz HQGIDFCNLFIDHD-SFHVURJKSA-N 1 0 404.555 4.070 20 5 HIBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000470238449 884567380 /nfs/dbraw/zinc/56/73/80/884567380.db2.gz VGFMIIKOLOZGHM-GOSISDBHSA-N 1 0 409.486 4.191 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000470979578 885481018 /nfs/dbraw/zinc/48/10/18/885481018.db2.gz LOJPGVILMOBLKS-PKOBYXMFSA-N 1 0 411.502 4.119 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471288184 885872732 /nfs/dbraw/zinc/87/27/32/885872732.db2.gz QUSPGLHOVPCOAK-SFHVURJKSA-N 1 0 413.543 4.349 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(OCc3ccccn3)cc2)n1 ZINC000472634051 887498676 /nfs/dbraw/zinc/49/86/76/887498676.db2.gz ABVXBXLNOAQDKK-LEWJYISDSA-N 1 0 407.474 4.039 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473503477 888229368 /nfs/dbraw/zinc/22/93/68/888229368.db2.gz HAVZDMOWZOPTMA-JOCHJYFZSA-N 1 0 413.905 4.377 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000474366491 889244780 /nfs/dbraw/zinc/24/47/80/889244780.db2.gz FMPFRUUMZAVNCY-GFCCVEGCSA-N 1 0 412.364 4.016 20 5 HIBDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccncc1 ZINC000475092654 889938676 /nfs/dbraw/zinc/93/86/76/889938676.db2.gz FDCWFAKKVRXDMD-NRFANRHFSA-N 1 0 411.483 4.286 20 5 HIBDRO CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475170949 890036953 /nfs/dbraw/zinc/03/69/53/890036953.db2.gz BLSQQRLFQXDVPJ-GHTZIAJQSA-N 1 0 410.518 4.270 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000475221744 890089891 /nfs/dbraw/zinc/08/98/91/890089891.db2.gz ZHTUJGAKJCWVKM-UHFFFAOYSA-N 1 0 400.401 4.096 20 5 HIBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC1 ZINC000475435171 890354807 /nfs/dbraw/zinc/35/48/07/890354807.db2.gz RJWLPYPGZJSJIK-UHFFFAOYSA-N 1 0 424.906 4.097 20 5 HIBDRO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000475624210 890559121 /nfs/dbraw/zinc/55/91/21/890559121.db2.gz LSFZFOLIOFEJGU-UHFFFAOYSA-N 1 0 418.515 4.115 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000475630899 890570730 /nfs/dbraw/zinc/57/07/30/890570730.db2.gz KHUICZXEOAKDIA-FQEVSTJZSA-N 1 0 406.866 4.278 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475701951 890640396 /nfs/dbraw/zinc/64/03/96/890640396.db2.gz NDFOEISROJESPL-GFCCVEGCSA-N 1 0 401.394 4.168 20 5 HIBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476181163 891113368 /nfs/dbraw/zinc/11/33/68/891113368.db2.gz OGRUUSGETDJILS-QFBILLFUSA-N 1 0 410.474 4.478 20 5 HIBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476181164 891113449 /nfs/dbraw/zinc/11/34/49/891113449.db2.gz OGRUUSGETDJILS-VQIMIIECSA-N 1 0 410.474 4.478 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000476984853 891910652 /nfs/dbraw/zinc/91/06/52/891910652.db2.gz NCSHXYKMZJWWRF-KRWDZBQOSA-N 1 0 413.522 4.121 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000477015820 891942883 /nfs/dbraw/zinc/94/28/83/891942883.db2.gz YPCNYNJVMUBHLT-KBPBESRZSA-N 1 0 405.882 4.319 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccccc2OC)N2CCCC2)cc1[N+](=O)[O-] ZINC000504888126 913619498 /nfs/dbraw/zinc/61/94/98/913619498.db2.gz NJVKKBRWGOZCAU-LAUBAEHRSA-N 1 0 413.518 4.490 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CC2(N3CCC(OC)CC3)CCCC2)cc1[N+](=O)[O-] ZINC000504905445 913639194 /nfs/dbraw/zinc/63/91/94/913639194.db2.gz IQQFAASPDWKCRA-KRWDZBQOSA-N 1 0 405.539 4.068 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2cccc(C)c2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504906354 913640352 /nfs/dbraw/zinc/64/03/52/913640352.db2.gz WXURVKKXJHSNOT-PGRDOPGGSA-N 1 0 413.518 4.026 20 5 HIBDRO COc1cccc([C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000477304643 892265926 /nfs/dbraw/zinc/26/59/26/892265926.db2.gz CUWRKBZMIVSTBF-LJQANCHMSA-N 1 0 417.893 4.132 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000504911103 913645318 /nfs/dbraw/zinc/64/53/18/913645318.db2.gz AMDZVPUSJNDGKK-HTAPYJJXSA-N 1 0 413.518 4.490 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000504911073 913645327 /nfs/dbraw/zinc/64/53/27/913645327.db2.gz AEOSPFRXGUPSGQ-QGZVFWFLSA-N 1 0 411.502 4.257 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000504920314 913656096 /nfs/dbraw/zinc/65/60/96/913656096.db2.gz NINIQIWKKOJRSH-KRWDZBQOSA-N 1 0 411.502 4.197 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000504920315 913656718 /nfs/dbraw/zinc/65/67/18/913656718.db2.gz NINIQIWKKOJRSH-QGZVFWFLSA-N 1 0 411.502 4.197 20 5 HIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478045686 893188431 /nfs/dbraw/zinc/18/84/31/893188431.db2.gz HHZUYYHIRLJVAI-QGZVFWFLSA-N 1 0 402.520 4.260 20 5 HIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000478063728 893224063 /nfs/dbraw/zinc/22/40/63/893224063.db2.gz TVDKLRHSVXFICA-QGZVFWFLSA-N 1 0 402.520 4.260 20 5 HIBDRO CC1(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 ZINC000479413228 894721751 /nfs/dbraw/zinc/72/17/51/894721751.db2.gz AGZLGHWVOOEDDA-KRWDZBQOSA-N 1 0 418.291 4.427 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000479477063 894800454 /nfs/dbraw/zinc/80/04/54/894800454.db2.gz RJGZTBCOFVRSBI-IGEOTXOUSA-N 1 0 415.456 4.449 20 5 HIBDRO CCOc1ccc([C@@H](C)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000479509727 894823202 /nfs/dbraw/zinc/82/32/02/894823202.db2.gz COAHKDDLKUVVHN-IUODEOHRSA-N 1 0 414.380 4.276 20 5 HIBDRO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000479629948 894896794 /nfs/dbraw/zinc/89/67/94/894896794.db2.gz VYOLIXHNJOCPAS-YLJYHZDGSA-N 1 0 411.502 4.209 20 5 HIBDRO Cc1c(CNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000479727425 895026317 /nfs/dbraw/zinc/02/63/17/895026317.db2.gz BSFJBLWAXXECDU-XLIONFOSSA-N 1 0 410.518 4.003 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505297476 913955421 /nfs/dbraw/zinc/95/54/21/913955421.db2.gz HXOQOPLRENYQDP-INIZCTEOSA-N 1 0 423.941 4.130 20 5 HIBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000480084909 895446969 /nfs/dbraw/zinc/44/69/69/895446969.db2.gz RIBJRSDHZDVSSP-UHFFFAOYSA-N 1 0 403.486 4.012 20 5 HIBDRO Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481661186 897045283 /nfs/dbraw/zinc/04/52/83/897045283.db2.gz RWTMVDZVKIEISY-UHFFFAOYSA-N 1 0 410.518 4.005 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000481684568 897068357 /nfs/dbraw/zinc/06/83/57/897068357.db2.gz KOMUJYSZYQPDGV-GOSISDBHSA-N 1 0 410.518 4.088 20 5 HIBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481861300 897229089 /nfs/dbraw/zinc/22/90/89/897229089.db2.gz DIRFDQRPHPKVCS-UWJYYQICSA-N 1 0 413.905 4.375 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481893019 897270233 /nfs/dbraw/zinc/27/02/33/897270233.db2.gz SHPGTWRCIYFYSB-FYYLOGMGSA-N 1 0 407.514 4.041 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000481983367 897377445 /nfs/dbraw/zinc/37/74/45/897377445.db2.gz KTUJQHXOSGIZJS-QUCCMNQESA-N 1 0 408.502 4.076 20 5 HIBDRO O=C(Nc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)c1cccnc1 ZINC000482129930 897587439 /nfs/dbraw/zinc/58/74/39/897587439.db2.gz CMTYBEQTMVLVMY-QFIPXVFZSA-N 1 0 416.481 4.353 20 5 HIBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141623 897600064 /nfs/dbraw/zinc/60/00/64/897600064.db2.gz KCJBIMWJBYIEDD-LAUBAEHRSA-N 1 0 423.517 4.452 20 5 HIBDRO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482281418 897775081 /nfs/dbraw/zinc/77/50/81/897775081.db2.gz DVUXMTWAMZZTEF-HARLFGEKSA-N 1 0 422.529 4.352 20 5 HIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505502997 914191231 /nfs/dbraw/zinc/19/12/31/914191231.db2.gz JRVPJKQLZUVVOR-QVKFZJNVSA-N 1 0 422.428 4.115 20 5 HIBDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482818938 898428363 /nfs/dbraw/zinc/42/83/63/898428363.db2.gz QPNVCEMXUVXDNW-HNNXBMFYSA-N 1 0 420.494 4.212 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000483120982 898809116 /nfs/dbraw/zinc/80/91/16/898809116.db2.gz NROSBOQISCSRLN-UHFFFAOYSA-N 1 0 417.506 4.240 20 5 HIBDRO CC1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000483400470 899034173 /nfs/dbraw/zinc/03/41/73/899034173.db2.gz CIQMHRJRCPSVQF-UHFFFAOYSA-N 1 0 401.894 4.167 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000483435571 899067823 /nfs/dbraw/zinc/06/78/23/899067823.db2.gz GKOLWCNRGNXVBQ-OAHLLOKOSA-N 1 0 414.449 4.219 20 5 HIBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000483731719 899392025 /nfs/dbraw/zinc/39/20/25/899392025.db2.gz PWSIGIMMVGPVIG-VAMGGRTRSA-N 1 0 417.893 4.475 20 5 HIBDRO C[C@@H](NC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1)c1ccccc1 ZINC000484145550 899767053 /nfs/dbraw/zinc/76/70/53/899767053.db2.gz MYFXILASWRKAFM-AUSIDOKSSA-N 1 0 423.557 4.406 20 5 HIBDRO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484655025 900099419 /nfs/dbraw/zinc/09/94/19/900099419.db2.gz YJRJCFYKEMBOSG-QUCCMNQESA-N 1 0 408.458 4.433 20 5 HIBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000485252336 900538357 /nfs/dbraw/zinc/53/83/57/900538357.db2.gz BDDVNDKCHHUEJP-MRXNPFEDSA-N 1 0 406.280 4.427 20 5 HIBDRO CSc1cccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000485494046 900784449 /nfs/dbraw/zinc/78/44/49/900784449.db2.gz RDGDNNBUXZDWSZ-INIZCTEOSA-N 1 0 405.564 4.433 20 5 HIBDRO CSc1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517396 900801606 /nfs/dbraw/zinc/80/16/06/900801606.db2.gz SCZAXIMEYMJSKP-DOTOQJQBSA-N 1 0 423.897 4.284 20 5 HIBDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1F ZINC000485718260 900967647 /nfs/dbraw/zinc/96/76/47/900967647.db2.gz RXPUUYMXPZMIQU-KRWDZBQOSA-N 1 0 413.493 4.440 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 ZINC000485769468 901026160 /nfs/dbraw/zinc/02/61/60/901026160.db2.gz WLDXYBAWBDCRQO-UHFFFAOYSA-N 1 0 403.504 4.290 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000486045409 901245872 /nfs/dbraw/zinc/24/58/72/901245872.db2.gz NLNXSUBWFNCDCM-KRWDZBQOSA-N 1 0 403.504 4.175 20 5 HIBDRO CSc1cccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1[N+](=O)[O-] ZINC000486239349 901421869 /nfs/dbraw/zinc/42/18/69/901421869.db2.gz KSHHBYXJIBQPIU-UHFFFAOYSA-N 1 0 417.556 4.160 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000486675845 901789968 /nfs/dbraw/zinc/78/99/68/901789968.db2.gz MMGSOOCHRQQPLP-UHFFFAOYSA-N 1 0 419.572 4.410 20 5 HIBDRO CSc1cc2c(cc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)OCCO2 ZINC000487187847 902093288 /nfs/dbraw/zinc/09/32/88/902093288.db2.gz FDLVJSJHAWTISC-UHFFFAOYSA-N 1 0 414.405 4.397 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc(C(F)(F)F)c1 ZINC000487192409 902096397 /nfs/dbraw/zinc/09/63/97/902096397.db2.gz MFTCUAQMTGJYMF-UHFFFAOYSA-N 1 0 402.756 4.328 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487516292 902231255 /nfs/dbraw/zinc/23/12/55/902231255.db2.gz HTXZIRGUGZEBRG-KDOFPFPSSA-N 1 0 402.882 4.280 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)CC1 ZINC000487811739 902380924 /nfs/dbraw/zinc/38/09/24/902380924.db2.gz XWMVDXNGESOVAB-UHFFFAOYSA-N 1 0 413.440 4.387 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487847062 902404846 /nfs/dbraw/zinc/40/48/46/902404846.db2.gz ZLPORBVAYRGVEI-UEXGIBASSA-N 1 0 410.518 4.174 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488458397 902835429 /nfs/dbraw/zinc/83/54/29/902835429.db2.gz BZGDFZYJNMVWMY-HNAYVOBHSA-N 1 0 409.511 4.450 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000489319519 903329884 /nfs/dbraw/zinc/32/98/84/903329884.db2.gz GZFOQGHJUSYSFE-DNVCBOLYSA-N 1 0 416.547 4.274 20 5 HIBDRO CC[N@H+](CC(C)(C)O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489321724 903330663 /nfs/dbraw/zinc/33/06/63/903330663.db2.gz BZADTOUCYCAIMH-GOSISDBHSA-N 1 0 405.882 4.021 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000489600618 903490443 /nfs/dbraw/zinc/49/04/43/903490443.db2.gz VFZUDDQGCVAUKY-LAUBAEHRSA-N 1 0 413.543 4.337 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000489605461 903494238 /nfs/dbraw/zinc/49/42/38/903494238.db2.gz BNNYETJIZCRJBG-MSOLQXFVSA-N 1 0 410.518 4.489 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000489916892 903671970 /nfs/dbraw/zinc/67/19/70/903671970.db2.gz WESLUFBIUAIWKG-YJBOKZPZSA-N 1 0 402.520 4.162 20 5 HIBDRO C[NH+](C)CCOc1cccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000490135206 903784670 /nfs/dbraw/zinc/78/46/70/903784670.db2.gz FYLZXYIQNAYHAV-XMMPIXPASA-N 1 0 405.498 4.414 20 5 HIBDRO COc1cc(CNc2cc(C[NH+](C)C)ccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491016589 904369245 /nfs/dbraw/zinc/36/92/45/904369245.db2.gz CUGUIZPUEPOYFJ-UHFFFAOYSA-N 1 0 409.433 4.229 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000491142556 904453404 /nfs/dbraw/zinc/45/34/04/904453404.db2.gz ZOYXLFOQRKDOLI-KRWDZBQOSA-N 1 0 405.564 4.147 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491239802 904498159 /nfs/dbraw/zinc/49/81/59/904498159.db2.gz PWIMIOPTGNMCBS-LBPRGKRZSA-N 1 0 413.446 4.083 20 5 HIBDRO Cn1cc(C[N@H+](C)Cc2ccccc2N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506139479 914819752 /nfs/dbraw/zinc/81/97/52/914819752.db2.gz ZLFAMPMGNMFWAH-UHFFFAOYSA-N 1 0 405.502 4.228 20 5 HIBDRO C[C@H](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000491334446 904544641 /nfs/dbraw/zinc/54/46/41/904544641.db2.gz UGJPNLJPJXBMEQ-GOSISDBHSA-N 1 0 410.518 4.179 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)c2ccccc2)c1 ZINC000491356261 904553084 /nfs/dbraw/zinc/55/30/84/904553084.db2.gz LEMWFWXVLJTVIM-JWQCQUIFSA-N 1 0 417.509 4.347 20 5 HIBDRO Cc1ccc([C@@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000491421907 904587649 /nfs/dbraw/zinc/58/76/49/904587649.db2.gz FUFUEBDVGWRFJS-ISKFKSNPSA-N 1 0 421.497 4.249 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cc4ccccc4n(C)c3=O)o2)c([N+](=O)[O-])c1 ZINC000491459131 904607026 /nfs/dbraw/zinc/60/70/26/904607026.db2.gz PGGXXXNBFFUUCC-UHFFFAOYSA-N 1 0 419.437 4.005 20 5 HIBDRO CSc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000492727204 904894457 /nfs/dbraw/zinc/89/44/57/904894457.db2.gz HBAKGEPLGIMJIS-CQSZACIVSA-N 1 0 405.545 4.020 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)ccc1[N+](=O)[O-] ZINC000492913660 904950861 /nfs/dbraw/zinc/95/08/61/904950861.db2.gz UYUIARNGEMVCKX-GFCCVEGCSA-N 1 0 401.410 4.458 20 5 HIBDRO CC(=O)N1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000506247642 914862649 /nfs/dbraw/zinc/86/26/49/914862649.db2.gz KVIOCKSHOOAYQN-UHFFFAOYSA-N 1 0 403.866 4.095 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000493030965 904994698 /nfs/dbraw/zinc/99/46/98/904994698.db2.gz HNGVWMCYLWUGRB-OAHLLOKOSA-N 1 0 420.460 4.016 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000493105305 905020506 /nfs/dbraw/zinc/02/05/06/905020506.db2.gz LPNLINTZXCXEKG-RTBURBONSA-N 1 0 402.539 4.118 20 5 HIBDRO C[C@]1(CO)CCC[C@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000493653163 905181737 /nfs/dbraw/zinc/18/17/37/905181737.db2.gz GSBZEAFIAPZGMX-SFHLNBCPSA-N 1 0 417.893 4.069 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000512389658 921126263 /nfs/dbraw/zinc/12/62/63/921126263.db2.gz PQKKWJSJOJKEEV-UHFFFAOYSA-N 1 0 413.865 4.469 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000494088121 905421826 /nfs/dbraw/zinc/42/18/26/905421826.db2.gz AVHSQRHLJLKCFN-QGZVFWFLSA-N 1 0 407.580 4.441 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000494110706 905458288 /nfs/dbraw/zinc/45/82/88/905458288.db2.gz UPBYUVVKKDQYDY-OXQOHEQNSA-N 1 0 417.575 4.432 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494445462 905728355 /nfs/dbraw/zinc/72/83/55/905728355.db2.gz JIXDQAWVNXSVAK-MBSDFSHPSA-N 1 0 422.529 4.179 20 5 HIBDRO Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494469811 905750350 /nfs/dbraw/zinc/75/03/50/905750350.db2.gz UWLQZLDWNGHHKO-IBGZPJMESA-N 1 0 419.407 4.435 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494494788 905782508 /nfs/dbraw/zinc/78/25/08/905782508.db2.gz LTBRADRYKUDAGH-YLJYHZDGSA-N 1 0 403.866 4.005 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494497253 905785596 /nfs/dbraw/zinc/78/55/96/905785596.db2.gz WFMZCAFPGLULFN-ICSRJNTNSA-N 1 0 421.856 4.144 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000512609922 921259620 /nfs/dbraw/zinc/25/96/20/921259620.db2.gz SRFWBIXJKLKWRN-IRXDYDNUSA-N 1 0 416.522 4.198 20 5 HIBDRO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000512646551 921273282 /nfs/dbraw/zinc/27/32/82/921273282.db2.gz BCGRYLYQIQLNBQ-QCBQRGATSA-N 1 0 410.518 4.011 20 5 HIBDRO CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952378 907421756 /nfs/dbraw/zinc/42/17/56/907421756.db2.gz OLCQVCKCLUPNPN-XLIONFOSSA-N 1 0 411.502 4.291 20 5 HIBDRO COc1cc(C(=O)NCCCC[NH+](C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498367813 907860563 /nfs/dbraw/zinc/86/05/63/907860563.db2.gz QMWYFBDOFSZIKE-UHFFFAOYSA-N 1 0 421.881 4.121 20 5 HIBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498383296 907871568 /nfs/dbraw/zinc/87/15/68/907871568.db2.gz PFMYHCOCGUAJIV-ZBFHGGJFSA-N 1 0 421.419 4.254 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1Cc1ccccc1 ZINC000498416582 907891909 /nfs/dbraw/zinc/89/19/09/907891909.db2.gz CMNCXDFGCUHLPN-PKOBYXMFSA-N 1 0 418.497 4.174 20 5 HIBDRO COc1cc(C[NH2+]Cc2cnn3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512869543 921369028 /nfs/dbraw/zinc/36/90/28/921369028.db2.gz URWBTIBTNFFIFL-UHFFFAOYSA-N 1 0 418.453 4.120 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498633725 908073893 /nfs/dbraw/zinc/07/38/93/908073893.db2.gz KFOLBFBPRGHSEG-QGZVFWFLSA-N 1 0 410.518 4.260 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498633724 908074230 /nfs/dbraw/zinc/07/42/30/908074230.db2.gz KFOLBFBPRGHSEG-KRWDZBQOSA-N 1 0 410.518 4.260 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](C)C3(S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000512889827 921382877 /nfs/dbraw/zinc/38/28/77/921382877.db2.gz HMSRAFRKDWMYKG-OAHLLOKOSA-N 1 0 420.556 4.110 20 5 HIBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)ccc21 ZINC000499928557 909036085 /nfs/dbraw/zinc/03/60/85/909036085.db2.gz KFNBAGVHYSZXOZ-UHFFFAOYSA-N 1 0 420.473 4.020 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC000513078717 921531761 /nfs/dbraw/zinc/53/17/61/921531761.db2.gz ZXSXQFMJSFOMFY-GOSISDBHSA-N 1 0 419.481 4.497 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000500626644 909976496 /nfs/dbraw/zinc/97/64/96/909976496.db2.gz UBLJZEOVUAWCCP-PZJWPPBQSA-N 1 0 424.545 4.079 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCCNC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000500882939 910155453 /nfs/dbraw/zinc/15/54/53/910155453.db2.gz BOMGZBQOXJJVNQ-UHFFFAOYSA-N 1 0 424.526 4.334 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCOc2cccc3cccnc32)c1 ZINC000500915122 910180291 /nfs/dbraw/zinc/18/02/91/910180291.db2.gz HNDHCZIYKXASFI-UHFFFAOYSA-N 1 0 403.385 4.303 20 5 HIBDRO Cc1cc(Br)ccc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501900790 910911801 /nfs/dbraw/zinc/91/18/01/910911801.db2.gz QJNURBSQPNPQAG-UHFFFAOYSA-N 1 0 406.280 4.126 20 5 HIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502354428 911334920 /nfs/dbraw/zinc/33/49/20/911334920.db2.gz OKQZNCGOIAWOOX-DOTOQJQBSA-N 1 0 411.506 4.387 20 5 HIBDRO CCOc1ccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc1[N+](=O)[O-] ZINC000502692163 911729654 /nfs/dbraw/zinc/72/96/54/911729654.db2.gz ZGNSLQWFQTZQRE-UHFFFAOYSA-N 1 0 415.515 4.103 20 5 HIBDRO CCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502929265 911916009 /nfs/dbraw/zinc/91/60/09/911916009.db2.gz AZOGRLQEYLMWHN-MRXNPFEDSA-N 1 0 423.473 4.274 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCCc2cc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000507164782 915904158 /nfs/dbraw/zinc/90/41/58/915904158.db2.gz LBNWDIVZGZCTKZ-QGZVFWFLSA-N 1 0 422.485 4.450 20 5 HIBDRO Cc1cc(CC[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)on1 ZINC000507245318 916004930 /nfs/dbraw/zinc/00/49/30/916004930.db2.gz YNZOZROIGVGBGS-IBGZPJMESA-N 1 0 414.849 4.057 20 5 HIBDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000507449722 916220194 /nfs/dbraw/zinc/22/01/94/916220194.db2.gz IMERXZDUSTZVMS-JKSUJKDBSA-N 1 0 417.531 4.320 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000507920398 916800447 /nfs/dbraw/zinc/80/04/47/916800447.db2.gz GSCJOQCNGYBVKE-UHFFFAOYSA-N 1 0 406.486 4.432 20 5 HIBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000507929243 916803393 /nfs/dbraw/zinc/80/33/93/916803393.db2.gz HMKTUJPIBVHRBV-ZIAGYGMSSA-N 1 0 405.882 4.433 20 5 HIBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000507928160 916803571 /nfs/dbraw/zinc/80/35/71/916803571.db2.gz BTZXXNCRYSVGBL-INIZCTEOSA-N 1 0 401.532 4.449 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc(O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507934157 916805992 /nfs/dbraw/zinc/80/59/92/916805992.db2.gz VBDGWBLKDGBNKN-UHFFFAOYSA-N 1 0 408.454 4.220 20 5 HIBDRO CCNC(=O)c1cccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000507951583 916813210 /nfs/dbraw/zinc/81/32/10/916813210.db2.gz BICOSYZCMHNJIZ-UHFFFAOYSA-N 1 0 418.497 4.402 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1O ZINC000508092509 916909563 /nfs/dbraw/zinc/90/95/63/916909563.db2.gz ARHRNCAKJWDOQJ-UHFFFAOYSA-N 1 0 424.453 4.186 20 5 HIBDRO COc1cc(CNCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000508101563 916918852 /nfs/dbraw/zinc/91/88/52/916918852.db2.gz JPKZPNUPDXSNNM-GOSISDBHSA-N 1 0 413.518 4.004 20 5 HIBDRO COc1ccc(C[NH+]2CCC(CNc3cc(OC)c([N+](=O)[O-])cc3F)CC2)cc1 ZINC000508236132 917054448 /nfs/dbraw/zinc/05/44/48/917054448.db2.gz OAYGAVWWSOESCZ-UHFFFAOYSA-N 1 0 403.454 4.075 20 5 HIBDRO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570289 917343402 /nfs/dbraw/zinc/34/34/02/917343402.db2.gz PDEVIYCQJJSYRV-QRWLVFNGSA-N 1 0 421.419 4.227 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+](C)C ZINC000508851836 917604264 /nfs/dbraw/zinc/60/42/64/917604264.db2.gz IEHMMNLDLZYJJN-VGSWGCGISA-N 1 0 410.518 4.269 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOC(F)F)o2)c(Br)c1 ZINC000509406840 918070791 /nfs/dbraw/zinc/07/07/91/918070791.db2.gz XPWGOWLLIVUSNM-UHFFFAOYSA-N 1 0 405.195 4.336 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccco1 ZINC000509457129 918109316 /nfs/dbraw/zinc/10/93/16/918109316.db2.gz ZHUCYNGWBGNUFM-IBGZPJMESA-N 1 0 402.495 4.191 20 5 HIBDRO CCOc1ccc(C2=CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000509494236 918139938 /nfs/dbraw/zinc/13/99/38/918139938.db2.gz SWDMQCWYSNPQHV-UHFFFAOYSA-N 1 0 409.486 4.420 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510100640 918664440 /nfs/dbraw/zinc/66/44/40/918664440.db2.gz SBDRUOAQMZMXOI-PKOBYXMFSA-N 1 0 413.543 4.104 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510100639 918664836 /nfs/dbraw/zinc/66/48/36/918664836.db2.gz SBDRUOAQMZMXOI-MJGOQNOKSA-N 1 0 413.543 4.104 20 5 HIBDRO CCOC(=O)C(C)(C)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000510127361 918685704 /nfs/dbraw/zinc/68/57/04/918685704.db2.gz LNZUXUDIEWNWHC-UHFFFAOYSA-N 1 0 415.490 4.094 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510149658 918705364 /nfs/dbraw/zinc/70/53/64/918705364.db2.gz SSXFOEZEZYHDEK-RDJZCZTQSA-N 1 0 401.894 4.279 20 5 HIBDRO COc1cc(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000510450339 918906292 /nfs/dbraw/zinc/90/62/92/918906292.db2.gz UCBUAKHDFPHIPS-DZKIICNBSA-N 1 0 413.465 4.042 20 5 HIBDRO C[C@@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000510511760 918958147 /nfs/dbraw/zinc/95/81/47/918958147.db2.gz XIGHUAYFFXEHBB-LJQANCHMSA-N 1 0 410.518 4.006 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N3CCC(C[NH+](C)C)CC3)cc2[N+](=O)[O-])cc1 ZINC000511021736 919589176 /nfs/dbraw/zinc/58/91/76/919589176.db2.gz GSVXQYJMSGRSAM-UHFFFAOYSA-N 1 0 413.543 4.468 20 5 HIBDRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000511175771 919799114 /nfs/dbraw/zinc/79/91/14/919799114.db2.gz ZLQZIKLAXCPZTM-INIZCTEOSA-N 1 0 420.494 4.150 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511248595 919849947 /nfs/dbraw/zinc/84/99/47/919849947.db2.gz JHHJDNYUAKTCFG-JKSUJKDBSA-N 1 0 405.564 4.480 20 5 HIBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000511389483 919994444 /nfs/dbraw/zinc/99/44/44/919994444.db2.gz CBJWJLXPZSAJIL-GOSISDBHSA-N 1 0 416.566 4.168 20 5 HIBDRO CN(C(=O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000511556929 920192746 /nfs/dbraw/zinc/19/27/46/920192746.db2.gz RYRBHRNAIHNUHJ-LJQANCHMSA-N 1 0 423.391 4.197 20 5 HIBDRO COc1cc(C[N@H+](C)C[C@H]2CCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511633073 920295066 /nfs/dbraw/zinc/29/50/66/920295066.db2.gz ZGNATOKFHCQAFP-HXUWFJFHSA-N 1 0 400.475 4.183 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000511830200 920534521 /nfs/dbraw/zinc/53/45/21/920534521.db2.gz OZXVGNQIZGDEAD-DLBZAZTESA-N 1 0 407.392 4.138 20 5 HIBDRO Cn1cc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513453741 921819361 /nfs/dbraw/zinc/81/93/61/921819361.db2.gz AIJUKUIJLXMZME-UHFFFAOYSA-N 1 0 419.529 4.092 20 5 HIBDRO COCC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000513473429 921833291 /nfs/dbraw/zinc/83/32/91/921833291.db2.gz XKGGBIUAXNWBMQ-UHFFFAOYSA-N 1 0 409.280 4.476 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513731133 922051081 /nfs/dbraw/zinc/05/10/81/922051081.db2.gz RVBKOYMTCHHKIB-UHFFFAOYSA-N 1 0 419.428 4.112 20 5 HIBDRO CSc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000515714851 923296525 /nfs/dbraw/zinc/29/65/25/923296525.db2.gz XZUHGLVTVCKSBQ-UHFFFAOYSA-N 1 0 414.268 4.211 20 5 HIBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2[N+](=O)[O-])C1 ZINC000517302735 924088835 /nfs/dbraw/zinc/08/88/35/924088835.db2.gz CEQSUJDTCKZXDH-IRXDYDNUSA-N 1 0 410.518 4.391 20 5 HIBDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000517556420 924263990 /nfs/dbraw/zinc/26/39/90/924263990.db2.gz OAXSVQJNVULQBZ-AOMKIAJQSA-N 1 0 408.502 4.172 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000517628374 926737233 /nfs/dbraw/zinc/73/72/33/926737233.db2.gz DOXSLSDTTRZKBG-NSHDSACASA-N 1 0 410.243 4.176 20 5 HIBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2N1 ZINC000517661187 926769464 /nfs/dbraw/zinc/76/94/64/926769464.db2.gz NZVGXZZOCDLNOX-YQQQUEKLSA-N 1 0 406.486 4.087 20 5 HIBDRO O=C(NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 ZINC000517711599 926808756 /nfs/dbraw/zinc/80/87/56/926808756.db2.gz NCAWFGHQJZYCRU-UHFFFAOYSA-N 1 0 413.474 4.372 20 5 HIBDRO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000518280386 927137066 /nfs/dbraw/zinc/13/70/66/927137066.db2.gz JKKWKXFDKNOTCM-IBGZPJMESA-N 1 0 407.495 4.214 20 5 HIBDRO O=C1[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000518283197 927141963 /nfs/dbraw/zinc/14/19/63/927141963.db2.gz JHFSVSWRQFBRBE-DLBZAZTESA-N 1 0 403.891 4.180 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CC[C@H](C)CC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000518286354 927143454 /nfs/dbraw/zinc/14/34/54/927143454.db2.gz WORDCBBKZXDZJF-RUCARUNLSA-N 1 0 416.522 4.246 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000518298460 927158533 /nfs/dbraw/zinc/15/85/33/927158533.db2.gz RBUGJHNRZKIKHJ-INIZCTEOSA-N 1 0 417.531 4.074 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000518581216 927360990 /nfs/dbraw/zinc/36/09/90/927360990.db2.gz AKWBTSYMUROALR-UHFFFAOYSA-N 1 0 405.882 4.496 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000518864872 927570829 /nfs/dbraw/zinc/57/08/29/927570829.db2.gz BOSUKONUHNXCJD-HSALFYBXSA-N 1 0 417.553 4.019 20 5 HIBDRO Cc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000518879999 927591698 /nfs/dbraw/zinc/59/16/98/927591698.db2.gz QRVZEEYFDOPJGQ-UHFFFAOYSA-N 1 0 401.894 4.295 20 5 HIBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCCCC[NH+]3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000518923071 927629739 /nfs/dbraw/zinc/62/97/39/927629739.db2.gz CBKIWRURYQXMKN-LJQANCHMSA-N 1 0 416.566 4.217 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCCCC3)o2)c(Br)c1 ZINC000520210409 928390828 /nfs/dbraw/zinc/39/08/28/928390828.db2.gz NCKUEXIWBBRLBV-UHFFFAOYSA-N 1 0 408.296 4.193 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2ccc(O)cc2)cc1 ZINC000520214632 928393243 /nfs/dbraw/zinc/39/32/43/928393243.db2.gz OKPZBPHMVSAXGM-UHFFFAOYSA-N 1 0 414.465 4.485 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000520221734 928396867 /nfs/dbraw/zinc/39/68/67/928396867.db2.gz UUSSDSMIARGJJK-INIZCTEOSA-N 1 0 408.424 4.089 20 5 HIBDRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NCc1ccccc1[N+](=O)[O-] ZINC000520254838 928419379 /nfs/dbraw/zinc/41/93/79/928419379.db2.gz TZRMJAFSUYBFLV-UHFFFAOYSA-N 1 0 424.545 4.129 20 5 HIBDRO CNc1ccc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000520272438 928437669 /nfs/dbraw/zinc/43/76/69/928437669.db2.gz IQPYSCRKMZHTNZ-UHFFFAOYSA-N 1 0 424.545 4.101 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000520313815 928475353 /nfs/dbraw/zinc/47/53/53/928475353.db2.gz PGZDCHPIAJESMK-HNNXBMFYSA-N 1 0 420.469 4.475 20 5 HIBDRO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000520318467 928480380 /nfs/dbraw/zinc/48/03/80/928480380.db2.gz QLADGTWKGNIBSI-QGZVFWFLSA-N 1 0 415.877 4.349 20 5 HIBDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000520388085 928540029 /nfs/dbraw/zinc/54/00/29/928540029.db2.gz ARKCYQYRMKDNBW-OLZOCXBDSA-N 1 0 421.881 4.252 20 5 HIBDRO Cc1ccc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000520951102 928886569 /nfs/dbraw/zinc/88/65/69/928886569.db2.gz PBHVTXRAKRRNBC-MGPUTAFESA-N 1 0 421.900 4.247 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H](C)N1CCOCC1 ZINC000521827507 929482584 /nfs/dbraw/zinc/48/25/84/929482584.db2.gz MQOIQPOGGSHJDL-HZPDHXFCSA-N 1 0 419.909 4.239 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000524865289 929864140 /nfs/dbraw/zinc/86/41/40/929864140.db2.gz OEEGZMATYUWPRL-ZWKOTPCHSA-N 1 0 413.543 4.198 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000524945194 929907354 /nfs/dbraw/zinc/90/73/54/929907354.db2.gz ONZDORKERQHSAV-KOSHJBKYSA-N 1 0 421.497 4.234 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000525248036 930104385 /nfs/dbraw/zinc/10/43/85/930104385.db2.gz XMVNBYIHVLIZIF-UGSOOPFHSA-N 1 0 405.401 4.042 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000525248033 930105198 /nfs/dbraw/zinc/10/51/98/930105198.db2.gz XMVNBYIHVLIZIF-SCLBCKFNSA-N 1 0 405.401 4.042 20 5 HIBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@H]1C ZINC000525358287 930194619 /nfs/dbraw/zinc/19/46/19/930194619.db2.gz JRNFIYQYSZMYFQ-XLIONFOSSA-N 1 0 410.518 4.465 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000525795313 930447304 /nfs/dbraw/zinc/44/73/04/930447304.db2.gz XBXDOIMCIRDTHO-OAQYLSRUSA-N 1 0 422.481 4.031 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)C1CCOCC1 ZINC000531043871 930896191 /nfs/dbraw/zinc/89/61/91/930896191.db2.gz ODCAMDGFJVYIKZ-NRFANRHFSA-N 1 0 414.502 4.477 20 5 HIBDRO C[C@@]1(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCO1 ZINC000531527685 931094071 /nfs/dbraw/zinc/09/40/71/931094071.db2.gz PDZDKRNXMXTRSR-QUCCMNQESA-N 1 0 403.866 4.087 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCOCC1 ZINC000531629663 931132355 /nfs/dbraw/zinc/13/23/55/931132355.db2.gz MHJQIMQBGPMBDD-JLTOFOAXSA-N 1 0 417.893 4.333 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531677200 931147774 /nfs/dbraw/zinc/14/77/74/931147774.db2.gz KGHCRVGQDIFSAX-HRAATJIYSA-N 1 0 419.547 4.427 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531703996 931166016 /nfs/dbraw/zinc/16/60/16/931166016.db2.gz OWZYLPJEGSWVMA-IRXDYDNUSA-N 1 0 400.498 4.288 20 5 HIBDRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000532139505 931326956 /nfs/dbraw/zinc/32/69/56/931326956.db2.gz KFMYGXQOVNTKRJ-KRWDZBQOSA-N 1 0 406.486 4.352 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCc3ccc4c(c3)OCCO4)cs2)c1 ZINC000532328535 931397356 /nfs/dbraw/zinc/39/73/56/931397356.db2.gz NGHYECSTPJLDJG-UHFFFAOYSA-N 1 0 411.483 4.212 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000532472043 931451100 /nfs/dbraw/zinc/45/11/00/931451100.db2.gz DMHRKIHRMIENNS-KRWDZBQOSA-N 1 0 411.502 4.257 20 5 HIBDRO Cc1c(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000532673234 931579033 /nfs/dbraw/zinc/57/90/33/931579033.db2.gz BPNNZSBSSOYWNR-HXUWFJFHSA-N 1 0 401.894 4.052 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000532689014 931586110 /nfs/dbraw/zinc/58/61/10/931586110.db2.gz FHPICMNDQDXYRU-MRXNPFEDSA-N 1 0 412.421 4.042 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000532718691 931607543 /nfs/dbraw/zinc/60/75/43/931607543.db2.gz YYOBQIMXHMWWCF-OAQYLSRUSA-N 1 0 421.501 4.346 20 5 HIBDRO COc1ccc(OC)c(C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)c1 ZINC000532740865 931619224 /nfs/dbraw/zinc/61/92/24/931619224.db2.gz ZKOFQGNCWUTDMN-UHFFFAOYSA-N 1 0 423.469 4.474 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000532753960 931623365 /nfs/dbraw/zinc/62/33/65/931623365.db2.gz RKWUWDDHSNALIZ-UHFFFAOYSA-N 1 0 422.485 4.293 20 5 HIBDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532911245 931690066 /nfs/dbraw/zinc/69/00/66/931690066.db2.gz UGPGSTQOCKZKCZ-QGZVFWFLSA-N 1 0 406.280 4.379 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000533012935 931735893 /nfs/dbraw/zinc/73/58/93/931735893.db2.gz LBLFEOJUWRNYJL-OAHLLOKOSA-N 1 0 410.499 4.413 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533046292 931751274 /nfs/dbraw/zinc/75/12/74/931751274.db2.gz PEGSCSNOAUKJBI-OAQYLSRUSA-N 1 0 401.438 4.202 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000533055261 931757045 /nfs/dbraw/zinc/75/70/45/931757045.db2.gz WZIVFXOTWDUMOW-HSZRJFAPSA-N 1 0 423.444 4.450 20 5 HIBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1c(Cl)cccc1Cl ZINC000533242250 931817398 /nfs/dbraw/zinc/81/73/98/931817398.db2.gz IGRRAHWOFUYZTH-UHFFFAOYSA-N 1 0 423.300 4.052 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000533284495 931827365 /nfs/dbraw/zinc/82/73/65/931827365.db2.gz KKQXTDFWGCVNDP-GOSISDBHSA-N 1 0 407.426 4.358 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533291793 931830093 /nfs/dbraw/zinc/83/00/93/931830093.db2.gz GCQIUMQBFRKLHC-IBGZPJMESA-N 1 0 420.513 4.389 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000533367986 931850298 /nfs/dbraw/zinc/85/02/98/931850298.db2.gz GLDIWWHBBBKSQY-NRFANRHFSA-N 1 0 401.438 4.202 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000533521421 931893314 /nfs/dbraw/zinc/89/33/14/931893314.db2.gz FZSPPRQRKFLPRY-UHFFFAOYSA-N 1 0 420.307 4.215 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3ccc(-n4ccnn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000533756636 932012880 /nfs/dbraw/zinc/01/28/80/932012880.db2.gz NFFGYYCHVYEPGO-OAHLLOKOSA-N 1 0 419.441 4.295 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCN(C(C)=O)c4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000533803540 932039343 /nfs/dbraw/zinc/03/93/43/932039343.db2.gz JTLHVMISMNYHLP-FQEVSTJZSA-N 1 0 421.453 4.451 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534246192 932362825 /nfs/dbraw/zinc/36/28/25/932362825.db2.gz COVUEZAYXBCFCY-GOSISDBHSA-N 1 0 406.486 4.060 20 5 HIBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C2)CC1 ZINC000534405884 932428142 /nfs/dbraw/zinc/42/81/42/932428142.db2.gz SRHNKLTXKHBMPK-IBGZPJMESA-N 1 0 408.502 4.142 20 5 HIBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000534509908 932539106 /nfs/dbraw/zinc/53/91/06/932539106.db2.gz PENLHCLVVXYTGR-HSZRJFAPSA-N 1 0 421.522 4.310 20 5 HIBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000534685490 932656549 /nfs/dbraw/zinc/65/65/49/932656549.db2.gz SZBWTVWGFATKIA-UHFFFAOYSA-N 1 0 420.513 4.311 20 5 HIBDRO C[C@@](O)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(F)(F)F ZINC000534818824 932790536 /nfs/dbraw/zinc/79/05/36/932790536.db2.gz ZOBXXAIQIUDNHW-CQSZACIVSA-N 1 0 423.185 4.020 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2)C1 ZINC000534982007 932874705 /nfs/dbraw/zinc/87/47/05/932874705.db2.gz UFWNBOPJTYLSOE-OAHLLOKOSA-N 1 0 408.458 4.049 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCCCC1 ZINC000535675447 933324445 /nfs/dbraw/zinc/32/44/45/933324445.db2.gz KFZJQBZQEJBPRJ-FQEVSTJZSA-N 1 0 422.485 4.042 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535800198 933395634 /nfs/dbraw/zinc/39/56/34/933395634.db2.gz VHCKWCQPXGZDKE-TZIWHRDSSA-N 1 0 412.486 4.183 20 5 HIBDRO CCOc1cc(C[N@@H+]2CC[C@H](C(C)C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535799328 933395790 /nfs/dbraw/zinc/39/57/90/933395790.db2.gz LAEWTUVXSMBDFH-IBGZPJMESA-N 1 0 416.522 4.055 20 5 HIBDRO COc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537658770 938348512 /nfs/dbraw/zinc/34/85/12/938348512.db2.gz OZIMUAQTFOMPMK-OAQYLSRUSA-N 1 0 402.491 4.021 20 5 HIBDRO COc1cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537659764 938348553 /nfs/dbraw/zinc/34/85/53/938348553.db2.gz PUYSLXJSGMTQEC-NRFANRHFSA-N 1 0 402.491 4.021 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538163711 938531223 /nfs/dbraw/zinc/53/12/23/938531223.db2.gz QULAPAYFZZFQSD-STQMWFEESA-N 1 0 411.380 4.214 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000538234504 938568566 /nfs/dbraw/zinc/56/85/66/938568566.db2.gz RCNQRKVKBBEBTF-YOEHRIQHSA-N 1 0 422.428 4.462 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000538239553 938570953 /nfs/dbraw/zinc/57/09/53/938570953.db2.gz ZBAHWKRFECCFGG-MRXNPFEDSA-N 1 0 420.469 4.345 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000538271555 938580384 /nfs/dbraw/zinc/58/03/84/938580384.db2.gz RIOGMERRHOXTNZ-AEFFLSMTSA-N 1 0 413.543 4.488 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000538278667 938582212 /nfs/dbraw/zinc/58/22/12/938582212.db2.gz FLFIOVZQRXEMRE-GFCCVEGCSA-N 1 0 413.371 4.028 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)o2)c1 ZINC000538389127 938609026 /nfs/dbraw/zinc/60/90/26/938609026.db2.gz AQHPLHJHHHEQQH-QHCPKHFHSA-N 1 0 421.453 4.304 20 5 HIBDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538425887 938617579 /nfs/dbraw/zinc/61/75/79/938617579.db2.gz IRUMCABTPRRUMV-ALCCZGGFSA-N 1 0 403.866 4.197 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000538692299 938685027 /nfs/dbraw/zinc/68/50/27/938685027.db2.gz VUDHZOVARKHHGM-UHFFFAOYSA-N 1 0 405.564 4.480 20 5 HIBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2 ZINC000538729060 938694743 /nfs/dbraw/zinc/69/47/43/938694743.db2.gz NUGYSHDBRBYARY-GOSISDBHSA-N 1 0 414.433 4.301 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000538740809 938698843 /nfs/dbraw/zinc/69/88/43/938698843.db2.gz YDUDOKZBEZLLOG-UHFFFAOYSA-N 1 0 401.532 4.224 20 5 HIBDRO CCOc1cc(C[N@@H+]2CC[C@@](C)(CC)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538752572 938702838 /nfs/dbraw/zinc/70/28/38/938702838.db2.gz WVTFIAUEYHUIAG-JOCHJYFZSA-N 1 0 416.522 4.199 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000538916345 938737438 /nfs/dbraw/zinc/73/74/38/938737438.db2.gz OUOOAKWFANGPKP-UHFFFAOYSA-N 1 0 414.550 4.143 20 5 HIBDRO Cc1c([C@H](C)[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000539039898 938777849 /nfs/dbraw/zinc/77/78/49/938777849.db2.gz HWJRMKSJXROKSZ-LBPRGKRZSA-N 1 0 407.264 4.288 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000539042998 938779870 /nfs/dbraw/zinc/77/98/70/938779870.db2.gz CZRJBYFLADLFOY-LTBCBRHQSA-N 1 0 405.445 4.368 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000539080701 938798054 /nfs/dbraw/zinc/79/80/54/938798054.db2.gz AVNANHYZZOEJAV-UONOGXRCSA-N 1 0 411.487 4.181 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000539080704 938798443 /nfs/dbraw/zinc/79/84/43/938798443.db2.gz AVNANHYZZOEJAV-ZIAGYGMSSA-N 1 0 411.487 4.181 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000539254686 938827460 /nfs/dbraw/zinc/82/74/60/938827460.db2.gz QURORWIZTFHYAT-XLIONFOSSA-N 1 0 411.502 4.398 20 5 HIBDRO COc1ccc(OCC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000539277777 938832087 /nfs/dbraw/zinc/83/20/87/938832087.db2.gz WBDZKVSFKNMUIP-HNNXBMFYSA-N 1 0 402.344 4.405 20 5 HIBDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)c1 ZINC000539305354 938837549 /nfs/dbraw/zinc/83/75/49/938837549.db2.gz PMDRUHBOMPDPAZ-KRWDZBQOSA-N 1 0 419.481 4.432 20 5 HIBDRO Cn1cc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539600567 938886478 /nfs/dbraw/zinc/88/64/78/938886478.db2.gz KUARAHGVNGLZNY-SFHVURJKSA-N 1 0 411.893 4.017 20 5 HIBDRO CCC1(CO)CC[NH+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000539817684 938941772 /nfs/dbraw/zinc/94/17/72/938941772.db2.gz MJVQPXGFQCLZQM-UHFFFAOYSA-N 1 0 414.502 4.167 20 5 HIBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000539818882 938942549 /nfs/dbraw/zinc/94/25/49/938942549.db2.gz FLBBLTLXURRTKY-UXHICEINSA-N 1 0 420.893 4.260 20 5 HIBDRO O=C(CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000540173798 939103855 /nfs/dbraw/zinc/10/38/55/939103855.db2.gz HGXIWLCCMCJTTQ-AVRDEDQJSA-N 1 0 407.514 4.218 20 5 HIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000540352510 939204424 /nfs/dbraw/zinc/20/44/24/939204424.db2.gz OMSSAIUYIIETFA-RHSMWYFYSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000540376071 939216113 /nfs/dbraw/zinc/21/61/13/939216113.db2.gz NXZLZQBPYZNLQW-AWEZNQCLSA-N 1 0 421.419 4.455 20 5 HIBDRO CC(C)Sc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000540402573 939235632 /nfs/dbraw/zinc/23/56/32/939235632.db2.gz HWNBOPVYVUBTAY-ZDUSSCGKSA-N 1 0 417.487 4.113 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000540424368 939243511 /nfs/dbraw/zinc/24/35/11/939243511.db2.gz SGMRKARMGRAAFT-KBPBESRZSA-N 1 0 401.438 4.201 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000540424587 939243541 /nfs/dbraw/zinc/24/35/41/939243541.db2.gz SGMRKARMGRAAFT-ZIAGYGMSSA-N 1 0 401.438 4.201 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000540425974 939244470 /nfs/dbraw/zinc/24/44/70/939244470.db2.gz POPSWZMLMBMTRZ-MRXNPFEDSA-N 1 0 420.469 4.345 20 5 HIBDRO CN(C(=O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000540446055 939252912 /nfs/dbraw/zinc/25/29/12/939252912.db2.gz LKLYACHKMNRSFJ-JOCHJYFZSA-N 1 0 407.445 4.270 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000540624474 939322863 /nfs/dbraw/zinc/32/28/63/939322863.db2.gz HAICEEMWFWCBMB-SFHVURJKSA-N 1 0 411.502 4.014 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000541061134 939445762 /nfs/dbraw/zinc/44/57/62/939445762.db2.gz DPPLOBFRTQIDQH-LJQANCHMSA-N 1 0 409.845 4.321 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000541173180 939484226 /nfs/dbraw/zinc/48/42/26/939484226.db2.gz ITOSOGDPZKTNPP-UHFFFAOYSA-N 1 0 414.849 4.188 20 5 HIBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](C2CCCCC2)CC1 ZINC000541262821 939488255 /nfs/dbraw/zinc/48/82/55/939488255.db2.gz WRGCRDPCJCRRMZ-UHFFFAOYSA-N 1 0 411.955 4.254 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000541263053 939488284 /nfs/dbraw/zinc/48/82/84/939488284.db2.gz VADFFENWOFMFBJ-PKOBYXMFSA-N 1 0 413.543 4.198 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3CCCCS3(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000541383646 939502141 /nfs/dbraw/zinc/50/21/41/939502141.db2.gz LXFLPRWSGYPCTK-GOSISDBHSA-N 1 0 420.556 4.111 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)ccc1Oc1ccccc1Cl ZINC000541383101 939502171 /nfs/dbraw/zinc/50/21/71/939502171.db2.gz PDJVIOQAVUHMDB-HNNXBMFYSA-N 1 0 424.906 4.097 20 5 HIBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000541634235 939577785 /nfs/dbraw/zinc/57/77/85/939577785.db2.gz QHWHXUUVBXYUNN-IJEWVQPXSA-N 1 0 412.408 4.135 20 5 HIBDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541654308 939589546 /nfs/dbraw/zinc/58/95/46/939589546.db2.gz OBKPNKZTKAWHPJ-LBPRGKRZSA-N 1 0 414.462 4.455 20 5 HIBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000542015710 939686930 /nfs/dbraw/zinc/68/69/30/939686930.db2.gz PVSIBSGNSGJBQD-UHFFFAOYSA-N 1 0 414.506 4.110 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000542092151 939708199 /nfs/dbraw/zinc/70/81/99/939708199.db2.gz BXKIGANHGRECCY-KRWDZBQOSA-N 1 0 407.580 4.436 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(Cl)c1 ZINC000542468782 939828143 /nfs/dbraw/zinc/82/81/43/939828143.db2.gz BHAPQBFYITWHLR-IBGZPJMESA-N 1 0 410.301 4.065 20 5 HIBDRO O=C1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1c1cccnc1 ZINC000542483006 939831200 /nfs/dbraw/zinc/83/12/00/939831200.db2.gz UHGLATODJJBATH-GOSISDBHSA-N 1 0 408.483 4.004 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000542500243 939833114 /nfs/dbraw/zinc/83/31/14/939833114.db2.gz UBKQSSFVXQPIDZ-LLVKDONJSA-N 1 0 412.227 4.059 20 5 HIBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542661216 939852276 /nfs/dbraw/zinc/85/22/76/939852276.db2.gz PRVLNDVZVLPDGY-QGZVFWFLSA-N 1 0 405.564 4.291 20 5 HIBDRO Cn1cc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000542689714 939854385 /nfs/dbraw/zinc/85/43/85/939854385.db2.gz QXFHCXQSEKDSJK-CTNGQTDRSA-N 1 0 410.449 4.144 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)cc1 ZINC000542692150 939854593 /nfs/dbraw/zinc/85/45/93/939854593.db2.gz UHQIEJMSCSKPRH-UHFFFAOYSA-N 1 0 420.487 4.026 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000542704838 939855467 /nfs/dbraw/zinc/85/54/67/939855467.db2.gz HCGUZMOQEZQPLN-UHFFFAOYSA-N 1 0 405.292 4.461 20 5 HIBDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000542703668 939855448 /nfs/dbraw/zinc/85/54/48/939855448.db2.gz XIOHOZGUFSWMNC-UHFFFAOYSA-N 1 0 406.280 4.093 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000542915024 939876964 /nfs/dbraw/zinc/87/69/64/939876964.db2.gz GSFXVXGQPUMQFL-KRWDZBQOSA-N 1 0 407.555 4.333 20 5 HIBDRO COc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000542959640 939886145 /nfs/dbraw/zinc/88/61/45/939886145.db2.gz DNBWTVYVCFGSGQ-INIZCTEOSA-N 1 0 404.511 4.112 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000543073074 939924869 /nfs/dbraw/zinc/92/48/69/939924869.db2.gz RNRPZLLUSGBKSD-CABCVRRESA-N 1 0 410.474 4.011 20 5 HIBDRO COc1cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543225854 940000711 /nfs/dbraw/zinc/00/07/11/940000711.db2.gz LMVRJZPTCOVSAK-MSOLQXFVSA-N 1 0 414.502 4.477 20 5 HIBDRO COc1cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543225859 940001068 /nfs/dbraw/zinc/00/10/68/940001068.db2.gz LMVRJZPTCOVSAK-ROUUACIJSA-N 1 0 414.502 4.477 20 5 HIBDRO CCc1ccc([C@H](NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422829 940060074 /nfs/dbraw/zinc/06/00/74/940060074.db2.gz NOWLQDYXOXYJKH-IEGUWTFLSA-N 1 0 415.534 4.319 20 5 HIBDRO Cc1c(Br)c(NCc2ccccc2C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000543436859 940063716 /nfs/dbraw/zinc/06/37/16/940063716.db2.gz NNHWKJMNJLOZFM-UHFFFAOYSA-N 1 0 405.296 4.269 20 5 HIBDRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000543454474 940067628 /nfs/dbraw/zinc/06/76/28/940067628.db2.gz LEGVJXHZMZAAQI-IBGZPJMESA-N 1 0 407.495 4.119 20 5 HIBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543520395 940094913 /nfs/dbraw/zinc/09/49/13/940094913.db2.gz CPPJADMFFOATHK-UHFFFAOYSA-N 1 0 405.564 4.291 20 5 HIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000543541815 940099912 /nfs/dbraw/zinc/09/99/12/940099912.db2.gz BIOCWZAEIZINHY-GFCCVEGCSA-N 1 0 417.263 4.301 20 5 HIBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000543562427 940109226 /nfs/dbraw/zinc/10/92/26/940109226.db2.gz WIVWCFWSCIIBNP-UHFFFAOYSA-N 1 0 405.564 4.481 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000543590686 940122992 /nfs/dbraw/zinc/12/29/92/940122992.db2.gz PFVLEVAGEULFOD-GOSISDBHSA-N 1 0 417.575 4.435 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000543642583 940146884 /nfs/dbraw/zinc/14/68/84/940146884.db2.gz SIBVYYMVVRUZJO-NVXWUHKLSA-N 1 0 400.454 4.156 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1OC ZINC000543813619 940194757 /nfs/dbraw/zinc/19/47/57/940194757.db2.gz GPXBXTNFUMKAGU-VQIMIIECSA-N 1 0 406.523 4.419 20 5 HIBDRO Cc1c(Br)c(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000544395242 940410856 /nfs/dbraw/zinc/41/08/56/940410856.db2.gz JZHPEYYWYDDOMR-HNNXBMFYSA-N 1 0 411.344 4.009 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544398975 940411891 /nfs/dbraw/zinc/41/18/91/940411891.db2.gz JHDNBQRHHUADPO-MJGOQNOKSA-N 1 0 413.493 4.208 20 5 HIBDRO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573215 940482506 /nfs/dbraw/zinc/48/25/06/940482506.db2.gz SXBHYMUBGXEZLF-CQSZACIVSA-N 1 0 402.472 4.028 20 5 HIBDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2Cl)CC1 ZINC000545068194 940538700 /nfs/dbraw/zinc/53/87/00/940538700.db2.gz HWWULUCUTDTCTG-UHFFFAOYSA-N 1 0 413.865 4.107 20 5 HIBDRO CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545560066 940574650 /nfs/dbraw/zinc/57/46/50/940574650.db2.gz RCSVXVXGGSBKHE-QHCPKHFHSA-N 1 0 419.529 4.092 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCC3(CCOCC3)C2)cc1OC ZINC000563988105 945337758 /nfs/dbraw/zinc/33/77/58/945337758.db2.gz OSFUBTJXPTYNBJ-QGZVFWFLSA-N 1 0 406.523 4.421 20 5 HIBDRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)nc12 ZINC000546930543 940917105 /nfs/dbraw/zinc/91/71/05/940917105.db2.gz JSJZHHLTCNZCCE-ZDUSSCGKSA-N 1 0 403.280 4.207 20 5 HIBDRO COc1cc(C[N@@H+]2CCOCC3(CCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546972939 940931550 /nfs/dbraw/zinc/93/15/50/940931550.db2.gz BFORTBFWPLDYOO-UHFFFAOYSA-N 1 0 412.486 4.185 20 5 HIBDRO O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cc1 ZINC000547090012 940991672 /nfs/dbraw/zinc/99/16/72/940991672.db2.gz GNIHSPQYYBVXNJ-UHFFFAOYSA-N 1 0 400.385 4.381 20 5 HIBDRO O=c1cc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000547094771 940993454 /nfs/dbraw/zinc/99/34/54/940993454.db2.gz SXXGDWSHPAJAIH-UHFFFAOYSA-N 1 0 417.425 4.161 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000549298937 941178077 /nfs/dbraw/zinc/17/80/77/941178077.db2.gz DLROCKNTEKQFQS-MJGOQNOKSA-N 1 0 411.502 4.119 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000549330433 941180562 /nfs/dbraw/zinc/18/05/62/941180562.db2.gz WMQXFEKFYGOPSC-UHFFFAOYSA-N 1 0 411.502 4.155 20 5 HIBDRO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000549723271 941205704 /nfs/dbraw/zinc/20/57/04/941205704.db2.gz VCWZUHXHQXXZJF-INIZCTEOSA-N 1 0 421.419 4.180 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000551822264 941553241 /nfs/dbraw/zinc/55/32/41/941553241.db2.gz BBJPDPCRBWKZJM-JRTNDBBKSA-N 1 0 422.529 4.276 20 5 HIBDRO CC1CC[NH+](C2CCC(N[C@@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000552274850 941620265 /nfs/dbraw/zinc/62/02/65/941620265.db2.gz DIEBCWVBOHRWOD-QETWGEEDSA-N 1 0 411.550 4.050 20 5 HIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC3 ZINC000552281947 941621694 /nfs/dbraw/zinc/62/16/94/941621694.db2.gz PSTXASNVBSCSSO-GAJHUEQPSA-N 1 0 415.497 4.355 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000552913590 941801918 /nfs/dbraw/zinc/80/19/18/941801918.db2.gz NRWOXKWNYYNZQN-OLZOCXBDSA-N 1 0 411.380 4.214 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552913594 941801936 /nfs/dbraw/zinc/80/19/36/941801936.db2.gz NRWOXKWNYYNZQN-STQMWFEESA-N 1 0 411.380 4.214 20 5 HIBDRO CCC[N@H+](C)[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553027137 941819707 /nfs/dbraw/zinc/81/97/07/941819707.db2.gz OPVPWGPQOVFWAY-KRWDZBQOSA-N 1 0 405.882 4.070 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000553219623 941851873 /nfs/dbraw/zinc/85/18/73/941851873.db2.gz DVAUKFNVIMQNBH-OAHLLOKOSA-N 1 0 401.463 4.070 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC000553295252 941862146 /nfs/dbraw/zinc/86/21/46/941862146.db2.gz PVMFOSQFKLLSQH-YOFSQIOKSA-N 1 0 408.502 4.217 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553459703 941889021 /nfs/dbraw/zinc/88/90/21/941889021.db2.gz KGGXBHHZPWTGHX-QFIPXVFZSA-N 1 0 413.905 4.295 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000553585754 941914881 /nfs/dbraw/zinc/91/48/81/941914881.db2.gz MLCQBRDXSIUREA-SFHVURJKSA-N 1 0 410.518 4.004 20 5 HIBDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000554894323 942310883 /nfs/dbraw/zinc/31/08/83/942310883.db2.gz GBNFBOIWSZIOIB-FQEVSTJZSA-N 1 0 412.490 4.026 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556857137 942941247 /nfs/dbraw/zinc/94/12/47/942941247.db2.gz AGJVUEBXEFUHFI-JOCHJYFZSA-N 1 0 407.518 4.048 20 5 HIBDRO CC(C)(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000557229512 943056719 /nfs/dbraw/zinc/05/67/19/943056719.db2.gz SDKGQVHBZHFGLZ-HXUWFJFHSA-N 1 0 409.530 4.291 20 5 HIBDRO CC(C)(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000557229510 943056751 /nfs/dbraw/zinc/05/67/51/943056751.db2.gz SDKGQVHBZHFGLZ-FQEVSTJZSA-N 1 0 409.530 4.291 20 5 HIBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000557632150 943240103 /nfs/dbraw/zinc/24/01/03/943240103.db2.gz XLPRXHFZMFSAJO-OAQYLSRUSA-N 1 0 409.515 4.092 20 5 HIBDRO CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Br)[NH+](C)C)cc1 ZINC000559000710 943797723 /nfs/dbraw/zinc/79/77/23/943797723.db2.gz AKSGSGJPWFDWSG-OAHLLOKOSA-N 1 0 411.325 4.189 20 5 HIBDRO COc1ccc([C@@H](C[NH+](C)C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000560072105 944149479 /nfs/dbraw/zinc/14/94/79/944149479.db2.gz XAZWQIPHTVCNSX-HXUWFJFHSA-N 1 0 412.515 4.119 20 5 HIBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1)c1cccc([N+](=O)[O-])c1 ZINC000560571978 944258004 /nfs/dbraw/zinc/25/80/04/944258004.db2.gz LZMGWHKIOBVHBB-WWGRRREGSA-N 1 0 405.524 4.103 20 5 HIBDRO CCC[C@H]([NH2+][C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1)c1cccc([N+](=O)[O-])c1 ZINC000560571981 944259297 /nfs/dbraw/zinc/25/92/97/944259297.db2.gz LZMGWHKIOBVHBB-ZENOOKHLSA-N 1 0 405.524 4.103 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000561433028 944595717 /nfs/dbraw/zinc/59/57/17/944595717.db2.gz QSXJIDPMMAFOCD-YLJYHZDGSA-N 1 0 408.502 4.219 20 5 HIBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)C1 ZINC000561773931 944790797 /nfs/dbraw/zinc/79/07/97/944790797.db2.gz PKFKOUASNOELDQ-OAQYLSRUSA-N 1 0 415.877 4.208 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000565141544 945787229 /nfs/dbraw/zinc/78/72/29/945787229.db2.gz KJRZTIAYXHZXGZ-GDBMZVCRSA-N 1 0 409.408 4.323 20 5 HIBDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000566574315 946043382 /nfs/dbraw/zinc/04/33/82/946043382.db2.gz DOLAKSPJAVRBMH-UHFFFAOYSA-N 1 0 406.364 4.338 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000566773335 946096932 /nfs/dbraw/zinc/09/69/32/946096932.db2.gz OTKOBSALCLUSGU-SFHVURJKSA-N 1 0 404.898 4.085 20 5 HIBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC(F)F ZINC000567436378 946341008 /nfs/dbraw/zinc/34/10/08/946341008.db2.gz YYPRMTIZANAYJI-IAGOWNOFSA-N 1 0 403.429 4.155 20 5 HIBDRO C[C@H]1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000568912228 946747782 /nfs/dbraw/zinc/74/77/82/946747782.db2.gz VULRSSFNSKYELC-HRAATJIYSA-N 1 0 408.527 4.471 20 5 HIBDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569412065 946871304 /nfs/dbraw/zinc/87/13/04/946871304.db2.gz IRTWIMAVHLNNEE-MRXNPFEDSA-N 1 0 411.243 4.178 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000570585308 947303482 /nfs/dbraw/zinc/30/34/82/947303482.db2.gz OXUFZBUWFSSDSI-HXUWFJFHSA-N 1 0 421.501 4.035 20 5 HIBDRO COC[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)OCCc2ccccc21 ZINC000571813236 947793370 /nfs/dbraw/zinc/79/33/70/947793370.db2.gz XHSSPSNVNCTWKE-QHCPKHFHSA-N 1 0 408.454 4.059 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000572802293 948014989 /nfs/dbraw/zinc/01/49/89/948014989.db2.gz ZFVBMKMDOCDTNY-HSZRJFAPSA-N 1 0 414.502 4.309 20 5 HIBDRO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000572867327 948026067 /nfs/dbraw/zinc/02/60/67/948026067.db2.gz MQMGWQRRLWLNNW-UHFFFAOYSA-N 1 0 421.856 4.007 20 5 HIBDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000573590993 948244321 /nfs/dbraw/zinc/24/43/21/948244321.db2.gz ZOGCAEALKSXVCF-QGZVFWFLSA-N 1 0 408.458 4.108 20 5 HIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618515 719074965 /nfs/dbraw/zinc/07/49/65/719074965.db2.gz AZJJVKYEHZFTDL-GDBMZVCRSA-N 1 0 407.301 4.397 20 5 HIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629278 719113464 /nfs/dbraw/zinc/11/34/64/719113464.db2.gz RROKHARORBDKHE-JXFKEZNVSA-N 1 0 423.904 4.292 20 5 HIBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722513 720372207 /nfs/dbraw/zinc/37/22/07/720372207.db2.gz DBPXKONELMSZKZ-MSOLQXFVSA-N 1 0 409.877 4.045 20 5 HIBDRO CC(C)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+]1CCC(C)CC1 ZINC000436108621 861393443 /nfs/dbraw/zinc/39/34/43/861393443.db2.gz JGOZFBFLCSUFAR-HSZRJFAPSA-N 1 0 405.542 4.168 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436157806 861457686 /nfs/dbraw/zinc/45/76/86/861457686.db2.gz XDOHQNIPPRIDFP-CALCHBBNSA-N 1 0 405.542 4.168 20 5 HIBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436295545 861600392 /nfs/dbraw/zinc/60/03/92/861600392.db2.gz RLPJXLOJSVTCJL-INIZCTEOSA-N 1 0 409.505 4.205 20 5 HIBDRO COc1ccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000011172687 845762858 /nfs/dbraw/zinc/76/28/58/845762858.db2.gz GOLLWNIRKXFLMK-UHFFFAOYSA-N 1 0 409.408 4.335 20 5 HIBDRO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015501226 846053694 /nfs/dbraw/zinc/05/36/94/846053694.db2.gz MCCZJIMTMGONSL-NRFANRHFSA-N 1 0 408.433 4.115 20 5 HIBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000021918308 846510917 /nfs/dbraw/zinc/51/09/17/846510917.db2.gz PAKPGBWKPFOMED-UHFFFAOYSA-N 1 0 406.280 4.208 20 5 HIBDRO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000023188164 846667317 /nfs/dbraw/zinc/66/73/17/846667317.db2.gz WUOAUFIVEFCKLD-UHFFFAOYSA-N 1 0 421.419 4.270 20 5 HIBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000024550450 846836678 /nfs/dbraw/zinc/83/66/78/846836678.db2.gz JKCAHIJVPJIDMA-UHFFFAOYSA-N 1 0 410.518 4.205 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025461640 846981729 /nfs/dbraw/zinc/98/17/29/846981729.db2.gz NFKPTHSGIHWVGG-MRXNPFEDSA-N 1 0 413.543 4.029 20 5 HIBDRO CNc1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000025521262 846991019 /nfs/dbraw/zinc/99/10/19/846991019.db2.gz QPCCBGRHODYRII-UHFFFAOYSA-N 1 0 418.497 4.295 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000026224852 847106299 /nfs/dbraw/zinc/10/62/99/847106299.db2.gz FQMHYSHAKDMCDE-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(Br)s1 ZINC000026250974 847112211 /nfs/dbraw/zinc/11/22/11/847112211.db2.gz XBKYYGJQIJOXJG-UHFFFAOYSA-N 1 0 412.309 4.188 20 5 HIBDRO CCc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000026300555 847120027 /nfs/dbraw/zinc/12/00/27/847120027.db2.gz HHOCIZHCWBKDFV-YWZLYKJASA-N 1 0 401.532 4.057 20 5 HIBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000028844240 847468439 /nfs/dbraw/zinc/46/84/39/847468439.db2.gz NZHVMLFAUIJYLY-UHFFFAOYSA-N 1 0 423.300 4.052 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000030331520 847703297 /nfs/dbraw/zinc/70/32/97/847703297.db2.gz YVKWFCIZKWYOTK-UHFFFAOYSA-N 1 0 417.531 4.469 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000030509841 847724694 /nfs/dbraw/zinc/72/46/94/847724694.db2.gz ATOKTWQHGDPDBW-VXGBXAGGSA-N 1 0 422.279 4.044 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031988368 847975875 /nfs/dbraw/zinc/97/58/75/847975875.db2.gz WKUPCUXRDAFQRY-IBGZPJMESA-N 1 0 402.520 4.044 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000043301758 848406695 /nfs/dbraw/zinc/40/66/95/848406695.db2.gz ZABTUUIMARDGDA-CABCVRRESA-N 1 0 401.463 4.070 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000051469295 849473322 /nfs/dbraw/zinc/47/33/22/849473322.db2.gz OCOQFRCQOSJJOT-UHFFFAOYSA-N 1 0 416.547 4.302 20 5 HIBDRO C[C@H](Nc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053346572 849697976 /nfs/dbraw/zinc/69/79/76/849697976.db2.gz KRQPICRTOSGSSV-INIZCTEOSA-N 1 0 419.485 4.477 20 5 HIBDRO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000060693633 851193501 /nfs/dbraw/zinc/19/35/01/851193501.db2.gz BKOXIFCGVHPZKJ-MOPGFXCFSA-N 1 0 416.566 4.073 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437037248 862225296 /nfs/dbraw/zinc/22/52/96/862225296.db2.gz BMNDKSMPLXPTQZ-MJGOQNOKSA-N 1 0 413.543 4.056 20 5 HIBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 ZINC000061031321 851278148 /nfs/dbraw/zinc/27/81/48/851278148.db2.gz JWJOXOQDBNBSAS-UHFFFAOYSA-N 1 0 405.907 4.223 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437046565 862239190 /nfs/dbraw/zinc/23/91/90/862239190.db2.gz NPDBNQWSFHBNPW-RDTXWAMCSA-N 1 0 421.419 4.397 20 5 HIBDRO C[NH+](C)CC(C)(C)CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555133 851403679 /nfs/dbraw/zinc/40/36/79/851403679.db2.gz YFLKEFCILQBBHQ-UHFFFAOYSA-N 1 0 407.518 4.125 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000437056234 862252708 /nfs/dbraw/zinc/25/27/08/862252708.db2.gz PUELQCRXNMDGHY-OAHLLOKOSA-N 1 0 405.486 4.329 20 5 HIBDRO CC(C)c1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1[N+](=O)[O-] ZINC000063578862 851718044 /nfs/dbraw/zinc/71/80/44/851718044.db2.gz PDWSPARLNWVCEE-UHFFFAOYSA-N 1 0 407.264 4.499 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000064421146 851894034 /nfs/dbraw/zinc/89/40/34/851894034.db2.gz MCSMTLYGFVYRKY-OAHLLOKOSA-N 1 0 419.909 4.174 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCCCC1 ZINC000065496410 852158388 /nfs/dbraw/zinc/15/83/88/852158388.db2.gz VTWGSDJSMJYQRV-HXUWFJFHSA-N 1 0 422.485 4.042 20 5 HIBDRO CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000069476437 852396780 /nfs/dbraw/zinc/39/67/80/852396780.db2.gz XEERVKABEVQGML-SFHVURJKSA-N 1 0 417.531 4.258 20 5 HIBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000071961527 852448604 /nfs/dbraw/zinc/44/86/04/852448604.db2.gz WRUIHIYBNMZKRI-UHFFFAOYSA-N 1 0 419.485 4.265 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[NH+]2CCCC2)o1 ZINC000437225491 862422025 /nfs/dbraw/zinc/42/20/25/862422025.db2.gz COINZFBYTZVZCN-INIZCTEOSA-N 1 0 411.380 4.082 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000112648264 853236080 /nfs/dbraw/zinc/23/60/80/853236080.db2.gz JBQOAFNDGIGPHA-ZWKOTPCHSA-N 1 0 413.522 4.150 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000112654568 853236696 /nfs/dbraw/zinc/23/66/96/853236696.db2.gz BMUGVBMFJUJULZ-OAQYLSRUSA-N 1 0 417.481 4.063 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000141352672 853469030 /nfs/dbraw/zinc/46/90/30/853469030.db2.gz LQWYNULSFFNNOL-LPHOPBHVSA-N 1 0 403.866 4.087 20 5 HIBDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000150249074 853641674 /nfs/dbraw/zinc/64/16/74/853641674.db2.gz KZKXAODURTUKMT-HXUWFJFHSA-N 1 0 413.474 4.086 20 5 HIBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000195732676 853784324 /nfs/dbraw/zinc/78/43/24/853784324.db2.gz HCVOOTJMEZWNQQ-KSSFIOAISA-N 1 0 412.408 4.436 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000216264649 853848703 /nfs/dbraw/zinc/84/87/03/853848703.db2.gz RSKREYYZJWZMRR-HZPDHXFCSA-N 1 0 405.520 4.037 20 5 HIBDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000236628581 853905239 /nfs/dbraw/zinc/90/52/39/853905239.db2.gz ZGJVGVYEXZFRRM-UHFFFAOYSA-N 1 0 411.483 4.450 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000236679148 853910228 /nfs/dbraw/zinc/91/02/28/853910228.db2.gz CQUZBFLNEQPLFI-UHFFFAOYSA-N 1 0 405.292 4.195 20 5 HIBDRO CCOc1ccc(Oc2cc(C[NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)ccn2)cc1 ZINC000237102108 853965621 /nfs/dbraw/zinc/96/56/21/853965621.db2.gz YCWXQLMIBMCJAP-UHFFFAOYSA-N 1 0 409.442 4.479 20 5 HIBDRO COc1ccc(C[NH2+]CCc2ccc(C)nc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237157234 853974011 /nfs/dbraw/zinc/97/40/11/853974011.db2.gz WSGBTBQPJKTJJD-UHFFFAOYSA-N 1 0 407.470 4.218 20 5 HIBDRO CNC(=O)c1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 ZINC000237223431 853985284 /nfs/dbraw/zinc/98/52/84/853985284.db2.gz SBYQUOOKFRIZKO-UHFFFAOYSA-N 1 0 409.417 4.176 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1[N+](=O)[O-] ZINC000237254592 853992144 /nfs/dbraw/zinc/99/21/44/853992144.db2.gz NDSDSMITEKZKLO-UHFFFAOYSA-N 1 0 419.481 4.132 20 5 HIBDRO COc1cc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237286741 853997962 /nfs/dbraw/zinc/99/79/62/853997962.db2.gz JCWSRIWRLXLONR-PKTZIBPZSA-N 1 0 414.502 4.213 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1[N+](=O)[O-] ZINC000237290420 853998994 /nfs/dbraw/zinc/99/89/94/853998994.db2.gz FMTMHMUTRNKDAA-INIZCTEOSA-N 1 0 423.469 4.437 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](c3ccco3)N3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237416435 854027777 /nfs/dbraw/zinc/02/77/77/854027777.db2.gz GSWWECOYLCBFBK-HXUWFJFHSA-N 1 0 411.458 4.383 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3cccn3)o2)c([N+](=O)[O-])c1 ZINC000237418179 854028923 /nfs/dbraw/zinc/02/89/23/854028923.db2.gz OTXKNFOCYDUSTQ-UHFFFAOYSA-N 1 0 418.453 4.398 20 5 HIBDRO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237520703 854049628 /nfs/dbraw/zinc/04/96/28/854049628.db2.gz NAJDZOXMYJHODT-SFHVURJKSA-N 1 0 419.529 4.311 20 5 HIBDRO C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cn1ccnc1 ZINC000237589488 854059243 /nfs/dbraw/zinc/05/92/43/854059243.db2.gz AKLAWFQZUAFLST-GOSISDBHSA-N 1 0 416.485 4.070 20 5 HIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000237603941 854060453 /nfs/dbraw/zinc/06/04/53/854060453.db2.gz TWACOGXSNDOMGT-YLJYHZDGSA-N 1 0 417.513 4.162 20 5 HIBDRO C[C@H]1CN([C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000237650074 854068079 /nfs/dbraw/zinc/06/80/79/854068079.db2.gz QDYLFQHUJRXUJR-LRDDRELGSA-N 1 0 413.902 4.000 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000237655831 854068854 /nfs/dbraw/zinc/06/88/54/854068854.db2.gz DJNHLNIBWQBAJC-HZPDHXFCSA-N 1 0 415.465 4.405 20 5 HIBDRO NC(=O)c1cccc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 ZINC000237767306 854092666 /nfs/dbraw/zinc/09/26/66/854092666.db2.gz PKRJNXSKEQNUPH-UHFFFAOYSA-N 1 0 411.845 4.429 20 5 HIBDRO Cn1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237765925 854092881 /nfs/dbraw/zinc/09/28/81/854092881.db2.gz NECNAFICMNYGIG-WMZHIEFXSA-N 1 0 406.486 4.253 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCN(CC(F)(F)F)C3)o2)c(Cl)c1 ZINC000237861943 854110536 /nfs/dbraw/zinc/11/05/36/854110536.db2.gz DENYQIJZJYUYQB-LBPRGKRZSA-N 1 0 417.815 4.482 20 5 HIBDRO Cn1cc(C[NH2+]CCc2ccccc2OC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237921873 854119810 /nfs/dbraw/zinc/11/98/10/854119810.db2.gz GGOQRMVPVRSLFJ-UHFFFAOYSA-N 1 0 420.391 4.226 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccc3CO)o2)c(Br)c1 ZINC000237980190 854128520 /nfs/dbraw/zinc/12/85/20/854128520.db2.gz GPDMZQXADMCXDQ-UHFFFAOYSA-N 1 0 417.259 4.399 20 5 HIBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[NH+]2CCCC2)cc1 ZINC000301444510 854396025 /nfs/dbraw/zinc/39/60/25/854396025.db2.gz YVWCJCYGLIZLSN-OAQYLSRUSA-N 1 0 410.474 4.109 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[C@@H]1c1cccs1 ZINC000301449138 854396815 /nfs/dbraw/zinc/39/68/15/854396815.db2.gz WROXVCAMOGKOQZ-AUUYWEPGSA-N 1 0 416.503 4.108 20 5 HIBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000301509159 854409695 /nfs/dbraw/zinc/40/96/95/854409695.db2.gz ASASWUMNQBYCSW-ZFWWWQNUSA-N 1 0 405.296 4.217 20 5 HIBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000301717644 854451773 /nfs/dbraw/zinc/45/17/73/854451773.db2.gz HTHPDBGFHKNMPV-UHFFFAOYSA-N 1 0 402.495 4.152 20 5 HIBDRO C[NH+]1CCN(C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc2)CC1 ZINC000301861910 854478345 /nfs/dbraw/zinc/47/83/45/854478345.db2.gz LCSYVZDFEVJKOX-NRFANRHFSA-N 1 0 417.513 4.057 20 5 HIBDRO Cc1cc(NCC2CCN(C(=O)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302132625 854535049 /nfs/dbraw/zinc/53/50/49/854535049.db2.gz CGKWOHKGHIQBKY-UHFFFAOYSA-N 1 0 404.470 4.416 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1OCc1ccccc1 ZINC000302169192 854541720 /nfs/dbraw/zinc/54/17/20/854541720.db2.gz LCPJWMPUNLRIFM-ICSRJNTNSA-N 1 0 408.502 4.022 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303737921 855163081 /nfs/dbraw/zinc/16/30/81/855163081.db2.gz HILGPDNOZIEOMK-YJBOKZPZSA-N 1 0 401.894 4.373 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303746244 855168087 /nfs/dbraw/zinc/16/80/87/855168087.db2.gz KBNFZHCDCMAABJ-XXBNENTESA-N 1 0 424.545 4.298 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000303775425 855190999 /nfs/dbraw/zinc/19/09/99/855190999.db2.gz JXLQTEVBKFDOPW-AWEZNQCLSA-N 1 0 405.882 4.148 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000410158043 855843578 /nfs/dbraw/zinc/84/35/78/855843578.db2.gz OINMGURFALRZLA-HDICACEKSA-N 1 0 410.518 4.072 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410344052 855939452 /nfs/dbraw/zinc/93/94/52/855939452.db2.gz JPJULGSTCDRBDO-INIZCTEOSA-N 1 0 412.490 4.300 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)n1 ZINC000425979543 856028485 /nfs/dbraw/zinc/02/84/85/856028485.db2.gz KYCMGEZKACBDCI-UHFFFAOYSA-N 1 0 409.273 4.211 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCc3ccccc3)[C@H]3CCOC3)o2)c1 ZINC000437493517 862850911 /nfs/dbraw/zinc/85/09/11/862850911.db2.gz IHVGGFCGBKWIBS-NRFANRHFSA-N 1 0 407.470 4.126 20 5 HIBDRO CC(C)(O)C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000428403362 857192119 /nfs/dbraw/zinc/19/21/19/857192119.db2.gz AKYJGBPLXFOJNY-UHFFFAOYSA-N 1 0 406.486 4.183 20 5 HIBDRO Cc1cc(F)ccc1C1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000428713233 857307410 /nfs/dbraw/zinc/30/74/10/857307410.db2.gz RVNQYSPYUDJTED-UHFFFAOYSA-N 1 0 413.449 4.220 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000428715205 857307420 /nfs/dbraw/zinc/30/74/20/857307420.db2.gz VKMHQLAFSNBLQS-UHFFFAOYSA-N 1 0 415.465 4.259 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000429423005 857658754 /nfs/dbraw/zinc/65/87/54/857658754.db2.gz XWZFMFCXWGNFNQ-GDBMZVCRSA-N 1 0 407.308 4.168 20 5 HIBDRO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000429460322 857683072 /nfs/dbraw/zinc/68/30/72/857683072.db2.gz XVNJEOLDRPZUSR-HNNXBMFYSA-N 1 0 409.515 4.433 20 5 HIBDRO CC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000431692904 858743473 /nfs/dbraw/zinc/74/34/73/858743473.db2.gz QUYIMEANFUOTLL-AGHHOFFYSA-N 1 0 410.518 4.398 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432029178 858938315 /nfs/dbraw/zinc/93/83/15/858938315.db2.gz BEKYTKUPOPOOLJ-IBGZPJMESA-N 1 0 419.428 4.437 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432029179 858938832 /nfs/dbraw/zinc/93/88/32/858938832.db2.gz BEKYTKUPOPOOLJ-LJQANCHMSA-N 1 0 419.428 4.437 20 5 HIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433080796 859514480 /nfs/dbraw/zinc/51/44/80/859514480.db2.gz DUNPGRPVUYQZAW-KRWDZBQOSA-N 1 0 408.907 4.164 20 5 HIBDRO CC1(C)C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433164114 859547877 /nfs/dbraw/zinc/54/78/77/859547877.db2.gz QNHSGUKDOYRHQV-FCHUYYIVSA-N 1 0 407.514 4.141 20 5 HIBDRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168086 859550692 /nfs/dbraw/zinc/55/06/92/859550692.db2.gz LHHPJPXRXQJSJH-UZUQRXQVSA-N 1 0 409.530 4.328 20 5 HIBDRO COC[C@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433201029 859564519 /nfs/dbraw/zinc/56/45/19/859564519.db2.gz UHDAKHSGQOCPJY-HKUYNNGSSA-N 1 0 406.866 4.324 20 5 HIBDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 ZINC000433202661 859564910 /nfs/dbraw/zinc/56/49/10/859564910.db2.gz SILNXTYNBDMZDA-UHFFFAOYSA-N 1 0 400.822 4.151 20 5 HIBDRO COC[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433201031 859565002 /nfs/dbraw/zinc/56/50/02/859565002.db2.gz UHDAKHSGQOCPJY-IEBWSBKVSA-N 1 0 406.866 4.324 20 5 HIBDRO COC[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000433210017 859568647 /nfs/dbraw/zinc/56/86/47/859568647.db2.gz ZQMIFUHFDHKIJU-VQIMIIECSA-N 1 0 406.866 4.324 20 5 HIBDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433239771 859585252 /nfs/dbraw/zinc/58/52/52/859585252.db2.gz LVYBVFRWHIJZRC-FOIQADDNSA-N 1 0 402.516 4.078 20 5 HIBDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433297984 859623610 /nfs/dbraw/zinc/62/36/10/859623610.db2.gz MYRDXSXJWIVCGO-FOIQADDNSA-N 1 0 402.516 4.159 20 5 HIBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435290145 860721482 /nfs/dbraw/zinc/72/14/82/860721482.db2.gz JWUSNPZIPXMMCT-LJQANCHMSA-N 1 0 419.485 4.107 20 5 HIBDRO Cc1c(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000435333073 860743929 /nfs/dbraw/zinc/74/39/29/860743929.db2.gz NDRNVJMQIQGKBX-UHFFFAOYSA-N 1 0 421.295 4.049 20 5 HIBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000467772063 881589687 /nfs/dbraw/zinc/58/96/87/881589687.db2.gz YEPRPFWDJHKUPN-KRWDZBQOSA-N 1 0 402.882 4.377 20 5 HIBDRO O=C(c1cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000435600956 860905583 /nfs/dbraw/zinc/90/55/83/860905583.db2.gz HQMWUAAGGAHZNS-LJQANCHMSA-N 1 0 400.523 4.040 20 5 HIBDRO CCc1ccc([C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[NH+](C)C)cc1 ZINC000435836147 861098836 /nfs/dbraw/zinc/09/88/36/861098836.db2.gz OXWZONYTOLPZOC-XMMPIXPASA-N 1 0 413.521 4.276 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+](CCO)C2CCOCC2)cc1 ZINC000438334827 863809596 /nfs/dbraw/zinc/80/95/96/863809596.db2.gz ARXLSOSFBDSCEP-UHFFFAOYSA-N 1 0 406.866 4.014 20 5 HIBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCOCC2)ccc1Oc1ccccc1Cl ZINC000438335990 863810836 /nfs/dbraw/zinc/81/08/36/863810836.db2.gz SHDTUFZALWOUMX-UHFFFAOYSA-N 1 0 406.866 4.014 20 5 HIBDRO C[NH+](C)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 ZINC000438342216 863813623 /nfs/dbraw/zinc/81/36/23/863813623.db2.gz MLLCSBKDVGTEKG-UHFFFAOYSA-N 1 0 408.296 4.191 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccccc1 ZINC000438837117 864330537 /nfs/dbraw/zinc/33/05/37/864330537.db2.gz IDTJLIZNSYSGOZ-HUYLIWGRSA-N 1 0 415.877 4.085 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)o2)c(Br)c1 ZINC000438902172 864383068 /nfs/dbraw/zinc/38/30/68/864383068.db2.gz DXSZJUHBCWTVFU-YXJHDRRASA-N 1 0 407.264 4.274 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000438909358 864389848 /nfs/dbraw/zinc/38/98/48/864389848.db2.gz CSFMLJPBCNJBBE-BHDDXSALSA-N 1 0 404.470 4.105 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438953403 864425575 /nfs/dbraw/zinc/42/55/75/864425575.db2.gz OLWONKGMQGJLGS-RDJZCZTQSA-N 1 0 401.894 4.197 20 5 HIBDRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439065523 864516818 /nfs/dbraw/zinc/51/68/18/864516818.db2.gz AUEBVWKTJMXLPB-KKSFZXQISA-N 1 0 411.506 4.063 20 5 HIBDRO CC[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000439137228 864569715 /nfs/dbraw/zinc/56/97/15/864569715.db2.gz RVPNDTYOOVBTPB-SFHVURJKSA-N 1 0 401.894 4.123 20 5 HIBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1(C)C ZINC000439510078 864857375 /nfs/dbraw/zinc/85/73/75/864857375.db2.gz FWIDPTQBEAELLW-GUDVDZBRSA-N 1 0 417.893 4.331 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439528962 864865629 /nfs/dbraw/zinc/86/56/29/864865629.db2.gz GDDAYFITDBRNJL-HXUWFJFHSA-N 1 0 410.518 4.240 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000439637684 864964685 /nfs/dbraw/zinc/96/46/85/864964685.db2.gz HCEGMGCDWBVOGY-GOSISDBHSA-N 1 0 418.291 4.427 20 5 HIBDRO CC[C@](C)(O)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000439789358 865110190 /nfs/dbraw/zinc/11/01/90/865110190.db2.gz ZGXVDEDUFAGIBA-QHCPKHFHSA-N 1 0 408.502 4.159 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000439892857 865204876 /nfs/dbraw/zinc/20/48/76/865204876.db2.gz UWGBGXRLWBVFBW-UHFFFAOYSA-N 1 0 412.490 4.122 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000441202541 866273158 /nfs/dbraw/zinc/27/31/58/866273158.db2.gz QPOYFPHAELRUEV-PMACEKPBSA-N 1 0 400.475 4.230 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295571 866369559 /nfs/dbraw/zinc/36/95/59/866369559.db2.gz KQKJDMRWQXMKIQ-MZKRTTBSSA-N 1 0 423.513 4.332 20 5 HIBDRO NC(=O)c1ccc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000441392618 866465031 /nfs/dbraw/zinc/46/50/31/866465031.db2.gz DLVSMFWCEWOVAA-UHFFFAOYSA-N 1 0 405.907 4.104 20 5 HIBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442289032 867309273 /nfs/dbraw/zinc/30/92/73/867309273.db2.gz HVMJYTCTXHWWPG-UHFFFAOYSA-N 1 0 411.527 4.350 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000442775133 867670734 /nfs/dbraw/zinc/67/07/34/867670734.db2.gz BLKVAUAZSJSBPM-UHFFFAOYSA-N 1 0 409.408 4.471 20 5 HIBDRO CO[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000443076550 867813226 /nfs/dbraw/zinc/81/32/26/867813226.db2.gz YAWXNHFZUVZTJH-HTAPYJJXSA-N 1 0 406.486 4.447 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000443951028 868486821 /nfs/dbraw/zinc/48/68/21/868486821.db2.gz WETYRBRXIBPKJF-UHFFFAOYSA-N 1 0 404.898 4.461 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000443954555 868489633 /nfs/dbraw/zinc/48/96/33/868489633.db2.gz BNHKCQHUAQTDOA-INIZCTEOSA-N 1 0 402.520 4.307 20 5 HIBDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)n(C)n1 ZINC000444000989 868522446 /nfs/dbraw/zinc/52/24/46/868522446.db2.gz AVTATHXWHIJLLU-MRXNPFEDSA-N 1 0 411.531 4.124 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444106022 868621371 /nfs/dbraw/zinc/62/13/71/868621371.db2.gz QODQYTKLFQDQCH-UHFFFAOYSA-N 1 0 403.526 4.208 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](COCc4ccccc4)C3)o2)c1 ZINC000444170227 868647530 /nfs/dbraw/zinc/64/75/30/868647530.db2.gz LZBDSTWCMYJMRS-IBGZPJMESA-N 1 0 407.470 4.331 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@@H+]1Cc1ccccc1 ZINC000444222764 868674834 /nfs/dbraw/zinc/67/48/34/868674834.db2.gz GKTBDKFBHCWMPW-FXAWDEMLSA-N 1 0 411.505 4.074 20 5 HIBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000444457024 868835084 /nfs/dbraw/zinc/83/50/84/868835084.db2.gz AFGCBROVBGXJFL-UHFFFAOYSA-N 1 0 411.483 4.019 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445004415 869158739 /nfs/dbraw/zinc/15/87/39/869158739.db2.gz GUOWPXLUCYPMFZ-LJQANCHMSA-N 1 0 411.505 4.076 20 5 HIBDRO C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445165169 869252857 /nfs/dbraw/zinc/25/28/57/869252857.db2.gz YQXQWDAYVFSJIN-IRXDYDNUSA-N 1 0 403.526 4.064 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000445765182 869809887 /nfs/dbraw/zinc/80/98/87/869809887.db2.gz HGWNMJVHJFCYRV-UHFFFAOYSA-N 1 0 403.482 4.025 20 5 HIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445894943 869876506 /nfs/dbraw/zinc/87/65/06/869876506.db2.gz RQFDIIBNNJUNEB-CYBMUJFWSA-N 1 0 416.425 4.223 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000445987784 869951473 /nfs/dbraw/zinc/95/14/73/869951473.db2.gz IOVSRQOFSZKEME-SJORKVTESA-N 1 0 407.392 4.138 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445989141 869953333 /nfs/dbraw/zinc/95/33/33/869953333.db2.gz ROOCYZQLKUVFOS-SQNIBIBYSA-N 1 0 424.419 4.279 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)[NH+]2CCCCC2)cc1 ZINC000446499076 870416538 /nfs/dbraw/zinc/41/65/38/870416538.db2.gz OHPSDVIGTZGDDF-OAQYLSRUSA-N 1 0 412.490 4.261 20 5 HIBDRO COc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(-c2ccccc2)cc1OC ZINC000446843084 870761533 /nfs/dbraw/zinc/76/15/33/870761533.db2.gz JNBVPPYCIRPHLW-UHFFFAOYSA-N 1 0 418.453 4.445 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)cs1 ZINC000446855180 870776889 /nfs/dbraw/zinc/77/68/89/870776889.db2.gz HJEXNINTMUHKDX-UHFFFAOYSA-N 1 0 402.394 4.350 20 5 HIBDRO CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447537735 871404137 /nfs/dbraw/zinc/40/41/37/871404137.db2.gz YGTKEZAMYVUIKA-CVEARBPZSA-N 1 0 408.886 4.126 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000447554199 871436545 /nfs/dbraw/zinc/43/65/45/871436545.db2.gz UQLZUYFDJWELNT-GFCCVEGCSA-N 1 0 416.421 4.176 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC1CCCC1 ZINC000447561232 871454665 /nfs/dbraw/zinc/45/46/65/871454665.db2.gz GZGUPLVXHKDDRD-MOPGFXCFSA-N 1 0 414.506 4.395 20 5 HIBDRO CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1OC(F)F ZINC000447579660 871482713 /nfs/dbraw/zinc/48/27/13/871482713.db2.gz LDJUVPZCAKRDIA-LSDHHAIUSA-N 1 0 410.421 4.065 20 5 HIBDRO O=C1[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccc(F)cc1F ZINC000447599974 871507874 /nfs/dbraw/zinc/50/78/74/871507874.db2.gz LEPJLBCDFCTNIO-NHCUHLMSSA-N 1 0 415.440 4.031 20 5 HIBDRO C[NH+](C)CCc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000447680951 871614810 /nfs/dbraw/zinc/61/48/10/871614810.db2.gz UOTFUKALFNEKCM-UHFFFAOYSA-N 1 0 418.366 4.360 20 5 HIBDRO Cc1c(Br)cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1[N+](=O)[O-] ZINC000447957767 871823878 /nfs/dbraw/zinc/82/38/78/871823878.db2.gz BAZVDKQDJAONMK-UHFFFAOYSA-N 1 0 400.192 4.030 20 5 HIBDRO Cc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c(-n2cc(Cl)cn2)n1 ZINC000468589275 882673350 /nfs/dbraw/zinc/67/33/50/882673350.db2.gz LRIPAOAOFYCELT-UHFFFAOYSA-N 1 0 423.807 4.029 20 5 HIBDRO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460363327 872996826 /nfs/dbraw/zinc/99/68/26/872996826.db2.gz NTIPPEOAQFHYAY-CYBMUJFWSA-N 1 0 401.417 4.023 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000468635378 882766900 /nfs/dbraw/zinc/76/69/00/882766900.db2.gz ORCIGQDXTWLYBD-WAFIBAPDSA-N 1 0 410.392 4.046 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000468635377 882768469 /nfs/dbraw/zinc/76/84/69/882768469.db2.gz ORCIGQDXTWLYBD-MXHVWWQHSA-N 1 0 410.392 4.046 20 5 HIBDRO Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461788392 874906179 /nfs/dbraw/zinc/90/61/79/874906179.db2.gz SMDGZDWVXZUBBS-UHFFFAOYSA-N 1 0 423.435 4.491 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462158499 875254442 /nfs/dbraw/zinc/25/44/42/875254442.db2.gz LXZDPGYXLJSYMQ-OXQOHEQNSA-N 1 0 413.543 4.346 20 5 HIBDRO C[C@@H](c1ccsc1)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000462457402 875564255 /nfs/dbraw/zinc/56/42/55/875564255.db2.gz ZLNDFMVYYOYJNC-INIZCTEOSA-N 1 0 412.515 4.233 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462553065 875677870 /nfs/dbraw/zinc/67/78/70/875677870.db2.gz QNZYYXHCPUTWFH-KNQAVFIVSA-N 1 0 412.486 4.230 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462617195 875729430 /nfs/dbraw/zinc/72/94/30/875729430.db2.gz NHLBDJVVWFIPRX-QTGUNEKASA-N 1 0 409.530 4.190 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000462755171 875819920 /nfs/dbraw/zinc/81/99/20/875819920.db2.gz LBNYPWAXJLZXOY-RBDMOPTHSA-N 1 0 417.465 4.101 20 5 HIBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1O ZINC000462872872 875902036 /nfs/dbraw/zinc/90/20/36/875902036.db2.gz GXVIGIPFTRNMND-NNUKFRKNSA-N 1 0 407.264 4.107 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463155874 876209858 /nfs/dbraw/zinc/20/98/58/876209858.db2.gz KQYHZJSTNHIEHO-STQMWFEESA-N 1 0 401.429 4.100 20 5 HIBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cccc21 ZINC000468949246 883015577 /nfs/dbraw/zinc/01/55/77/883015577.db2.gz HZNOHQOPTZZQRE-SFHVURJKSA-N 1 0 401.438 4.035 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463427902 876482642 /nfs/dbraw/zinc/48/26/42/876482642.db2.gz IIMQXNNQPOMNDI-UHFFFAOYSA-N 1 0 409.408 4.385 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000463943295 877063739 /nfs/dbraw/zinc/06/37/39/877063739.db2.gz GHLIAPHIGAXKOR-AYHJJNSGSA-N 1 0 405.564 4.478 20 5 HIBDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000463952763 877075745 /nfs/dbraw/zinc/07/57/45/877075745.db2.gz GANIPDQISQAJIT-IBGZPJMESA-N 1 0 414.506 4.043 20 5 HIBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464609181 877836225 /nfs/dbraw/zinc/83/62/25/877836225.db2.gz OZPPGEDEGCNKLT-YPMHNXCESA-N 1 0 407.902 4.186 20 5 HIBDRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464630417 877847472 /nfs/dbraw/zinc/84/74/72/877847472.db2.gz MCQAZQPBEMDCMR-UHFFFAOYSA-N 1 0 423.513 4.264 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000464775947 878018929 /nfs/dbraw/zinc/01/89/29/878018929.db2.gz MWENJINUCCEKIO-CVDCTZTESA-N 1 0 424.545 4.247 20 5 HIBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Cl)cc1 ZINC000464779692 878025240 /nfs/dbraw/zinc/02/52/40/878025240.db2.gz VOXNYOJRMMCEAG-UHFFFAOYSA-N 1 0 403.866 4.120 20 5 HIBDRO C[NH+](C)CCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000465063230 878425165 /nfs/dbraw/zinc/42/51/65/878425165.db2.gz ZJQNZUKDIHAUMT-UHFFFAOYSA-N 1 0 413.261 4.486 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2[N+](=O)[O-])cc1 ZINC000465235753 878653761 /nfs/dbraw/zinc/65/37/61/878653761.db2.gz FXSIIZQDUAFIMN-MSOLQXFVSA-N 1 0 411.527 4.363 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H]2CCCC23CCOCC3)cc1OC ZINC000503431789 912432592 /nfs/dbraw/zinc/43/25/92/912432592.db2.gz GKHVVCRVEBXPLI-KKSFZXQISA-N 1 0 406.523 4.467 20 5 HIBDRO C[NH+](C)CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 ZINC000466414270 880183560 /nfs/dbraw/zinc/18/35/60/880183560.db2.gz IRLURGYNMSZKMY-UHFFFAOYSA-N 1 0 408.296 4.191 20 5 HIBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320743 881067358 /nfs/dbraw/zinc/06/73/58/881067358.db2.gz DMKJMJWEVUJPAR-XMSQKQJNSA-N 1 0 411.502 4.332 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377790 881153135 /nfs/dbraw/zinc/15/31/35/881153135.db2.gz PLLZMUOHVNHGFH-ZHRRBRCNSA-N 1 0 400.475 4.039 20 5 HIBDRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000469753061 883916259 /nfs/dbraw/zinc/91/62/59/883916259.db2.gz PEMQQQNBFCRKHW-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000469764119 883934365 /nfs/dbraw/zinc/93/43/65/883934365.db2.gz LGHZPYTWYCUXEC-GOSISDBHSA-N 1 0 423.435 4.310 20 5 HIBDRO C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000470042617 884283652 /nfs/dbraw/zinc/28/36/52/884283652.db2.gz FQXJZNNATRLOBM-FZKQIMNGSA-N 1 0 424.423 4.277 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470127521 884390081 /nfs/dbraw/zinc/39/00/81/884390081.db2.gz COPCRSKSARJWRI-SGTLLEGYSA-N 1 0 424.835 4.341 20 5 HIBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@@H]1C ZINC000470155583 884428479 /nfs/dbraw/zinc/42/84/79/884428479.db2.gz ZOGUFBAYVIXXMV-RISCZKNCSA-N 1 0 423.263 4.001 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000470597686 885021813 /nfs/dbraw/zinc/02/18/13/885021813.db2.gz BSIKMHNNHIAXBG-OAHLLOKOSA-N 1 0 415.799 4.300 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000504073610 912976113 /nfs/dbraw/zinc/97/61/13/912976113.db2.gz GUHQQGHMKCYOQN-UHFFFAOYSA-N 1 0 403.504 4.290 20 5 HIBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000471564361 886273490 /nfs/dbraw/zinc/27/34/90/886273490.db2.gz SRBPQSHOFGQJQJ-IDHHARJASA-N 1 0 403.866 4.085 20 5 HIBDRO Cc1cc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC000473771778 888570350 /nfs/dbraw/zinc/57/03/50/888570350.db2.gz FUVQPXSYQVFCFA-UHFFFAOYSA-N 1 0 408.502 4.423 20 5 HIBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000475196353 890064757 /nfs/dbraw/zinc/06/47/57/890064757.db2.gz UTQKYDVEMYUTBN-STQMWFEESA-N 1 0 414.428 4.388 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc(C(F)(F)F)c1 ZINC000475230872 890101697 /nfs/dbraw/zinc/10/16/97/890101697.db2.gz GZAKKQNCZKSVOS-UHFFFAOYSA-N 1 0 411.771 4.138 20 5 HIBDRO Cc1ccc([C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000475334890 890255555 /nfs/dbraw/zinc/25/55/55/890255555.db2.gz FLHHZLRDVDRLRN-UZUQRXQVSA-N 1 0 404.470 4.395 20 5 HIBDRO Cc1ccc([C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000475338971 890260736 /nfs/dbraw/zinc/26/07/36/890260736.db2.gz PHOHXQQMVHIBSJ-GAJHUEQPSA-N 1 0 404.470 4.395 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475550120 890474643 /nfs/dbraw/zinc/47/46/43/890474643.db2.gz GOIUWXYPVKGSNT-LJQANCHMSA-N 1 0 411.506 4.125 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000475573185 890505072 /nfs/dbraw/zinc/50/50/72/890505072.db2.gz KPAZUXXPAVMRFM-UHFFFAOYSA-N 1 0 412.490 4.008 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000475643394 890585812 /nfs/dbraw/zinc/58/58/12/890585812.db2.gz WWLQJRPPQCCOLY-INIZCTEOSA-N 1 0 402.520 4.307 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000475718152 890656861 /nfs/dbraw/zinc/65/68/61/890656861.db2.gz XPQLXMZGOKWJEO-LBPRGKRZSA-N 1 0 401.394 4.168 20 5 HIBDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000476268290 891189378 /nfs/dbraw/zinc/18/93/78/891189378.db2.gz GTUGLSLBWPKTJR-INIZCTEOSA-N 1 0 422.428 4.421 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2OC)N2CCCC2)cc1[N+](=O)[O-] ZINC000504888125 913619185 /nfs/dbraw/zinc/61/91/85/913619185.db2.gz NJVKKBRWGOZCAU-DYESRHJHSA-N 1 0 413.518 4.490 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000504894852 913624428 /nfs/dbraw/zinc/62/44/28/913624428.db2.gz PIEPOCWROMYVCH-GOSISDBHSA-N 1 0 413.543 4.360 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000504894381 913625839 /nfs/dbraw/zinc/62/58/39/913625839.db2.gz LCJDBLOYEVLBOF-ROUUACIJSA-N 1 0 405.564 4.236 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000504896193 913627462 /nfs/dbraw/zinc/62/74/62/913627462.db2.gz XFSAICONAUGLHW-FQEVSTJZSA-N 1 0 415.559 4.088 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000477190860 892114467 /nfs/dbraw/zinc/11/44/67/892114467.db2.gz IMLJJONOODEBFY-LJQANCHMSA-N 1 0 419.909 4.378 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911113 913644916 /nfs/dbraw/zinc/64/49/16/913644916.db2.gz AOZIVSWWPUMHAW-QZTJIDSGSA-N 1 0 413.518 4.065 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000504919985 913656893 /nfs/dbraw/zinc/65/68/93/913656893.db2.gz MFVRYGFZRLMZDJ-RTBURBONSA-N 1 0 413.543 4.419 20 5 HIBDRO O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477459074 892421515 /nfs/dbraw/zinc/42/15/15/892421515.db2.gz MROLUNWLYGSTMV-UHFFFAOYSA-N 1 0 413.783 4.484 20 5 HIBDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000477723507 892827339 /nfs/dbraw/zinc/82/73/39/892827339.db2.gz JUEZMKUXEPGYGD-FPOVZHCZSA-N 1 0 402.516 4.086 20 5 HIBDRO Cc1c(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000477753203 892844859 /nfs/dbraw/zinc/84/48/59/892844859.db2.gz ZTHWXUOXVQXUCE-LBPRGKRZSA-N 1 0 411.380 4.309 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[NH+](C)C ZINC000504984605 913730086 /nfs/dbraw/zinc/73/00/86/913730086.db2.gz HBVPHICJEMBWLG-FZKQIMNGSA-N 1 0 409.408 4.343 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000478052254 893199761 /nfs/dbraw/zinc/19/97/61/893199761.db2.gz HEBLAEVNPTZWSO-INIZCTEOSA-N 1 0 422.957 4.163 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000478240216 893404176 /nfs/dbraw/zinc/40/41/76/893404176.db2.gz ZXJOBQJMGGODDR-UHFFFAOYSA-N 1 0 417.874 4.433 20 5 HIBDRO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000478563254 893850445 /nfs/dbraw/zinc/85/04/45/893850445.db2.gz QNRSGNAJBQLEGB-UNMCSNQZSA-N 1 0 421.541 4.386 20 5 HIBDRO COc1ccc(CN2CCC[N@@H+](C(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000505236338 913896753 /nfs/dbraw/zinc/89/67/53/913896753.db2.gz XVMCMTJWWPRQPF-UHFFFAOYSA-N 1 0 413.518 4.099 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000479435261 894751681 /nfs/dbraw/zinc/75/16/81/894751681.db2.gz GTBRXSDZRUZERU-UHFFFAOYSA-N 1 0 401.532 4.335 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000479620769 894890071 /nfs/dbraw/zinc/89/00/71/894890071.db2.gz PIKHEXVLGQKROE-HSZRJFAPSA-N 1 0 408.502 4.342 20 5 HIBDRO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)c2)cc1 ZINC000480453679 895841327 /nfs/dbraw/zinc/84/13/27/895841327.db2.gz FGAITFVYNQJFHD-UHFFFAOYSA-N 1 0 405.454 4.454 20 5 HIBDRO CCOc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(Br)c1OC ZINC000480493749 895866484 /nfs/dbraw/zinc/86/64/84/895866484.db2.gz DLNAVRJXKYWMKF-UHFFFAOYSA-N 1 0 409.280 4.363 20 5 HIBDRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000481007040 896337907 /nfs/dbraw/zinc/33/79/07/896337907.db2.gz YETWMWQKNRFSII-IERDGZPVSA-N 1 0 414.506 4.045 20 5 HIBDRO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481182771 896524468 /nfs/dbraw/zinc/52/44/68/896524468.db2.gz QCYGSEMQWHWFLO-CYBMUJFWSA-N 1 0 401.417 4.023 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000481516989 896884450 /nfs/dbraw/zinc/88/44/50/896884450.db2.gz OIXQVUGXDRCVCY-QIJUGHKUSA-N 1 0 411.502 4.066 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000481714378 897106319 /nfs/dbraw/zinc/10/63/19/897106319.db2.gz UERVMNMPERCBDT-UHFFFAOYSA-N 1 0 401.532 4.335 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000481767674 897153692 /nfs/dbraw/zinc/15/36/92/897153692.db2.gz FGQFWWATSYEJDW-IBGZPJMESA-N 1 0 424.545 4.478 20 5 HIBDRO CNC(=O)C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000481813126 897187997 /nfs/dbraw/zinc/18/79/97/897187997.db2.gz HFAHVJNNYJZBGQ-NRFANRHFSA-N 1 0 418.497 4.330 20 5 HIBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482250179 897731246 /nfs/dbraw/zinc/73/12/46/897731246.db2.gz XZDLVUQZQHEREF-MAUKXSAKSA-N 1 0 401.532 4.369 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)o1 ZINC000482505191 898086344 /nfs/dbraw/zinc/08/63/44/898086344.db2.gz HZWQUSDRSJSGSO-UHFFFAOYSA-N 1 0 407.474 4.162 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000482634493 898238635 /nfs/dbraw/zinc/23/86/35/898238635.db2.gz ZGAZCFPRDVWSOR-UHFFFAOYSA-N 1 0 408.502 4.475 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000482669210 898270809 /nfs/dbraw/zinc/27/08/09/898270809.db2.gz YVLAALNPHAGEAG-OAHLLOKOSA-N 1 0 400.454 4.159 20 5 HIBDRO Cc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000482889364 898506213 /nfs/dbraw/zinc/50/62/13/898506213.db2.gz MBFVSNBSESTIFM-MRXNPFEDSA-N 1 0 421.501 4.225 20 5 HIBDRO CC1(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC000483172345 898840743 /nfs/dbraw/zinc/84/07/43/898840743.db2.gz XVCJEEXINAFKFU-UHFFFAOYSA-N 1 0 404.470 4.384 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000483435570 899068918 /nfs/dbraw/zinc/06/89/18/899068918.db2.gz GKOLWCNRGNXVBQ-HNNXBMFYSA-N 1 0 414.449 4.219 20 5 HIBDRO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000484648115 900092746 /nfs/dbraw/zinc/09/27/46/900092746.db2.gz CPGONTVMQACHCS-PMACEKPBSA-N 1 0 408.458 4.433 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000484990709 900345313 /nfs/dbraw/zinc/34/53/13/900345313.db2.gz HLJFVVPWGXDTPI-KRWDZBQOSA-N 1 0 406.486 4.455 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[N@@H+]1C ZINC000485385050 900680108 /nfs/dbraw/zinc/68/01/08/900680108.db2.gz RPKBNFRIRRDSOX-GDBMZVCRSA-N 1 0 416.909 4.073 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000505805475 914466443 /nfs/dbraw/zinc/46/64/43/914466443.db2.gz RGZQPELFMRNFBC-GOSISDBHSA-N 1 0 405.495 4.269 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000485682011 900932991 /nfs/dbraw/zinc/93/29/91/900932991.db2.gz JSYHSEROWHJRJC-AWEZNQCLSA-N 1 0 419.428 4.152 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000485822269 901069705 /nfs/dbraw/zinc/06/97/05/901069705.db2.gz YOCVXPZBFGCXGU-UHFFFAOYSA-N 1 0 401.532 4.431 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486182879 901368402 /nfs/dbraw/zinc/36/84/02/901368402.db2.gz YTXNNBYPRYAAHY-NWDGAFQWSA-N 1 0 418.357 4.049 20 5 HIBDRO CSc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225369 901408213 /nfs/dbraw/zinc/40/82/13/901408213.db2.gz MNQNYHKSPTZLHO-SUMWQHHRSA-N 1 0 405.545 4.191 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000505925245 914573415 /nfs/dbraw/zinc/57/34/15/914573415.db2.gz QFYSKWZTFOUJAR-FGTMMUONSA-N 1 0 405.564 4.188 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccnc2)cc1 ZINC000487915467 902447586 /nfs/dbraw/zinc/44/75/86/902447586.db2.gz KVDBGIJPMSDSIH-CVEARBPZSA-N 1 0 406.442 4.460 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](COc2ccccc2F)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000489027008 903130762 /nfs/dbraw/zinc/13/07/62/903130762.db2.gz KYIGCMWVPOKLHJ-FOIQADDNSA-N 1 0 417.481 4.453 20 5 HIBDRO CC[C@@H](NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000489143202 903228997 /nfs/dbraw/zinc/22/89/97/903228997.db2.gz UNJKXMOYYHYHEU-MOPGFXCFSA-N 1 0 400.479 4.084 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000489705795 903549579 /nfs/dbraw/zinc/54/95/79/903549579.db2.gz SKCWBSIMWNGDAZ-JOCHJYFZSA-N 1 0 410.518 4.049 20 5 HIBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000489833331 903619015 /nfs/dbraw/zinc/61/90/15/903619015.db2.gz BWVNCIZHLROZOX-CALCHBBNSA-N 1 0 416.566 4.070 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000490013559 903724648 /nfs/dbraw/zinc/72/46/48/903724648.db2.gz WBKPCQCNFDALSS-AEFFLSMTSA-N 1 0 405.564 4.430 20 5 HIBDRO C[C@H](OC[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451356 904018050 /nfs/dbraw/zinc/01/80/50/904018050.db2.gz GMGJRHBEABEBJX-YCRPNKLZSA-N 1 0 404.894 4.351 20 5 HIBDRO COc1cc(C[NH2+]CCc2cccc3cccnc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000491005261 904365992 /nfs/dbraw/zinc/36/59/92/904365992.db2.gz KKSQCEIGDYWVTQ-UHFFFAOYSA-N 1 0 417.412 4.128 20 5 HIBDRO COc1cc(CNc2ccc(C)cc2C[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491039041 904390285 /nfs/dbraw/zinc/39/02/85/904390285.db2.gz QRSOPSXYENDELH-UHFFFAOYSA-N 1 0 409.433 4.229 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491239801 904497898 /nfs/dbraw/zinc/49/78/98/904497898.db2.gz PWIMIOPTGNMCBS-GFCCVEGCSA-N 1 0 413.446 4.083 20 5 HIBDRO CC(C)CC[NH+]1CCC(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000491360937 904558917 /nfs/dbraw/zinc/55/89/17/904558917.db2.gz ZBUUNGKOHLDCKG-UHFFFAOYSA-N 1 0 402.539 4.027 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc2)CC1 ZINC000491411010 904583014 /nfs/dbraw/zinc/58/30/14/904583014.db2.gz WOBVMRLHOPUIGC-JOCHJYFZSA-N 1 0 406.486 4.279 20 5 HIBDRO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000492934820 904954650 /nfs/dbraw/zinc/95/46/50/904954650.db2.gz BNWDIBKCWAYYTN-PGRDOPGGSA-N 1 0 410.518 4.352 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938067 904956920 /nfs/dbraw/zinc/95/69/20/904956920.db2.gz SSXOTELQVFNWLN-GHTZIAJQSA-N 1 0 410.518 4.270 20 5 HIBDRO Cc1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493303214 905079732 /nfs/dbraw/zinc/07/97/32/905079732.db2.gz KDEFCEKIFUYSIP-QGZVFWFLSA-N 1 0 423.542 4.168 20 5 HIBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@@H]2C1 ZINC000493560476 905163875 /nfs/dbraw/zinc/16/38/75/905163875.db2.gz XCTFUEFPRNWACT-AUUYWEPGSA-N 1 0 415.877 4.207 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)c([N+](=O)[O-])c2)cc1 ZINC000493637050 905177244 /nfs/dbraw/zinc/17/72/44/905177244.db2.gz URSBYVKULOKETB-AZUAARDMSA-N 1 0 408.502 4.076 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493737854 905207777 /nfs/dbraw/zinc/20/77/77/905207777.db2.gz SMBXFQOBRRUAHL-HNNXBMFYSA-N 1 0 414.449 4.219 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000493800304 905220945 /nfs/dbraw/zinc/22/09/45/905220945.db2.gz ZXBDETRTRODXHP-RXVVDRJESA-N 1 0 415.396 4.190 20 5 HIBDRO CCc1cc(N2CCC[C@@H]([NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000494037371 905377859 /nfs/dbraw/zinc/37/78/59/905377859.db2.gz GTAMRPWTIDMUCI-ZJSXRUAMSA-N 1 0 417.513 4.295 20 5 HIBDRO C[C@@H]1[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000494070077 905409265 /nfs/dbraw/zinc/40/92/65/905409265.db2.gz UQQCMTQLDRKBQP-VGOFRKELSA-N 1 0 411.505 4.074 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000494077272 905415118 /nfs/dbraw/zinc/41/51/18/905415118.db2.gz GUHIAOISCHUCFC-OXJNMPFZSA-N 1 0 413.543 4.488 20 5 HIBDRO C[C@@H]1OCC[C@]1(C)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494251960 905578005 /nfs/dbraw/zinc/57/80/05/905578005.db2.gz UPSVDOTWLSNOTD-GMVOTWDCSA-N 1 0 403.866 4.085 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2(CCO)CCCC2)cc1 ZINC000512501885 921202668 /nfs/dbraw/zinc/20/26/68/921202668.db2.gz QWHHBWUBHOEIQZ-UHFFFAOYSA-N 1 0 406.486 4.232 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000495055531 906208911 /nfs/dbraw/zinc/20/89/11/906208911.db2.gz IKHHNZGNPSXFRB-UHFFFAOYSA-N 1 0 401.532 4.477 20 5 HIBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@H]2C1 ZINC000495092893 906232835 /nfs/dbraw/zinc/23/28/35/906232835.db2.gz YGAIHXQRSMCHSC-ACJLOTCBSA-N 1 0 420.307 4.143 20 5 HIBDRO COc1cc(C[NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000512568592 921242676 /nfs/dbraw/zinc/24/26/76/921242676.db2.gz JBESCIJANWNJGL-FQEVSTJZSA-N 1 0 406.866 4.220 20 5 HIBDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000512623385 921265604 /nfs/dbraw/zinc/26/56/04/921265604.db2.gz RNFYGXBNBAKBPE-UHFFFAOYSA-N 1 0 421.453 4.411 20 5 HIBDRO COc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000512701857 921292028 /nfs/dbraw/zinc/29/20/28/921292028.db2.gz WGXRBUGPISDYCO-UHFFFAOYSA-N 1 0 412.515 4.358 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000497636532 907120774 /nfs/dbraw/zinc/12/07/74/907120774.db2.gz DPSGWGLEKBSDNR-LJQANCHMSA-N 1 0 401.894 4.451 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000498141154 907662793 /nfs/dbraw/zinc/66/27/93/907662793.db2.gz VGWSGQZGZHMSNR-JOCHJYFZSA-N 1 0 411.527 4.467 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)C1 ZINC000498314876 907835462 /nfs/dbraw/zinc/83/54/62/907835462.db2.gz VNGDQGQDNWXDSV-SFHVURJKSA-N 1 0 420.513 4.098 20 5 HIBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000498651690 908090627 /nfs/dbraw/zinc/09/06/27/908090627.db2.gz AUIZMMUBDIODJN-UHFFFAOYSA-N 1 0 410.518 4.011 20 5 HIBDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500099112 909579257 /nfs/dbraw/zinc/57/92/57/909579257.db2.gz RVYOHQMUUVPATJ-FQEVSTJZSA-N 1 0 407.474 4.130 20 5 HIBDRO COc1cc(CN2CCC([NH2+]C(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513101050 921550089 /nfs/dbraw/zinc/55/00/89/921550089.db2.gz OPDLMHYLBZNURA-UHFFFAOYSA-N 1 0 413.518 4.145 20 5 HIBDRO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501960730 910948236 /nfs/dbraw/zinc/94/82/36/910948236.db2.gz YQCUTHLLVYVWBI-QFBILLFUSA-N 1 0 406.486 4.374 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513227856 921641926 /nfs/dbraw/zinc/64/19/26/921641926.db2.gz RWLHHCSPYMJCSZ-LJQANCHMSA-N 1 0 422.510 4.113 20 5 HIBDRO Cc1c(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000502355245 911337265 /nfs/dbraw/zinc/33/72/65/911337265.db2.gz SPZRUFDDIPGPCG-IBGZPJMESA-N 1 0 419.485 4.258 20 5 HIBDRO Cn1ccnc1[C@@H](NCCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000503086484 912057039 /nfs/dbraw/zinc/05/70/39/912057039.db2.gz IOCNSDPYQUGIOD-NRFANRHFSA-N 1 0 407.449 4.261 20 5 HIBDRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000506496968 915111517 /nfs/dbraw/zinc/11/15/17/915111517.db2.gz WCDYDEVYBBUGSH-UHFFFAOYSA-N 1 0 405.857 4.281 20 5 HIBDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000506732908 915417069 /nfs/dbraw/zinc/41/70/69/915417069.db2.gz AUQMEWJPIXUNPB-OAQYLSRUSA-N 1 0 422.485 4.350 20 5 HIBDRO Cn1cc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506742501 915431453 /nfs/dbraw/zinc/43/14/53/915431453.db2.gz GZQSBFCKUMZCNW-LJQANCHMSA-N 1 0 412.515 4.238 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000507035241 915833611 /nfs/dbraw/zinc/83/36/11/915833611.db2.gz CUUJATFOMYRPBZ-HXUWFJFHSA-N 1 0 403.454 4.448 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507185061 915932227 /nfs/dbraw/zinc/93/22/27/915932227.db2.gz YKDZWIOHDRLFHT-UHFFFAOYSA-N 1 0 422.485 4.451 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000507305306 916067729 /nfs/dbraw/zinc/06/77/29/916067729.db2.gz UPVPZZXXPZJXJT-KXBFYZLASA-N 1 0 403.548 4.186 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000507443822 916213460 /nfs/dbraw/zinc/21/34/60/916213460.db2.gz YONKHGJLFWBHAW-OALUTQOASA-N 1 0 419.569 4.027 20 5 HIBDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507489040 916257498 /nfs/dbraw/zinc/25/74/98/916257498.db2.gz CPNMCQVHNZJKEB-CABCVRRESA-N 1 0 403.504 4.011 20 5 HIBDRO CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000507554368 916309766 /nfs/dbraw/zinc/30/97/66/916309766.db2.gz UXZDGQQUGITOPY-UONOGXRCSA-N 1 0 403.504 4.393 20 5 HIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000507920608 916800715 /nfs/dbraw/zinc/80/07/15/916800715.db2.gz NSHKXGHWNLMBKE-CQSZACIVSA-N 1 0 400.385 4.303 20 5 HIBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000507931755 916805329 /nfs/dbraw/zinc/80/53/29/916805329.db2.gz YFHRHFKBBDDIIB-CVEARBPZSA-N 1 0 401.532 4.447 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1 ZINC000507938155 916807703 /nfs/dbraw/zinc/80/77/03/916807703.db2.gz FQJMTCLDJIGHHT-OAHLLOKOSA-N 1 0 401.532 4.447 20 5 HIBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000508342422 917144175 /nfs/dbraw/zinc/14/41/75/917144175.db2.gz KBPNIHSJAZLBFH-MSOLQXFVSA-N 1 0 410.518 4.057 20 5 HIBDRO CCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000508456268 917240365 /nfs/dbraw/zinc/24/03/65/917240365.db2.gz LNLSBSLGJNDTNO-FQEVSTJZSA-N 1 0 411.502 4.120 20 5 HIBDRO COc1ccc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000508777567 917530868 /nfs/dbraw/zinc/53/08/68/917530868.db2.gz IXIISVYHGSQQEH-UHFFFAOYSA-N 1 0 405.454 4.488 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1)C(C)C ZINC000508784898 917539438 /nfs/dbraw/zinc/53/94/38/917539438.db2.gz KHNZIYIQFWUMHD-UHFFFAOYSA-N 1 0 413.474 4.239 20 5 HIBDRO C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000508848209 917600868 /nfs/dbraw/zinc/60/08/68/917600868.db2.gz OVIFLNOUINQRAP-SJKOYZFVSA-N 1 0 408.405 4.009 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+](C)C ZINC000508851830 917604683 /nfs/dbraw/zinc/60/46/83/917604683.db2.gz IEHMMNLDLZYJJN-HTAPYJJXSA-N 1 0 410.518 4.269 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000509392051 918058504 /nfs/dbraw/zinc/05/85/04/918058504.db2.gz GIVAIXRILWMZCN-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO Cn1cnnc1C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000509398890 918065600 /nfs/dbraw/zinc/06/56/00/918065600.db2.gz ILGWQDPFDKSOSG-UHFFFAOYSA-N 1 0 401.854 4.016 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000509434351 918091025 /nfs/dbraw/zinc/09/10/25/918091025.db2.gz XEUTYHXKEOPFNB-UHFFFAOYSA-N 1 0 424.545 4.352 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509594154 918242720 /nfs/dbraw/zinc/24/27/20/918242720.db2.gz SEXWAYICGPRDDZ-FQEVSTJZSA-N 1 0 420.465 4.276 20 5 HIBDRO COc1ccc(C[NH2+]CCN2CCCC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509614644 918262686 /nfs/dbraw/zinc/26/26/86/918262686.db2.gz BYNYJLRSMXMRHW-SFHVURJKSA-N 1 0 413.518 4.146 20 5 HIBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000509975062 918565270 /nfs/dbraw/zinc/56/52/70/918565270.db2.gz VDOIYNMPOBPZTQ-UHFFFAOYSA-N 1 0 411.527 4.446 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510134025 918690653 /nfs/dbraw/zinc/69/06/53/918690653.db2.gz WFKGJUMYRHNDGJ-UYAOXDASSA-N 1 0 409.530 4.289 20 5 HIBDRO CCOc1cc(C[NH+]2CCC(CC)CC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000510625393 919066517 /nfs/dbraw/zinc/06/65/17/919066517.db2.gz UPDYCWYSRUWNRO-UHFFFAOYSA-N 1 0 416.522 4.199 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000510824228 919304999 /nfs/dbraw/zinc/30/49/99/919304999.db2.gz BQKFXUQJAWQAJD-FQEVSTJZSA-N 1 0 403.866 4.326 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000510881731 919376473 /nfs/dbraw/zinc/37/64/73/919376473.db2.gz XJNPOGZZPJCHPC-UHFFFAOYSA-N 1 0 424.545 4.211 20 5 HIBDRO C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510923343 919441700 /nfs/dbraw/zinc/44/17/00/919441700.db2.gz RRVRFQXHGLEOQD-ZBFHGGJFSA-N 1 0 414.531 4.101 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511270687 919869277 /nfs/dbraw/zinc/86/92/77/919869277.db2.gz SFECTRZDFWVGNF-HZPDHXFCSA-N 1 0 405.564 4.478 20 5 HIBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496255 920106331 /nfs/dbraw/zinc/10/63/31/920106331.db2.gz UGRDPPXTAOTBAF-DOTOQJQBSA-N 1 0 416.547 4.235 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000511753578 920432731 /nfs/dbraw/zinc/43/27/31/920432731.db2.gz LTRLHYVRFHBPBM-QFIPXVFZSA-N 1 0 420.513 4.036 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000512089514 920852593 /nfs/dbraw/zinc/85/25/93/920852593.db2.gz FXLMOWJSFAQDPS-INIZCTEOSA-N 1 0 406.486 4.381 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)CC1 ZINC000512091221 920854266 /nfs/dbraw/zinc/85/42/66/920854266.db2.gz SJXHOVIUHXISCI-UHFFFAOYSA-N 1 0 406.486 4.238 20 5 HIBDRO COc1cc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000512184817 920928273 /nfs/dbraw/zinc/92/82/73/920928273.db2.gz NDJTUEUTFHCBHW-IRXDYDNUSA-N 1 0 411.502 4.011 20 5 HIBDRO CSc1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000512312528 921064061 /nfs/dbraw/zinc/06/40/61/921064061.db2.gz JUVGAKVKMAQLGX-UHFFFAOYSA-N 1 0 417.556 4.426 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000513519031 921864450 /nfs/dbraw/zinc/86/44/50/921864450.db2.gz OHORHMDVRHWZRO-LJQANCHMSA-N 1 0 403.486 4.126 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513694305 922016023 /nfs/dbraw/zinc/01/60/23/922016023.db2.gz PPEGYZPLKCMFDQ-UHFFFAOYSA-N 1 0 405.401 4.087 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000513912954 922235821 /nfs/dbraw/zinc/23/58/21/922235821.db2.gz JYPIRUKTGDXQPA-NRFANRHFSA-N 1 0 406.486 4.107 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514073962 922397417 /nfs/dbraw/zinc/39/74/17/922397417.db2.gz GFXNTZZDZXDLPH-SFHVURJKSA-N 1 0 400.475 4.230 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514511222 922664431 /nfs/dbraw/zinc/66/44/31/922664431.db2.gz HWFIFAADCMJAAD-KRWDZBQOSA-N 1 0 418.519 4.260 20 5 HIBDRO COC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(Cl)c1 ZINC000515014127 922877724 /nfs/dbraw/zinc/87/77/24/922877724.db2.gz KHUODOAZUUWEAP-SFHVURJKSA-N 1 0 401.850 4.423 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000515528752 923157887 /nfs/dbraw/zinc/15/78/87/923157887.db2.gz NAFVTZMYQOTRPR-IERDGZPVSA-N 1 0 414.506 4.047 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000515747740 923320740 /nfs/dbraw/zinc/32/07/40/923320740.db2.gz KUYWKIWMSAQSEN-HDICACEKSA-N 1 0 410.518 4.072 20 5 HIBDRO C[NH+](C)CCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000516376214 923700437 /nfs/dbraw/zinc/70/04/37/923700437.db2.gz PWMSNPFVQMTAAA-UHFFFAOYSA-N 1 0 413.421 4.056 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000516498857 923760865 /nfs/dbraw/zinc/76/08/65/923760865.db2.gz YRYYNRFAPSKJIY-AWEZNQCLSA-N 1 0 407.923 4.212 20 5 HIBDRO CCN1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000517542876 924254845 /nfs/dbraw/zinc/25/48/45/924254845.db2.gz GNZFIGRVFZNYMX-JOCHJYFZSA-N 1 0 405.502 4.021 20 5 HIBDRO CC[N@H+](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(C)C ZINC000517550895 924261574 /nfs/dbraw/zinc/26/15/74/924261574.db2.gz QVUYDYHUVOPENX-UHFFFAOYSA-N 1 0 410.312 4.437 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000518298461 927158908 /nfs/dbraw/zinc/15/89/08/927158908.db2.gz RBUGJHNRZKIKHJ-MRXNPFEDSA-N 1 0 417.531 4.074 20 5 HIBDRO C[NH+](C)CCCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000518725954 927456532 /nfs/dbraw/zinc/45/65/32/927456532.db2.gz MFGGUMCNSFBHLX-SAPNQHFASA-N 1 0 424.526 4.203 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1SC ZINC000518868218 927578351 /nfs/dbraw/zinc/57/83/51/927578351.db2.gz WORVOOKPBWSVFR-MRXNPFEDSA-N 1 0 421.563 4.100 20 5 HIBDRO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000518961940 927659646 /nfs/dbraw/zinc/65/96/46/927659646.db2.gz OGZVNYDEQBSQKW-IBGZPJMESA-N 1 0 415.877 4.207 20 5 HIBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000520104512 928313549 /nfs/dbraw/zinc/31/35/49/928313549.db2.gz AFCTWGJMMOJQEC-UHFFFAOYSA-N 1 0 410.396 4.209 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)c2cnn(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520207420 928387444 /nfs/dbraw/zinc/38/74/44/928387444.db2.gz WAFPBLLDSFKVDA-OAHLLOKOSA-N 1 0 410.474 4.075 20 5 HIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2c(c1)OCCO2 ZINC000520204690 928388258 /nfs/dbraw/zinc/38/82/58/928388258.db2.gz AXQCYLNXQAMRIV-UHFFFAOYSA-N 1 0 408.401 4.035 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)COc2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000520954702 928888877 /nfs/dbraw/zinc/88/88/77/928888877.db2.gz FESQSBHUGUEXQL-SFHVURJKSA-N 1 0 412.417 4.056 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000521248851 929080449 /nfs/dbraw/zinc/08/04/49/929080449.db2.gz DXCHDJCIOWMYQA-PBHICJAKSA-N 1 0 415.877 4.027 20 5 HIBDRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000521797960 929457147 /nfs/dbraw/zinc/45/71/47/929457147.db2.gz WOVMTOXUJPAZLW-UHFFFAOYSA-N 1 0 411.462 4.053 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521826208 929480990 /nfs/dbraw/zinc/48/09/90/929480990.db2.gz PKSVRIHGEDNDLE-NRFANRHFSA-N 1 0 420.465 4.276 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000521883176 929533828 /nfs/dbraw/zinc/53/38/28/929533828.db2.gz ISAUMKJCRYQEHV-LJQANCHMSA-N 1 0 424.526 4.331 20 5 HIBDRO CNC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000521908263 929551841 /nfs/dbraw/zinc/55/18/41/929551841.db2.gz ABFPUXZQGWOLPN-UHFFFAOYSA-N 1 0 404.470 4.012 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000524865287 929863972 /nfs/dbraw/zinc/86/39/72/929863972.db2.gz OEEGZMATYUWPRL-QZTJIDSGSA-N 1 0 413.543 4.198 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000525057924 930008109 /nfs/dbraw/zinc/00/81/09/930008109.db2.gz YYRSBWDUSGEVPG-HRAATJIYSA-N 1 0 416.547 4.048 20 5 HIBDRO CC(=O)N1CCC([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000525694304 930406125 /nfs/dbraw/zinc/40/61/25/930406125.db2.gz GHLBTRHYSJOIPI-UHFFFAOYSA-N 1 0 403.866 4.141 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000525760801 930434375 /nfs/dbraw/zinc/43/43/75/930434375.db2.gz LMKAHFKBRHCUGF-JKSUJKDBSA-N 1 0 405.520 4.037 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000525776967 930440797 /nfs/dbraw/zinc/44/07/97/930440797.db2.gz XXMMJKHEQRHAMP-GOSISDBHSA-N 1 0 406.486 4.060 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000526120839 930539114 /nfs/dbraw/zinc/53/91/14/930539114.db2.gz YXSAFOBCLUNQTH-GOSISDBHSA-N 1 0 406.866 4.014 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530589666 930761657 /nfs/dbraw/zinc/76/16/57/930761657.db2.gz NVVVYFMKPQHMSR-SCLBCKFNSA-N 1 0 407.923 4.148 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 ZINC000530872325 930844749 /nfs/dbraw/zinc/84/47/49/930844749.db2.gz IZBNYEHBGLRMQI-UHFFFAOYSA-N 1 0 407.455 4.497 20 5 HIBDRO COc1cc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000530926961 930860404 /nfs/dbraw/zinc/86/04/04/930860404.db2.gz SMIMXTKOQGDBIR-KRWDZBQOSA-N 1 0 422.428 4.077 20 5 HIBDRO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531065046 930903331 /nfs/dbraw/zinc/90/33/31/930903331.db2.gz AZNGDYAUOITIRK-HSZRJFAPSA-N 1 0 423.513 4.019 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531066846 930904683 /nfs/dbraw/zinc/90/46/83/930904683.db2.gz QTRWUGKJGAKPSI-MRXNPFEDSA-N 1 0 415.799 4.300 20 5 HIBDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204528 930964517 /nfs/dbraw/zinc/96/45/17/930964517.db2.gz GYZZZCDUNCYIJT-KGLIPLIRSA-N 1 0 419.503 4.128 20 5 HIBDRO Cc1c[nH+]ccc1N1CCC(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)CC1 ZINC000531208877 930967191 /nfs/dbraw/zinc/96/71/91/930967191.db2.gz HMXJOGLNEHIQPQ-UHFFFAOYSA-N 1 0 408.502 4.490 20 5 HIBDRO C[C@@]1(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCO1 ZINC000531527684 931092671 /nfs/dbraw/zinc/09/26/71/931092671.db2.gz PDZDKRNXMXTRSR-ICSRJNTNSA-N 1 0 403.866 4.087 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000531704390 931165954 /nfs/dbraw/zinc/16/59/54/931165954.db2.gz RAFKQFQPXCYUOE-CYBMUJFWSA-N 1 0 411.380 4.043 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531955433 931263168 /nfs/dbraw/zinc/26/31/68/931263168.db2.gz DKPIBADTFXWYJJ-DYESRHJHSA-N 1 0 411.502 4.398 20 5 HIBDRO Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[nH]n1 ZINC000532015695 931285119 /nfs/dbraw/zinc/28/51/19/931285119.db2.gz QDRAMJNJJYFCBC-LLVKDONJSA-N 1 0 419.279 4.370 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCCO[C@@H]2CCOC2)cc1 ZINC000532300030 931390265 /nfs/dbraw/zinc/39/02/65/931390265.db2.gz INOBIIPHOZCUDU-GOSISDBHSA-N 1 0 406.866 4.326 20 5 HIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000532688881 931585423 /nfs/dbraw/zinc/58/54/23/931585423.db2.gz FKUXUKYCGYVPCB-INIZCTEOSA-N 1 0 412.421 4.042 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000532717376 931605846 /nfs/dbraw/zinc/60/58/46/931605846.db2.gz VHDBUXRVXJNFBO-UHFFFAOYSA-N 1 0 420.307 4.215 20 5 HIBDRO COc1cc(CNc2ccc3c(c2)[nH+]c(C)n3C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000532744639 931620228 /nfs/dbraw/zinc/62/02/28/931620228.db2.gz RXLXCUSIIGGVNN-UHFFFAOYSA-N 1 0 424.379 4.352 20 5 HIBDRO COc1ccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000532889392 931681175 /nfs/dbraw/zinc/68/11/75/931681175.db2.gz UJLKEMRGCZYSKU-UHFFFAOYSA-N 1 0 412.490 4.030 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532969754 931718273 /nfs/dbraw/zinc/71/82/73/931718273.db2.gz CMVUHKFMGRIONR-UHFFFAOYSA-N 1 0 403.523 4.293 20 5 HIBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000533064839 931760774 /nfs/dbraw/zinc/76/07/74/931760774.db2.gz CZMPMFQJRIIPFP-UHFFFAOYSA-N 1 0 421.291 4.335 20 5 HIBDRO C[C@H](C[NH2+]Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000533129093 931775903 /nfs/dbraw/zinc/77/59/03/931775903.db2.gz YRGSHGHFLLRBGD-OAHLLOKOSA-N 1 0 420.531 4.207 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccncc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000533179028 931802547 /nfs/dbraw/zinc/80/25/47/931802547.db2.gz QUYILARIKIOLGI-UHFFFAOYSA-N 1 0 407.470 4.218 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@@]3(O)CCOC3)cc2[N+](=O)[O-])c1 ZINC000533177910 931802719 /nfs/dbraw/zinc/80/27/19/931802719.db2.gz LZOVOSOQXNXWJB-QFIPXVFZSA-N 1 0 400.475 4.060 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000533347542 931844631 /nfs/dbraw/zinc/84/46/31/931844631.db2.gz MXTQZVIDMLROLZ-CTNGQTDRSA-N 1 0 424.545 4.217 20 5 HIBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000533444976 931871118 /nfs/dbraw/zinc/87/11/18/931871118.db2.gz IHUVHGZSBPIGBD-UHFFFAOYSA-N 1 0 405.882 4.292 20 5 HIBDRO CC(C)[C@H](CO)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000533478638 931879411 /nfs/dbraw/zinc/87/94/11/931879411.db2.gz HTTLPSLYLYAHSQ-NRFANRHFSA-N 1 0 409.486 4.311 20 5 HIBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC(c1ccccc1)c1ccccc1 ZINC000533804361 932039473 /nfs/dbraw/zinc/03/94/73/932039473.db2.gz ZIKLHZJMMZLWBG-UHFFFAOYSA-N 1 0 415.493 4.249 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000534093325 932273352 /nfs/dbraw/zinc/27/33/52/932273352.db2.gz JZUGZRXGGPKXBQ-GGAORHGYSA-N 1 0 404.470 4.105 20 5 HIBDRO C[N@@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534227485 932346254 /nfs/dbraw/zinc/34/62/54/932346254.db2.gz XRESXTGYCRBASJ-IERDGZPVSA-N 1 0 419.884 4.129 20 5 HIBDRO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000535367931 933096714 /nfs/dbraw/zinc/09/67/14/933096714.db2.gz GEFXRQPUGMQNHB-UTKZUKDTSA-N 1 0 420.513 4.303 20 5 HIBDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673413 933321750 /nfs/dbraw/zinc/32/17/50/933321750.db2.gz XTNUHYOUSCKNNN-DNVCBOLYSA-N 1 0 405.857 4.119 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1Cc1ccccc1 ZINC000535694229 933349184 /nfs/dbraw/zinc/34/91/84/933349184.db2.gz REAVGMRJAUMMAS-AEFFLSMTSA-N 1 0 406.486 4.201 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000536122860 933672800 /nfs/dbraw/zinc/67/28/00/933672800.db2.gz FAHDMPATGFSDJI-MRXNPFEDSA-N 1 0 406.486 4.489 20 5 HIBDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000562593619 945106056 /nfs/dbraw/zinc/10/60/56/945106056.db2.gz SJTDTWCDOZURBQ-NEWSRXKRSA-N 1 0 417.941 4.353 20 5 HIBDRO COc1cc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)ccc1[N+](=O)[O-] ZINC000537606360 938332159 /nfs/dbraw/zinc/33/21/59/938332159.db2.gz CDLPNSAHFAZAAU-UHFFFAOYSA-N 1 0 421.291 4.161 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)o1 ZINC000537621787 938336747 /nfs/dbraw/zinc/33/67/47/938336747.db2.gz DRZGUCJIKVTFHY-LJQANCHMSA-N 1 0 400.475 4.405 20 5 HIBDRO O=C([C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1)N1CCCC1 ZINC000537627702 938339314 /nfs/dbraw/zinc/33/93/14/938339314.db2.gz BAASRQOWFYPKHC-HNNXBMFYSA-N 1 0 417.893 4.343 20 5 HIBDRO COc1cc(C[N@H+](C)CC2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000537630904 938340932 /nfs/dbraw/zinc/34/09/32/938340932.db2.gz HATKZANZRVLKQU-UHFFFAOYSA-N 1 0 400.475 4.041 20 5 HIBDRO COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000537634412 938342036 /nfs/dbraw/zinc/34/20/36/938342036.db2.gz JLXYNDPSDLDJIO-IBGZPJMESA-N 1 0 404.470 4.352 20 5 HIBDRO CCOCc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1OC ZINC000537635728 938342189 /nfs/dbraw/zinc/34/21/89/938342189.db2.gz PWBVERXLCPZOJH-UHFFFAOYSA-N 1 0 400.475 4.183 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000538032748 938474087 /nfs/dbraw/zinc/47/40/87/938474087.db2.gz QSMDQEPFLLMNDX-UHFFFAOYSA-N 1 0 407.580 4.294 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 ZINC000538124693 938510893 /nfs/dbraw/zinc/51/08/93/938510893.db2.gz NYNXBLSBUCJGPZ-KRWDZBQOSA-N 1 0 420.469 4.248 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000538124645 938510917 /nfs/dbraw/zinc/51/09/17/938510917.db2.gz HIHQZERUBMGDTP-SJORKVTESA-N 1 0 420.469 4.247 20 5 HIBDRO CCC(CC)[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000538179378 938539955 /nfs/dbraw/zinc/53/99/55/938539955.db2.gz HDYLUQTYEQSZRK-LJQANCHMSA-N 1 0 405.476 4.091 20 5 HIBDRO COc1cc(C)c([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000538189381 938545357 /nfs/dbraw/zinc/54/53/57/938545357.db2.gz YEHCAFVXMNBYJP-OAHLLOKOSA-N 1 0 411.458 4.469 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000538204663 938553584 /nfs/dbraw/zinc/55/35/84/938553584.db2.gz JNGACDMQHZPQJR-CQSZACIVSA-N 1 0 403.504 4.393 20 5 HIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(N2CCCC2=O)c1 ZINC000538210480 938557335 /nfs/dbraw/zinc/55/73/35/938557335.db2.gz INZWDWXRXRIRNW-MRXNPFEDSA-N 1 0 420.469 4.270 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538277579 938581755 /nfs/dbraw/zinc/58/17/55/938581755.db2.gz VCWDTYWGXWDNGZ-ZIAGYGMSSA-N 1 0 420.307 4.194 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)o2)c1 ZINC000538389125 938608911 /nfs/dbraw/zinc/60/89/11/938608911.db2.gz AQHPLHJHHHEQQH-HSZRJFAPSA-N 1 0 421.453 4.304 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(OCCO)cc3)o2)c(Cl)c1 ZINC000538409701 938613734 /nfs/dbraw/zinc/61/37/34/938613734.db2.gz VFRFPFIKTDJUQI-UHFFFAOYSA-N 1 0 402.834 4.169 20 5 HIBDRO CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539019651 938770790 /nfs/dbraw/zinc/77/07/90/938770790.db2.gz MCYDRZKYGXGVHR-NRFANRHFSA-N 1 0 417.531 4.010 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000539225820 938821440 /nfs/dbraw/zinc/82/14/40/938821440.db2.gz FYXMXUFGBJJJSK-OAHLLOKOSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539274376 938831557 /nfs/dbraw/zinc/83/15/57/938831557.db2.gz MKBOTWXXJRGUQL-JPYJTQIMSA-N 1 0 403.482 4.346 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000539301391 938837069 /nfs/dbraw/zinc/83/70/69/938837069.db2.gz GROWSVGSBNYLRX-AWEZNQCLSA-N 1 0 403.504 4.393 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000539328607 938842638 /nfs/dbraw/zinc/84/26/38/938842638.db2.gz YAHGZONVESBQOJ-CQSZACIVSA-N 1 0 401.438 4.120 20 5 HIBDRO Cn1cnc(CC[NH2+]Cc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)n1 ZINC000539520384 938872978 /nfs/dbraw/zinc/87/29/78/938872978.db2.gz IFCNWVMXRZFXFT-UHFFFAOYSA-N 1 0 409.490 4.145 20 5 HIBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539527469 938873565 /nfs/dbraw/zinc/87/35/65/938873565.db2.gz MHTRJLDDQCRTER-SBUREZEXSA-N 1 0 417.513 4.020 20 5 HIBDRO CCOc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539828496 938949234 /nfs/dbraw/zinc/94/92/34/938949234.db2.gz APNYOIXKNBRHFU-APWZRJJASA-N 1 0 416.522 4.198 20 5 HIBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c(C)o1 ZINC000539840317 938954450 /nfs/dbraw/zinc/95/44/50/938954450.db2.gz LKVLRPMQMSHPBD-UHFFFAOYSA-N 1 0 423.469 4.459 20 5 HIBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539894189 938970143 /nfs/dbraw/zinc/97/01/43/938970143.db2.gz GFBLFYXSFPHPLA-RFVSGWPVSA-N 1 0 419.909 4.192 20 5 HIBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000540138788 939087102 /nfs/dbraw/zinc/08/71/02/939087102.db2.gz GSSFTYYQPLFMBK-JHVJFLLYSA-N 1 0 403.910 4.279 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000540149497 939092020 /nfs/dbraw/zinc/09/20/20/939092020.db2.gz UVSNRPAIIIAIIY-RBUKOAKNSA-N 1 0 413.543 4.104 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000540149492 939092240 /nfs/dbraw/zinc/09/22/40/939092240.db2.gz UVSNRPAIIIAIIY-MOPGFXCFSA-N 1 0 413.543 4.104 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(F)ccc1Br ZINC000540192053 939117285 /nfs/dbraw/zinc/11/72/85/939117285.db2.gz YMVSIUBYRJQOPT-LLVKDONJSA-N 1 0 410.243 4.003 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540328204 939196421 /nfs/dbraw/zinc/19/64/21/939196421.db2.gz WAZSOQWCCRQBHH-QGZVFWFLSA-N 1 0 420.469 4.167 20 5 HIBDRO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540408125 939237753 /nfs/dbraw/zinc/23/77/53/939237753.db2.gz IHBBEOZANKVKAE-HXUWFJFHSA-N 1 0 417.849 4.046 20 5 HIBDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000540459585 939260778 /nfs/dbraw/zinc/26/07/78/939260778.db2.gz NPNCQXAZKKIBIT-LAUBAEHRSA-N 1 0 422.481 4.361 20 5 HIBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000540554241 939303032 /nfs/dbraw/zinc/30/30/32/939303032.db2.gz METLOXYPZUDBFG-IZKUIKQZSA-N 1 0 423.513 4.350 20 5 HIBDRO Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000540648716 939330099 /nfs/dbraw/zinc/33/00/99/939330099.db2.gz JSABCGRMKQLFTM-UHFFFAOYSA-N 1 0 406.486 4.020 20 5 HIBDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540753990 939360218 /nfs/dbraw/zinc/36/02/18/939360218.db2.gz UFAFUMOYTXGYFP-WZONZLPQSA-N 1 0 403.482 4.173 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000541104073 939461433 /nfs/dbraw/zinc/46/14/33/939461433.db2.gz MQIRHBNUSSWVGP-UHFFFAOYSA-N 1 0 406.527 4.215 20 5 HIBDRO CCc1ccc([C@H]([NH2+]CCCNC(=O)c2cccs2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541565033 939556685 /nfs/dbraw/zinc/55/66/85/939556685.db2.gz MEMJXSXTUPXWEW-HXUWFJFHSA-N 1 0 413.499 4.311 20 5 HIBDRO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541673313 939597079 /nfs/dbraw/zinc/59/70/79/939597079.db2.gz ULEQSUSNAGPRHJ-LBPRGKRZSA-N 1 0 409.845 4.070 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000541763444 939624233 /nfs/dbraw/zinc/62/42/33/939624233.db2.gz LHZSEKSWXRKNFO-IBGZPJMESA-N 1 0 419.485 4.258 20 5 HIBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952537 939661194 /nfs/dbraw/zinc/66/11/94/939661194.db2.gz QHEYNBHXDMAZJQ-CVEARBPZSA-N 1 0 407.474 4.075 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542011932 939684032 /nfs/dbraw/zinc/68/40/32/939684032.db2.gz HINQBQWFDQHPKM-UHFFFAOYSA-N 1 0 410.946 4.021 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000542500251 939833228 /nfs/dbraw/zinc/83/32/28/939833228.db2.gz UBKQSSFVXQPIDZ-NSHDSACASA-N 1 0 412.227 4.059 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000542557394 939843407 /nfs/dbraw/zinc/84/34/07/939843407.db2.gz UTCLSKUHCXFXEK-KRWDZBQOSA-N 1 0 419.481 4.352 20 5 HIBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000542624300 939849911 /nfs/dbraw/zinc/84/99/11/939849911.db2.gz HAUQKBYRJQEEDG-ZDUSSCGKSA-N 1 0 403.891 4.489 20 5 HIBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542649804 939851630 /nfs/dbraw/zinc/85/16/30/939851630.db2.gz PFLBJTGJHMHSSF-QGZVFWFLSA-N 1 0 405.564 4.339 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC000542916953 939877507 /nfs/dbraw/zinc/87/75/07/939877507.db2.gz RDZGAPBESYXSDW-DLBZAZTESA-N 1 0 416.522 4.141 20 5 HIBDRO COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542962444 939886927 /nfs/dbraw/zinc/88/69/27/939886927.db2.gz QJNMSYOOXYDCDJ-APWZRJJASA-N 1 0 412.490 4.120 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000543184431 939989782 /nfs/dbraw/zinc/98/97/82/939989782.db2.gz WQCCVXPEYOHBBR-HXUWFJFHSA-N 1 0 406.479 4.029 20 5 HIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000543498312 940085723 /nfs/dbraw/zinc/08/57/23/940085723.db2.gz WJUDUTHQCMGFJC-SNVBAGLBSA-N 1 0 402.398 4.140 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3c4ccccc4sc32)cc1 ZINC000543598386 940126394 /nfs/dbraw/zinc/12/63/94/940126394.db2.gz ZOOLGLDXKCBIBM-SFHVURJKSA-N 1 0 416.524 4.250 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccccc1Br ZINC000543778082 940184231 /nfs/dbraw/zinc/18/42/31/940184231.db2.gz TWLBLPVLWDAUOK-KSSFIOAISA-N 1 0 407.308 4.392 20 5 HIBDRO Cc1cc(N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543978001 940281553 /nfs/dbraw/zinc/28/15/53/940281553.db2.gz WYCRECGNVFEKAF-IBGZPJMESA-N 1 0 408.502 4.070 20 5 HIBDRO COc1cc(C[NH+]2CCC(c3ccc(C)nc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543989773 940286636 /nfs/dbraw/zinc/28/66/36/940286636.db2.gz ZQEHFEZLGMPZKR-UHFFFAOYSA-N 1 0 421.444 4.330 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000544369421 940403890 /nfs/dbraw/zinc/40/38/90/940403890.db2.gz SQESYRFUQLXTHF-LBPRGKRZSA-N 1 0 411.380 4.129 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000563853592 945315018 /nfs/dbraw/zinc/31/50/18/945315018.db2.gz BBAGJJAGJYUISO-GDBMZVCRSA-N 1 0 407.308 4.168 20 5 HIBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)c21 ZINC000544394721 940410814 /nfs/dbraw/zinc/41/08/14/940410814.db2.gz RAMSRVBISQCEHK-ICSRJNTNSA-N 1 0 403.486 4.029 20 5 HIBDRO Cc1c(Br)c(NCc2cccc(C[NH+]3CCCC3)c2)ncc1[N+](=O)[O-] ZINC000544409782 940416350 /nfs/dbraw/zinc/41/63/50/940416350.db2.gz MNUPLAFFDSGCPO-UHFFFAOYSA-N 1 0 405.296 4.269 20 5 HIBDRO CC[N@H+](Cc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1)C1CC1 ZINC000544544487 940475869 /nfs/dbraw/zinc/47/58/69/940475869.db2.gz DCTHAVOZKJJMHC-UHFFFAOYSA-N 1 0 407.474 4.284 20 5 HIBDRO COc1cc(-c2nc(-c3ccccc3C[NH+]3CCCCC3)no2)cc([N+](=O)[O-])c1OC ZINC000544819450 940517150 /nfs/dbraw/zinc/51/71/50/940517150.db2.gz TTZYUPPQDRYUPW-UHFFFAOYSA-N 1 0 424.457 4.315 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545156105 940551866 /nfs/dbraw/zinc/55/18/66/940551866.db2.gz HHWFOUAFSWYGAB-UHFFFAOYSA-N 1 0 401.482 4.122 20 5 HIBDRO CC(C)(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000545166757 940553431 /nfs/dbraw/zinc/55/34/31/940553431.db2.gz CDPBJGYZZJFOPS-QGZVFWFLSA-N 1 0 405.495 4.026 20 5 HIBDRO O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c1 ZINC000545683235 940580492 /nfs/dbraw/zinc/58/04/92/940580492.db2.gz MMYJDOCGVJZXGG-UHFFFAOYSA-N 1 0 403.442 4.244 20 5 HIBDRO CC(C)(C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000545844110 940628742 /nfs/dbraw/zinc/62/87/42/940628742.db2.gz CBAMZERMKKMUKQ-UHFFFAOYSA-N 1 0 405.514 4.126 20 5 HIBDRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000545856045 940639652 /nfs/dbraw/zinc/63/96/52/940639652.db2.gz GCXQCSDCXKYUTC-UHFFFAOYSA-N 1 0 423.872 4.244 20 5 HIBDRO O=[N+]([O-])c1ccccc1NCCc1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000546405145 940812331 /nfs/dbraw/zinc/81/23/31/940812331.db2.gz JLAKFJPGNYZVMZ-UHFFFAOYSA-N 1 0 407.474 4.285 20 5 HIBDRO C[C@@H](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@H+](C)Cc1ccccc1 ZINC000546535500 940846534 /nfs/dbraw/zinc/84/65/34/940846534.db2.gz HMGVLWHBTUDLON-INIZCTEOSA-N 1 0 401.482 4.038 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000546872141 940898783 /nfs/dbraw/zinc/89/87/83/940898783.db2.gz IQVRJUYSCCGTNO-YRVVQQKDSA-N 1 0 405.882 4.331 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000546872140 940898925 /nfs/dbraw/zinc/89/89/25/940898925.db2.gz IQVRJUYSCCGTNO-MNVSYLFESA-N 1 0 405.882 4.331 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000547263890 941047544 /nfs/dbraw/zinc/04/75/44/941047544.db2.gz KNBURNBPXIUZOD-IAGOWNOFSA-N 1 0 405.514 4.125 20 5 HIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000547947699 941080108 /nfs/dbraw/zinc/08/01/08/941080108.db2.gz OZTSVMQKXLFNGZ-CQSZACIVSA-N 1 0 410.243 4.176 20 5 HIBDRO O=C(CC[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548826081 941125485 /nfs/dbraw/zinc/12/54/85/941125485.db2.gz MQVMAZDQJDILJN-FQEVSTJZSA-N 1 0 416.909 4.004 20 5 HIBDRO CN(C(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000549078616 941153733 /nfs/dbraw/zinc/15/37/33/941153733.db2.gz BDIGKLVVXMTFGM-LJQANCHMSA-N 1 0 407.392 4.317 20 5 HIBDRO Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549143553 941165179 /nfs/dbraw/zinc/16/51/79/941165179.db2.gz KPNFKTZUGWMFGS-UHFFFAOYSA-N 1 0 401.429 4.003 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000549170231 941168133 /nfs/dbraw/zinc/16/81/33/941168133.db2.gz JBQZVVFPQGRFDB-SFHVURJKSA-N 1 0 409.408 4.427 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H]3CCC(=O)N[C@@H]3C3CC3)cc2[N+](=O)[O-])cc1 ZINC000551620552 941514105 /nfs/dbraw/zinc/51/41/05/941514105.db2.gz XXWBEZYEAQUCNQ-PGRDOPGGSA-N 1 0 411.527 4.201 20 5 HIBDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552067634 941578616 /nfs/dbraw/zinc/57/86/16/941578616.db2.gz SABQPIFUQKIKLI-XMSQKQJNSA-N 1 0 406.486 4.136 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cc(F)c(F)cc2Br)n1 ZINC000552096030 941584071 /nfs/dbraw/zinc/58/40/71/941584071.db2.gz NUYOSOWJFFMAJQ-LSDHHAIUSA-N 1 0 415.238 4.106 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000552270997 941619421 /nfs/dbraw/zinc/61/94/21/941619421.db2.gz MYYZAQLKPRLUOA-SYYKKAFVSA-N 1 0 411.502 4.173 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000552308181 941628362 /nfs/dbraw/zinc/62/83/62/941628362.db2.gz KJYDEDCNSWPUCG-QGZVFWFLSA-N 1 0 406.866 4.278 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552911758 941801942 /nfs/dbraw/zinc/80/19/42/941801942.db2.gz OOHVFNGPGOSCCT-AAEUAGOBSA-N 1 0 413.421 4.137 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553336020 941869151 /nfs/dbraw/zinc/86/91/51/941869151.db2.gz DJLRSMXTXFTCPS-LJQANCHMSA-N 1 0 406.408 4.111 20 5 HIBDRO CC(=O)c1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000553488338 941894260 /nfs/dbraw/zinc/89/42/60/941894260.db2.gz IHBZHJVJBVQFFT-UHFFFAOYSA-N 1 0 411.502 4.281 20 5 HIBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000554740986 942217391 /nfs/dbraw/zinc/21/73/91/942217391.db2.gz FQGYWQRQQWNRPP-LJQANCHMSA-N 1 0 401.463 4.024 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000555010404 942354553 /nfs/dbraw/zinc/35/45/53/942354553.db2.gz ARRZXOVRKNDNJR-DENIHFKCSA-N 1 0 423.513 4.120 20 5 HIBDRO O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000555217072 942433860 /nfs/dbraw/zinc/43/38/60/942433860.db2.gz DQJOGSJKFVDUFU-UHFFFAOYSA-N 1 0 411.487 4.228 20 5 HIBDRO 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 943361124 /nfs/dbraw/zinc/36/11/24/943361124.db2.gz XRKALXYKMQLZAI-NPPFBWRTSA-N 1 0 422.529 4.009 20 5 HIBDRO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC(F)(F)CC1 ZINC000558173961 943408840 /nfs/dbraw/zinc/40/88/40/943408840.db2.gz CCQPETCKUXIXKR-UHFFFAOYSA-N 1 0 410.446 4.167 20 5 HIBDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1 ZINC000558226481 943445433 /nfs/dbraw/zinc/44/54/33/943445433.db2.gz OHWJSFFQZWPTDG-IBGZPJMESA-N 1 0 420.897 4.460 20 5 HIBDRO COc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000558413682 943552884 /nfs/dbraw/zinc/55/28/84/943552884.db2.gz OFFDHAYWXPUIAC-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000558774535 943657163 /nfs/dbraw/zinc/65/71/63/943657163.db2.gz VIFDXYVAJWUDLH-UHFFFAOYSA-N 1 0 411.502 4.155 20 5 HIBDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000558894651 943727756 /nfs/dbraw/zinc/72/77/56/943727756.db2.gz FKYHVCYCMCPGJZ-NHCUHLMSSA-N 1 0 401.894 4.324 20 5 HIBDRO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000558935319 943756408 /nfs/dbraw/zinc/75/64/08/943756408.db2.gz PPXLPPQDPKMSAN-JOCHJYFZSA-N 1 0 421.501 4.034 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000560482171 944236675 /nfs/dbraw/zinc/23/66/75/944236675.db2.gz KXNZJWOZASTXGX-HNNXBMFYSA-N 1 0 419.572 4.281 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000560541487 944247504 /nfs/dbraw/zinc/24/75/04/944247504.db2.gz OIMZZIJKKFCMRG-UYKQMDHISA-N 1 0 411.502 4.171 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000560569361 944256571 /nfs/dbraw/zinc/25/65/71/944256571.db2.gz DCYZHJQWWZMDTD-UIXUWTQFSA-N 1 0 412.490 4.076 20 5 HIBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000561403510 944581112 /nfs/dbraw/zinc/58/11/12/944581112.db2.gz GFIJVGMMHACVPF-CQSZACIVSA-N 1 0 405.882 4.148 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000561458991 944613290 /nfs/dbraw/zinc/61/32/90/944613290.db2.gz NQXIBMTWPUJRID-UHFFFAOYSA-N 1 0 405.520 4.282 20 5 HIBDRO C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000561533186 944659826 /nfs/dbraw/zinc/65/98/26/944659826.db2.gz IZJDXZBAEYVNNB-SFHVURJKSA-N 1 0 423.513 4.120 20 5 HIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000561758315 944782685 /nfs/dbraw/zinc/78/26/85/944782685.db2.gz XVEIJIUJNMCNGC-OAHLLOKOSA-N 1 0 401.429 4.141 20 5 HIBDRO C[C@@H](C[NH+](C)C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000561768819 944788009 /nfs/dbraw/zinc/78/80/09/944788009.db2.gz WALLMIRAASZREW-ZKMNFCBKSA-N 1 0 424.526 4.202 20 5 HIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(Br)cc1F ZINC000561782784 944795569 /nfs/dbraw/zinc/79/55/69/944795569.db2.gz QVFHUZKYFWRHBU-JTQLQIEISA-N 1 0 407.243 4.266 20 5 HIBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000561974573 944882985 /nfs/dbraw/zinc/88/29/85/944882985.db2.gz HEEFZMSHDINLGN-SFHVURJKSA-N 1 0 415.465 4.407 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3O)o2)c(Br)c1 ZINC000564116842 945385654 /nfs/dbraw/zinc/38/56/54/945385654.db2.gz LBWFVMFVDFPAJP-IAGOWNOFSA-N 1 0 409.280 4.401 20 5 HIBDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564135520 945395972 /nfs/dbraw/zinc/39/59/72/945395972.db2.gz RNBPCJGNIKLCFI-UHFFFAOYSA-N 1 0 403.486 4.270 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000564390393 945548894 /nfs/dbraw/zinc/54/88/94/945548894.db2.gz QAXMOAVKJVEBLS-MRXNPFEDSA-N 1 0 424.339 4.132 20 5 HIBDRO CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000564521180 945648894 /nfs/dbraw/zinc/64/88/94/945648894.db2.gz PZIJNFTZNGIORH-IBGZPJMESA-N 1 0 411.502 4.026 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H](CO)c3cccnc3)cc2[N+](=O)[O-])cc1 ZINC000564679695 945726055 /nfs/dbraw/zinc/72/60/55/945726055.db2.gz GCTWCPQEDQXXBP-LJQANCHMSA-N 1 0 409.511 4.315 20 5 HIBDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000564760152 945752057 /nfs/dbraw/zinc/75/20/57/945752057.db2.gz MBUBSVUHIGPPNU-HSZRJFAPSA-N 1 0 419.481 4.140 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3ccc([S@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000565090854 945773003 /nfs/dbraw/zinc/77/30/03/945773003.db2.gz IAKZNISRTKZAJI-ONSXPEOJSA-N 1 0 414.483 4.452 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000565296702 945806078 /nfs/dbraw/zinc/80/60/78/945806078.db2.gz FCCWEMOSTSSMEU-OAHLLOKOSA-N 1 0 422.441 4.080 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000565296701 945806223 /nfs/dbraw/zinc/80/62/23/945806223.db2.gz FCCWEMOSTSSMEU-HNNXBMFYSA-N 1 0 422.441 4.080 20 5 HIBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000567272836 946285939 /nfs/dbraw/zinc/28/59/39/946285939.db2.gz SGOJPZVWBGEPBM-NNWRFLSQSA-N 1 0 422.529 4.099 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000567936492 946427946 /nfs/dbraw/zinc/42/79/46/946427946.db2.gz ZUYPBJWWCYJFIE-LJQANCHMSA-N 1 0 424.545 4.353 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@H](COC(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568565608 946602169 /nfs/dbraw/zinc/60/21/69/946602169.db2.gz WOUQNXSNMXARBH-KRWDZBQOSA-N 1 0 422.428 4.244 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569048534 946809234 /nfs/dbraw/zinc/80/92/34/946809234.db2.gz RMFDSAHMHDXSFL-IBGZPJMESA-N 1 0 411.424 4.456 20 5 HIBDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000570205580 947142318 /nfs/dbraw/zinc/14/23/18/947142318.db2.gz JRNBDLYAJGXMTG-HSZRJFAPSA-N 1 0 419.481 4.424 20 5 HIBDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000570369304 947224184 /nfs/dbraw/zinc/22/41/84/947224184.db2.gz NKJZWFRFNJCVHO-NRFANRHFSA-N 1 0 419.481 4.424 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)s2)cc1 ZINC000570485283 947264998 /nfs/dbraw/zinc/26/49/98/947264998.db2.gz VIUQLGRYYGVEAA-CZUORRHYSA-N 1 0 400.422 4.316 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572203876 947862571 /nfs/dbraw/zinc/86/25/71/947862571.db2.gz WWBQNGLOHZHHDW-UHFFFAOYSA-N 1 0 416.497 4.023 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000574108771 948366513 /nfs/dbraw/zinc/36/65/13/948366513.db2.gz VVZBPMZWZILHEC-DVECYGJZSA-N 1 0 422.529 4.272 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)CC2)CC1 ZINC000574320504 948412281 /nfs/dbraw/zinc/41/22/81/948412281.db2.gz XIMZFFGATZULQN-UHFFFAOYSA-N 1 0 413.440 4.387 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@](CO)(Cc4ccc(F)cc4)C3)o2)cc1 ZINC000574845403 948542239 /nfs/dbraw/zinc/54/22/39/948542239.db2.gz BXYKGIIGFLEHIO-HSZRJFAPSA-N 1 0 410.445 4.421 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000575222755 948636612 /nfs/dbraw/zinc/63/66/12/948636612.db2.gz RXWSNXKIFDYVHW-UHFFFAOYSA-N 1 0 406.433 4.031 20 5 HIBDRO CSc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000575452962 948669070 /nfs/dbraw/zinc/66/90/70/948669070.db2.gz YRCVIINRFNEUEF-JOCHJYFZSA-N 1 0 411.527 4.055 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000575977928 948806659 /nfs/dbraw/zinc/80/66/59/948806659.db2.gz YUDZGNXJOOKAMI-KRWDZBQOSA-N 1 0 408.239 4.440 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164619225 719056167 /nfs/dbraw/zinc/05/61/67/719056167.db2.gz CBNROVCGSUFVBK-CRAIPNDOSA-N 1 0 422.863 4.289 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629159 719068029 /nfs/dbraw/zinc/06/80/29/719068029.db2.gz WDDAILJYIXZUMD-WMLDXEAASA-N 1 0 407.301 4.397 20 5 HIBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728285 720478625 /nfs/dbraw/zinc/47/86/25/720478625.db2.gz OYIYTEHZTCXLCX-MSOLQXFVSA-N 1 0 409.877 4.045 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]21 ZINC001165027451 721809977 /nfs/dbraw/zinc/80/99/77/721809977.db2.gz UTEAEBVKYFBFAA-ZPMCFJSWSA-N 1 0 417.513 4.275 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001165027361 721810416 /nfs/dbraw/zinc/81/04/16/721810416.db2.gz UJIWKYVKKWDXPU-SESVDKBCSA-N 1 0 417.513 4.275 20 5 HIBDRO Clc1ccc2ccc3ccc(N4CC[NH+](CCc5ccccn5)CC4)nc3c2n1 ZINC001165055042 722013902 /nfs/dbraw/zinc/01/39/02/722013902.db2.gz AOJGZVORKDBSEU-UHFFFAOYSA-N 1 0 403.917 4.196 20 5 HIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994847 722197338 /nfs/dbraw/zinc/19/73/38/722197338.db2.gz QFCCOLIOZBRWIN-HXUWFJFHSA-N 1 0 404.873 4.336 20 5 HIBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436079875 861361030 /nfs/dbraw/zinc/36/10/30/861361030.db2.gz SYLMFJGJVZKJHF-CQSZACIVSA-N 1 0 415.484 4.200 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436157807 861458043 /nfs/dbraw/zinc/45/80/43/861458043.db2.gz XDOHQNIPPRIDFP-IAGOWNOFSA-N 1 0 405.542 4.168 20 5 HIBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436234086 861540477 /nfs/dbraw/zinc/54/04/77/861540477.db2.gz WGWWPOIHPIQUMN-UHFFFAOYSA-N 1 0 403.526 4.066 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+]CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000011046620 845748739 /nfs/dbraw/zinc/74/87/39/845748739.db2.gz OXFNSSWWCBISIJ-QGZVFWFLSA-N 1 0 419.481 4.352 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000436305237 861608923 /nfs/dbraw/zinc/60/89/23/861608923.db2.gz FUPMWFGOBXWTKL-LBPRGKRZSA-N 1 0 400.426 4.394 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)[NH+](C)C)cc1 ZINC000436320395 861624341 /nfs/dbraw/zinc/62/43/41/861624341.db2.gz VSUIUAVYDVOKDF-OAQYLSRUSA-N 1 0 417.484 4.162 20 5 HIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023139373 846664275 /nfs/dbraw/zinc/66/42/75/846664275.db2.gz VCRNTMNVTWXMDC-BJMVGYQFSA-N 1 0 414.893 4.042 20 5 HIBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 ZINC000436404099 861752024 /nfs/dbraw/zinc/75/20/24/861752024.db2.gz CYBKIDXPHDUEOO-UHFFFAOYSA-N 1 0 421.447 4.316 20 5 HIBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000027969009 847369467 /nfs/dbraw/zinc/36/94/67/847369467.db2.gz HBRMYVMSFVLLCE-UHFFFAOYSA-N 1 0 417.531 4.469 20 5 HIBDRO CC1CC[NH+](CCCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000028066623 847381929 /nfs/dbraw/zinc/38/19/29/847381929.db2.gz CTSRXQNXFVGKFG-UHFFFAOYSA-N 1 0 410.518 4.059 20 5 HIBDRO CC[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000029909777 847648387 /nfs/dbraw/zinc/64/83/87/847648387.db2.gz NAXHKGRLIPXNMR-LPHOPBHVSA-N 1 0 413.543 4.029 20 5 HIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000030492462 847721357 /nfs/dbraw/zinc/72/13/57/847721357.db2.gz UGERBDHCFHUCOQ-CABCVRRESA-N 1 0 401.463 4.068 20 5 HIBDRO C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000030511162 847724686 /nfs/dbraw/zinc/72/46/86/847724686.db2.gz ZMKNCMSVEFOTEK-MRXNPFEDSA-N 1 0 409.442 4.021 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031987784 847975963 /nfs/dbraw/zinc/97/59/63/847975963.db2.gz CFOAPKKCINSPSI-HXUWFJFHSA-N 1 0 416.547 4.069 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2[N+](=O)[O-])n1 ZINC000032244049 847993495 /nfs/dbraw/zinc/99/34/95/847993495.db2.gz CMKFALXTMFPLSQ-UHFFFAOYSA-N 1 0 422.576 4.360 20 5 HIBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000033084042 848106709 /nfs/dbraw/zinc/10/67/09/848106709.db2.gz ZIQAEPSVFLTBAB-UHFFFAOYSA-N 1 0 418.497 4.199 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 ZINC000043689904 848450631 /nfs/dbraw/zinc/45/06/31/848450631.db2.gz RWPPENFMWYFCFL-UHFFFAOYSA-N 1 0 403.504 4.290 20 5 HIBDRO O=C(NC1CC1)c1ccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccco2)cc1 ZINC000052530601 849592166 /nfs/dbraw/zinc/59/21/66/849592166.db2.gz IJJVOTZGKOHBJL-UHFFFAOYSA-N 1 0 419.481 4.325 20 5 HIBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000052706040 849616019 /nfs/dbraw/zinc/61/60/19/849616019.db2.gz LZAAYXPHVGZEIU-HNNXBMFYSA-N 1 0 401.463 4.024 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000053278767 849689361 /nfs/dbraw/zinc/68/93/61/849689361.db2.gz JOYFLELPYLYIAZ-GOSISDBHSA-N 1 0 403.866 4.423 20 5 HIBDRO C[C@@H](Nc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053346573 849698149 /nfs/dbraw/zinc/69/81/49/849698149.db2.gz KRQPICRTOSGSSV-MRXNPFEDSA-N 1 0 419.485 4.477 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000055751992 850134589 /nfs/dbraw/zinc/13/45/89/850134589.db2.gz XERSZUMZWLFTCW-LJQANCHMSA-N 1 0 417.893 4.214 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000056196552 850279938 /nfs/dbraw/zinc/27/99/38/850279938.db2.gz SGQQLSVJCWTBGV-STQMWFEESA-N 1 0 406.280 4.344 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000058296694 850794850 /nfs/dbraw/zinc/79/48/50/850794850.db2.gz IGOIITBFKFZDKW-MRXNPFEDSA-N 1 0 406.486 4.238 20 5 HIBDRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000059286746 850993010 /nfs/dbraw/zinc/99/30/10/850993010.db2.gz JCGCZKQASCZMEY-IRXDYDNUSA-N 1 0 411.502 4.011 20 5 HIBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000060100871 851042237 /nfs/dbraw/zinc/04/22/37/851042237.db2.gz GNOIVIIGNIKEAT-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO CC[NH+](CC)[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccc1 ZINC000060159935 851046828 /nfs/dbraw/zinc/04/68/28/851046828.db2.gz CXKNCQFTJOXHPV-OAQYLSRUSA-N 1 0 421.501 4.054 20 5 HIBDRO CCC[NH+]1CCC(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000061016534 851274424 /nfs/dbraw/zinc/27/44/24/851274424.db2.gz SWALAOWALWQKMY-UHFFFAOYSA-N 1 0 413.518 4.146 20 5 HIBDRO O=C(NCCC[NH+]1CCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000061239033 851326343 /nfs/dbraw/zinc/32/63/43/851326343.db2.gz WDBGDCINZROOMP-UHFFFAOYSA-N 1 0 403.866 4.256 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000063069712 851610189 /nfs/dbraw/zinc/61/01/89/851610189.db2.gz VBJITDYSENHYAT-ROUUACIJSA-N 1 0 410.518 4.072 20 5 HIBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064947208 852027360 /nfs/dbraw/zinc/02/73/60/852027360.db2.gz HGDLLRZNLNRYBW-UHFFFAOYSA-N 1 0 414.531 4.056 20 5 HIBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000065938999 852328086 /nfs/dbraw/zinc/32/80/86/852328086.db2.gz OBHJXWVMIVSZIO-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000072006504 852462120 /nfs/dbraw/zinc/46/21/20/852462120.db2.gz IIQGAEWTNZQXED-HXUWFJFHSA-N 1 0 401.894 4.451 20 5 HIBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000437192548 862384549 /nfs/dbraw/zinc/38/45/49/862384549.db2.gz YMFWMAGVSWPPIQ-HNNXBMFYSA-N 1 0 420.560 4.067 20 5 HIBDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000106276038 852767212 /nfs/dbraw/zinc/76/72/12/852767212.db2.gz KXPCOAFGIRWYDN-LSDHHAIUSA-N 1 0 401.463 4.068 20 5 HIBDRO CCc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108851307 852886281 /nfs/dbraw/zinc/88/62/81/852886281.db2.gz ZVVJCMQHLVEKNJ-LJQANCHMSA-N 1 0 407.474 4.456 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000112654734 853236602 /nfs/dbraw/zinc/23/66/02/853236602.db2.gz LUGVTNWOBFEKOL-NRFANRHFSA-N 1 0 417.481 4.063 20 5 HIBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000115859979 853268519 /nfs/dbraw/zinc/26/85/19/853268519.db2.gz NWTSFECTOOSTRO-IRXDYDNUSA-N 1 0 411.502 4.011 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145790176 853557421 /nfs/dbraw/zinc/55/74/21/853557421.db2.gz LDMUIESCSRFBEE-HNNXBMFYSA-N 1 0 419.572 4.165 20 5 HIBDRO Cc1c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000170497831 853667153 /nfs/dbraw/zinc/66/71/53/853667153.db2.gz QTROEQHLFDDLDS-UHFFFAOYSA-N 1 0 412.446 4.296 20 5 HIBDRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000195691227 853760570 /nfs/dbraw/zinc/76/05/70/853760570.db2.gz AXXMXQSNCGBDIN-UHFFFAOYSA-N 1 0 421.419 4.270 20 5 HIBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000195724830 853779526 /nfs/dbraw/zinc/77/95/26/853779526.db2.gz MLMWMLNEGZYXDP-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO COC(=O)/C=C\c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000212672927 853821469 /nfs/dbraw/zinc/82/14/69/853821469.db2.gz VRARZKKYIALEPW-YPLUBFQTSA-N 1 0 401.488 4.092 20 5 HIBDRO CC(C)CC(=O)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236605029 853901394 /nfs/dbraw/zinc/90/13/94/853901394.db2.gz XDFOJNJHZLACDE-UHFFFAOYSA-N 1 0 401.532 4.450 20 5 HIBDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000236679186 853910540 /nfs/dbraw/zinc/91/05/40/853910540.db2.gz IRAQCGVHNAXFIG-IAGOWNOFSA-N 1 0 401.532 4.496 20 5 HIBDRO C[NH+](C)CCn1cc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000237006972 853950043 /nfs/dbraw/zinc/95/00/43/853950043.db2.gz ZIOYQFXIWWYXJI-UHFFFAOYSA-N 1 0 415.881 4.411 20 5 HIBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000237023281 853952770 /nfs/dbraw/zinc/95/27/70/853952770.db2.gz IADKSKAXXCTBEW-APWZRJJASA-N 1 0 416.522 4.246 20 5 HIBDRO C[NH+]1CCN(Cc2cccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)CC1 ZINC000237094734 853963109 /nfs/dbraw/zinc/96/31/09/853963109.db2.gz LUGLZFWJYVXZDK-UHFFFAOYSA-N 1 0 423.542 4.078 20 5 HIBDRO COc1cc(C[NH2+]CCc2csc(C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237204442 853982241 /nfs/dbraw/zinc/98/22/41/853982241.db2.gz TXORYCRLRQDSNU-UHFFFAOYSA-N 1 0 413.499 4.280 20 5 HIBDRO COc1ccccc1[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C ZINC000237217455 853984487 /nfs/dbraw/zinc/98/44/87/853984487.db2.gz CZBSLYASRDBHRI-LJQANCHMSA-N 1 0 412.515 4.119 20 5 HIBDRO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000237355735 854012990 /nfs/dbraw/zinc/01/29/90/854012990.db2.gz BGDZTDACMQLGTK-UHFFFAOYSA-N 1 0 416.524 4.158 20 5 HIBDRO COc1ccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000237367872 854015730 /nfs/dbraw/zinc/01/57/30/854015730.db2.gz HSLHWHWXPIAWGA-UHFFFAOYSA-N 1 0 424.419 4.460 20 5 HIBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237458650 854036652 /nfs/dbraw/zinc/03/66/52/854036652.db2.gz YAJJTKHDHSOIMM-HOCLYGCPSA-N 1 0 406.866 4.324 20 5 HIBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237477018 854042563 /nfs/dbraw/zinc/04/25/63/854042563.db2.gz GEBUQGGHMRGHAH-ROUUACIJSA-N 1 0 409.280 4.258 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCN(CC(F)(F)F)C3)o2)c(Cl)c1 ZINC000237866894 854111820 /nfs/dbraw/zinc/11/18/20/854111820.db2.gz DENYQIJZJYUYQB-GFCCVEGCSA-N 1 0 417.815 4.482 20 5 HIBDRO Cn1cc(C[NH2+]CCOc2cccc(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237918068 854119102 /nfs/dbraw/zinc/11/91/02/854119102.db2.gz VQBZATOLTARMIB-UHFFFAOYSA-N 1 0 420.391 4.183 20 5 HIBDRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000237937397 854121698 /nfs/dbraw/zinc/12/16/98/854121698.db2.gz BIBFUBWRRQXNCQ-GJZGRUSLSA-N 1 0 403.866 4.174 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CC[N@H+](CCc4ccccc4)C3)cs2)c1 ZINC000238007521 854132863 /nfs/dbraw/zinc/13/28/63/854132863.db2.gz SZTRAMDKJGSDHU-IBGZPJMESA-N 1 0 422.554 4.373 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[C@H](O)C3)o2)c(Br)c1 ZINC000238005291 854132965 /nfs/dbraw/zinc/13/29/65/854132965.db2.gz ORQXRHGGOQPQGU-JSGCOSHPSA-N 1 0 409.280 4.258 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCN(Cc4ccccc4)C3)cs2)c1 ZINC000238010267 854133466 /nfs/dbraw/zinc/13/34/66/854133466.db2.gz KQYGPIFWNZQWDE-IBGZPJMESA-N 1 0 408.527 4.473 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301100520 854295896 /nfs/dbraw/zinc/29/58/96/854295896.db2.gz OEMQOPWNXFJSFY-UHFFFAOYSA-N 1 0 407.474 4.088 20 5 HIBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 ZINC000301287250 854348379 /nfs/dbraw/zinc/34/83/79/854348379.db2.gz RITIVCLSFHGOQQ-UHFFFAOYSA-N 1 0 414.815 4.374 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301534365 854415286 /nfs/dbraw/zinc/41/52/86/854415286.db2.gz LDWFVPFOELIBSY-YLJYHZDGSA-N 1 0 410.518 4.198 20 5 HIBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000301932288 854496879 /nfs/dbraw/zinc/49/68/79/854496879.db2.gz MJKFZRAEZYTRPA-UHFFFAOYSA-N 1 0 423.560 4.048 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301935731 854497796 /nfs/dbraw/zinc/49/77/96/854497796.db2.gz RCTBBRIKHMTWBT-AWEZNQCLSA-N 1 0 411.344 4.233 20 5 HIBDRO Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302202173 854550054 /nfs/dbraw/zinc/55/00/54/854550054.db2.gz VTIPTUKNBDKUTM-IYBDPMFKSA-N 1 0 407.474 4.072 20 5 HIBDRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000302615609 854592372 /nfs/dbraw/zinc/59/23/72/854592372.db2.gz YFPINQVQTLKPLY-NRFANRHFSA-N 1 0 408.454 4.006 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000303180740 854804522 /nfs/dbraw/zinc/80/45/22/854804522.db2.gz CVRFOGMTRORFED-UHFFFAOYSA-N 1 0 403.866 4.254 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000409867669 855695754 /nfs/dbraw/zinc/69/57/54/855695754.db2.gz BAXZKAKXBYWWKA-OAHLLOKOSA-N 1 0 401.463 4.070 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(Oc4cnccn4)CC3)o2)c(Cl)c1 ZINC000425978072 856027609 /nfs/dbraw/zinc/02/76/09/856027609.db2.gz NSGYVNMGYKCCLH-UHFFFAOYSA-N 1 0 414.849 4.342 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000426469557 856307155 /nfs/dbraw/zinc/30/71/55/856307155.db2.gz QNODECOMSVHPJC-GOSISDBHSA-N 1 0 422.529 4.494 20 5 HIBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000426800294 856485701 /nfs/dbraw/zinc/48/57/01/856485701.db2.gz NFKNPDPLCLIMQA-FQEVSTJZSA-N 1 0 423.513 4.122 20 5 HIBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000427598088 856883268 /nfs/dbraw/zinc/88/32/68/856883268.db2.gz AODWSBKFMYHGDP-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)C[C@H]2C1 ZINC000427796669 856959548 /nfs/dbraw/zinc/95/95/48/856959548.db2.gz KLDFRESWRATOCZ-GASCZTMLSA-N 1 0 417.918 4.033 20 5 HIBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437585369 862899486 /nfs/dbraw/zinc/89/94/86/862899486.db2.gz WBBDXNCMYXJOCE-MRXNPFEDSA-N 1 0 402.882 4.234 20 5 HIBDRO CCCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000437608181 862924449 /nfs/dbraw/zinc/92/44/49/862924449.db2.gz UEQISNLFEUJBFM-JKSUJKDBSA-N 1 0 422.526 4.119 20 5 HIBDRO Cc1c(NC(=O)CC[N@H+](CCc2ccccc2)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000429282873 857590288 /nfs/dbraw/zinc/59/02/88/857590288.db2.gz DLNFXBVPTLYGKA-UHFFFAOYSA-N 1 0 418.497 4.372 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000429435204 857666341 /nfs/dbraw/zinc/66/63/41/857666341.db2.gz SQXAKYPKIPSLNL-HUUCEWRRSA-N 1 0 407.308 4.168 20 5 HIBDRO Cc1noc(C[C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc2)n1 ZINC000429529449 857722173 /nfs/dbraw/zinc/72/21/73/857722173.db2.gz PLYLCAKLLOWBJD-IBGZPJMESA-N 1 0 419.441 4.057 20 5 HIBDRO 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 858296300 /nfs/dbraw/zinc/29/63/00/858296300.db2.gz GGEKLFBBSPZTOV-VVBPWWLESA-N 1 0 416.474 4.022 20 5 HIBDRO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430823560 858318061 /nfs/dbraw/zinc/31/80/61/858318061.db2.gz ODIMGCHELQXKAE-UWJYYQICSA-N 1 0 421.501 4.130 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437702389 863036067 /nfs/dbraw/zinc/03/60/67/863036067.db2.gz ZXPJGZOHCVKBFF-JOCHJYFZSA-N 1 0 408.502 4.106 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431716298 858758816 /nfs/dbraw/zinc/75/88/16/858758816.db2.gz ADADJHXVFWGZKE-UHFFFAOYSA-N 1 0 412.465 4.254 20 5 HIBDRO CC(C)(NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431871225 858849290 /nfs/dbraw/zinc/84/92/90/858849290.db2.gz PNZBTKFORFXHTF-QGZVFWFLSA-N 1 0 402.520 4.028 20 5 HIBDRO Cn1cc(C[NH+]2CCC(c3ncccc3Cl)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433036733 859493377 /nfs/dbraw/zinc/49/33/77/859493377.db2.gz YNLZNCNGLSCKEE-UHFFFAOYSA-N 1 0 411.893 4.423 20 5 HIBDRO CCOc1cc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000433047283 859498217 /nfs/dbraw/zinc/49/82/17/859498217.db2.gz WSEZDLDWOJKQDD-VQIMIIECSA-N 1 0 416.522 4.198 20 5 HIBDRO CC1(C)C[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433295527 859622196 /nfs/dbraw/zinc/62/21/96/859622196.db2.gz PQUBSXGVFZRDGG-MSOLQXFVSA-N 1 0 405.292 4.403 20 5 HIBDRO CCC(CC)(CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000433746437 859872152 /nfs/dbraw/zinc/87/21/52/859872152.db2.gz FTQPXSFGRCZPKG-OAHLLOKOSA-N 1 0 401.511 4.081 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000434159030 860154230 /nfs/dbraw/zinc/15/42/30/860154230.db2.gz WWOJCNOPZDEQIY-UHFFFAOYSA-N 1 0 415.515 4.068 20 5 HIBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000434336555 860297282 /nfs/dbraw/zinc/29/72/82/860297282.db2.gz ZKTXEGJYLHGKLV-FQEVSTJZSA-N 1 0 419.485 4.107 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434622290 860436176 /nfs/dbraw/zinc/43/61/76/860436176.db2.gz CLKKINWHPUVWJR-OAQYLSRUSA-N 1 0 403.454 4.400 20 5 HIBDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435054497 860617952 /nfs/dbraw/zinc/61/79/52/860617952.db2.gz CJJBSLKPBMCJRI-UHFFFAOYSA-N 1 0 409.421 4.330 20 5 HIBDRO Cc1c(NC(=O)N(CC[NH+](C)C)C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435326550 860737651 /nfs/dbraw/zinc/73/76/51/860737651.db2.gz DIIPCSTYYJLTTQ-UHFFFAOYSA-N 1 0 413.316 4.004 20 5 HIBDRO COc1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000467790169 881612154 /nfs/dbraw/zinc/61/21/54/881612154.db2.gz VAUIAARTPAJZOG-UHFFFAOYSA-N 1 0 417.481 4.226 20 5 HIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435836783 861098715 /nfs/dbraw/zinc/09/87/15/861098715.db2.gz RTZCBCCKPFXICB-DEOSSOPVSA-N 1 0 411.505 4.248 20 5 HIBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467807040 881630289 /nfs/dbraw/zinc/63/02/89/881630289.db2.gz LQUMCSPCKYKSLB-FZKQIMNGSA-N 1 0 415.877 4.253 20 5 HIBDRO Cc1nccn1CCCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000438479684 863896452 /nfs/dbraw/zinc/89/64/52/863896452.db2.gz BYDJDRPGDBATQS-UHFFFAOYSA-N 1 0 409.446 4.494 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1NC(=O)CC[NH+](C)C ZINC000438927740 864406539 /nfs/dbraw/zinc/40/65/39/864406539.db2.gz DMINUNFWUAUKLK-UHFFFAOYSA-N 1 0 412.490 4.169 20 5 HIBDRO Cc1c(CC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000439136635 864569336 /nfs/dbraw/zinc/56/93/36/864569336.db2.gz YEHYKNLDCIZMFH-UHFFFAOYSA-N 1 0 423.435 4.055 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000439169056 864598473 /nfs/dbraw/zinc/59/84/73/864598473.db2.gz MCSHDYJIQWIPRS-UGSOOPFHSA-N 1 0 407.923 4.431 20 5 HIBDRO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC000439782966 865105627 /nfs/dbraw/zinc/10/56/27/865105627.db2.gz OBCBJISJEZXYOM-XYWHTSSQSA-N 1 0 406.486 4.183 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000439898994 865210686 /nfs/dbraw/zinc/21/06/86/865210686.db2.gz JCGFEVGYQBDKGD-VQIMIIECSA-N 1 0 412.490 4.026 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000440925103 866022232 /nfs/dbraw/zinc/02/22/32/866022232.db2.gz KXPCHTBPXJWUHQ-CZUORRHYSA-N 1 0 415.877 4.396 20 5 HIBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000442635701 867578940 /nfs/dbraw/zinc/57/89/40/867578940.db2.gz QIVOGUFZGCFETG-FUHWJXTLSA-N 1 0 411.527 4.302 20 5 HIBDRO COc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073738 867811350 /nfs/dbraw/zinc/81/13/50/867811350.db2.gz WRPQCPSOYGPNCS-JXFKEZNVSA-N 1 0 400.475 4.182 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443890398 868428364 /nfs/dbraw/zinc/42/83/64/868428364.db2.gz AAJWQHPHLBKKPX-OAHLLOKOSA-N 1 0 421.419 4.350 20 5 HIBDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000443962949 868496248 /nfs/dbraw/zinc/49/62/48/868496248.db2.gz LUIVRXCLOABJOY-IBGZPJMESA-N 1 0 414.506 4.043 20 5 HIBDRO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1S(C)(=O)=O ZINC000444000756 868519905 /nfs/dbraw/zinc/51/99/05/868519905.db2.gz FQMSDHOKDJHPPU-UHFFFAOYSA-N 1 0 416.524 4.325 20 5 HIBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444015062 868538597 /nfs/dbraw/zinc/53/85/97/868538597.db2.gz ZTNYYEQCOKRUGR-UHFFFAOYSA-N 1 0 415.493 4.011 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444178421 868651911 /nfs/dbraw/zinc/65/19/11/868651911.db2.gz AHJRMRNDXSUVMT-NQIIRXRSSA-N 1 0 405.542 4.312 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@@H+]1Cc1ccccc1 ZINC000444222765 868674579 /nfs/dbraw/zinc/67/45/79/868674579.db2.gz GKTBDKFBHCWMPW-PXNSSMCTSA-N 1 0 411.505 4.074 20 5 HIBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444244993 868693921 /nfs/dbraw/zinc/69/39/21/868693921.db2.gz CDQYEXFUFPVNIX-INIZCTEOSA-N 1 0 409.505 4.061 20 5 HIBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444329386 868757495 /nfs/dbraw/zinc/75/74/95/868757495.db2.gz JZUDRNIZGNWSSZ-UHFFFAOYSA-N 1 0 405.542 4.456 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000444744266 868984140 /nfs/dbraw/zinc/98/41/40/868984140.db2.gz OSFFQPFWNOHHSG-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445177651 869262938 /nfs/dbraw/zinc/26/29/38/869262938.db2.gz CJHROKOATMZOOK-IBGZPJMESA-N 1 0 417.553 4.456 20 5 HIBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)CC1 ZINC000445196048 869269862 /nfs/dbraw/zinc/26/98/62/869269862.db2.gz WZIBKXNFGSOHIG-IBGZPJMESA-N 1 0 417.553 4.265 20 5 HIBDRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446837957 870756679 /nfs/dbraw/zinc/75/66/79/870756679.db2.gz CMZVEWQUPBVGOU-SNVBAGLBSA-N 1 0 407.243 4.094 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(Br)c4cccnc34)nc2c1 ZINC000446848088 870766984 /nfs/dbraw/zinc/76/69/84/870766984.db2.gz DYVREBQOHKAWNM-UHFFFAOYSA-N 1 0 412.247 4.072 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cc(Br)ccc2F)n1 ZINC000447531051 871394645 /nfs/dbraw/zinc/39/46/45/871394645.db2.gz OGWWCXVMOGXOAO-CVEARBPZSA-N 1 0 411.275 4.009 20 5 HIBDRO CCCCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447533839 871397312 /nfs/dbraw/zinc/39/73/12/871397312.db2.gz YVONTTPJVACTBW-MSOLQXFVSA-N 1 0 402.495 4.252 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccc(F)c(Br)c2)n1 ZINC000447533307 871398046 /nfs/dbraw/zinc/39/80/46/871398046.db2.gz XKXKYINOTSALQL-HZPDHXFCSA-N 1 0 411.275 4.009 20 5 HIBDRO CN1CCO[C@H]([C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000447585992 871492705 /nfs/dbraw/zinc/49/27/05/871492705.db2.gz MDYHRBWYVZQMFA-BHIFYINESA-N 1 0 415.921 4.287 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC([NH+]2CCCCC2)CC1 ZINC000447668925 871596809 /nfs/dbraw/zinc/59/68/09/871596809.db2.gz IBHMOXPLGJYMAX-UHFFFAOYSA-N 1 0 408.371 4.099 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447721798 871665817 /nfs/dbraw/zinc/66/58/17/871665817.db2.gz HDSJZMJYNPZXEF-ACJLOTCBSA-N 1 0 401.488 4.099 20 5 HIBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cccc21 ZINC000447722665 871665903 /nfs/dbraw/zinc/66/59/03/871665903.db2.gz KIWKUASGWGTGLP-CQSZACIVSA-N 1 0 409.364 4.251 20 5 HIBDRO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447886226 871800751 /nfs/dbraw/zinc/80/07/51/871800751.db2.gz OTIOKJLAYFPDIZ-AUSJPIAWSA-N 1 0 417.893 4.333 20 5 HIBDRO C[C@H](c1c(F)cccc1F)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460347785 872966347 /nfs/dbraw/zinc/96/63/47/872966347.db2.gz CKWWXWJODMVNNG-CYBMUJFWSA-N 1 0 401.417 4.023 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000468641642 882778386 /nfs/dbraw/zinc/77/83/86/882778386.db2.gz LVIAXJPHMGRQNW-XLTVWXTISA-N 1 0 423.513 4.037 20 5 HIBDRO 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 874275063 /nfs/dbraw/zinc/27/50/63/874275063.db2.gz VVJNZUQZGOKJKX-WSTZPKSXSA-N 1 0 416.566 4.024 20 5 HIBDRO Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C2)[nH+]1 ZINC000462492912 875603996 /nfs/dbraw/zinc/60/39/96/875603996.db2.gz WDEFJRIAGWGHKM-LJQANCHMSA-N 1 0 419.485 4.211 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462629796 875741402 /nfs/dbraw/zinc/74/14/02/875741402.db2.gz XLGXFRPYCAQNTA-STZQEDGTSA-N 1 0 409.530 4.333 20 5 HIBDRO Cc1cc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462693637 875784861 /nfs/dbraw/zinc/78/48/61/875784861.db2.gz XIOHXWVINHUVTB-MRXNPFEDSA-N 1 0 409.515 4.305 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000462778768 875834969 /nfs/dbraw/zinc/83/49/69/875834969.db2.gz RZDFZJFVCXZUQX-OAQYLSRUSA-N 1 0 409.530 4.287 20 5 HIBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885774 875913863 /nfs/dbraw/zinc/91/38/63/875913863.db2.gz UGCPYMKMWWTVBR-UTKZUKDTSA-N 1 0 423.542 4.339 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000462931629 875958952 /nfs/dbraw/zinc/95/89/52/875958952.db2.gz GZCJDGDTPDMSSA-FQEVSTJZSA-N 1 0 421.541 4.213 20 5 HIBDRO CCC[N@H+](C)C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000462941377 875963776 /nfs/dbraw/zinc/96/37/76/875963776.db2.gz AGGBDBQABWVVCT-CYBMUJFWSA-N 1 0 407.312 4.074 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000463060677 876089974 /nfs/dbraw/zinc/08/99/74/876089974.db2.gz AJONMGBFYASQER-AEFFLSMTSA-N 1 0 422.428 4.257 20 5 HIBDRO CC(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000463100195 876134570 /nfs/dbraw/zinc/13/45/70/876134570.db2.gz WSZKOXHYKNBTQA-KRWDZBQOSA-N 1 0 401.429 4.100 20 5 HIBDRO CC[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000463420580 876475756 /nfs/dbraw/zinc/47/57/56/876475756.db2.gz ABHIZTYDEPMPNQ-KRWDZBQOSA-N 1 0 421.419 4.180 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000463963271 877087518 /nfs/dbraw/zinc/08/75/18/877087518.db2.gz ICLWTVGSJIIVEV-UHFFFAOYSA-N 1 0 404.898 4.461 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732517 877968420 /nfs/dbraw/zinc/96/84/20/877968420.db2.gz HKSVKILURLTFTM-GOEBONIOSA-N 1 0 401.429 4.169 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000464775945 878019566 /nfs/dbraw/zinc/01/95/66/878019566.db2.gz MWENJINUCCEKIO-AUSIDOKSSA-N 1 0 424.545 4.247 20 5 HIBDRO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464777525 878021012 /nfs/dbraw/zinc/02/10/12/878021012.db2.gz QTFXMIRJBDXLDP-UHFFFAOYSA-N 1 0 411.502 4.024 20 5 HIBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000464780513 878024676 /nfs/dbraw/zinc/02/46/76/878024676.db2.gz QPLWTUBGQSCOSQ-QHCPKHFHSA-N 1 0 423.513 4.022 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000465183114 878572068 /nfs/dbraw/zinc/57/20/68/878572068.db2.gz HERRUPDSAJYHLY-OAHLLOKOSA-N 1 0 415.515 4.290 20 5 HIBDRO CSc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000465187110 878580315 /nfs/dbraw/zinc/58/03/15/878580315.db2.gz IHKSSLWLCAUJPP-HNNXBMFYSA-N 1 0 415.515 4.290 20 5 HIBDRO CO[C@H](C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(C)C ZINC000465406923 878841263 /nfs/dbraw/zinc/84/12/63/878841263.db2.gz OJJIORYHFIPJRN-RTBURBONSA-N 1 0 405.882 4.189 20 5 HIBDRO C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000465980426 879650784 /nfs/dbraw/zinc/65/07/84/879650784.db2.gz LGUBOVNEBBYVEY-FQEVSTJZSA-N 1 0 424.545 4.224 20 5 HIBDRO C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000465980427 879651088 /nfs/dbraw/zinc/65/10/88/879651088.db2.gz LGUBOVNEBBYVEY-HXUWFJFHSA-N 1 0 424.545 4.224 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000466479588 880261518 /nfs/dbraw/zinc/26/15/18/880261518.db2.gz YMPNSQIKTIOHOM-QFIPXVFZSA-N 1 0 411.502 4.332 20 5 HIBDRO C[NH+](C)CC1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 ZINC000466575332 880350917 /nfs/dbraw/zinc/35/09/17/880350917.db2.gz JDYZPEMPHKAQFF-UHFFFAOYSA-N 1 0 403.866 4.255 20 5 HIBDRO O=C(NCC[NH+]1CCCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466603918 880373364 /nfs/dbraw/zinc/37/33/64/880373364.db2.gz IAFPXFZDUNLNNL-UHFFFAOYSA-N 1 0 405.907 4.225 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370013 881142987 /nfs/dbraw/zinc/14/29/87/881142987.db2.gz NOPPZHPCECDJDQ-ZHRRBRCNSA-N 1 0 400.475 4.039 20 5 HIBDRO COc1cc(C[N@H+](C)CC[C@@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467383967 881164597 /nfs/dbraw/zinc/16/45/97/881164597.db2.gz VKJMFYSKJKBICP-FQEVSTJZSA-N 1 0 400.475 4.183 20 5 HIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cccc1[N+](=O)[O-] ZINC000469101056 883191334 /nfs/dbraw/zinc/19/13/34/883191334.db2.gz UEBNFZVUCLRIJF-KUHUBIRLSA-N 1 0 403.429 4.023 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000503607182 912706727 /nfs/dbraw/zinc/70/67/27/912706727.db2.gz HYYABJDLITZMLH-UHFFFAOYSA-N 1 0 410.499 4.186 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000469968051 884176759 /nfs/dbraw/zinc/17/67/59/884176759.db2.gz WJCZOHGSYBSQRH-CQSZACIVSA-N 1 0 405.882 4.496 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000469968050 884177606 /nfs/dbraw/zinc/17/76/06/884177606.db2.gz WJCZOHGSYBSQRH-AWEZNQCLSA-N 1 0 405.882 4.496 20 5 HIBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000470152714 884421432 /nfs/dbraw/zinc/42/14/32/884421432.db2.gz NYTDOAYLNQQNKV-QFIPXVFZSA-N 1 0 412.465 4.254 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000470163261 884437738 /nfs/dbraw/zinc/43/77/38/884437738.db2.gz KQDVOJPSYDJRFC-IBGZPJMESA-N 1 0 401.532 4.203 20 5 HIBDRO COc1cc2c(c(OC)c1OC)CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000470173817 884457007 /nfs/dbraw/zinc/45/70/07/884457007.db2.gz GBTGQJLULTYMDL-VBKFSLOCSA-N 1 0 412.486 4.125 20 5 HIBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000470238450 884567512 /nfs/dbraw/zinc/56/75/12/884567512.db2.gz VGFMIIKOLOZGHM-SFHVURJKSA-N 1 0 409.486 4.191 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000503898721 912856366 /nfs/dbraw/zinc/85/63/66/912856366.db2.gz BFARVSZYCFMTRW-JOCHJYFZSA-N 1 0 406.486 4.496 20 5 HIBDRO COc1cc(C[NH2+]CC[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000503935559 912871580 /nfs/dbraw/zinc/87/15/80/912871580.db2.gz GNPTUOMFDLDBRV-IBGZPJMESA-N 1 0 400.475 4.231 20 5 HIBDRO Cc1ccc([C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccn2)cc1 ZINC000471078111 885603562 /nfs/dbraw/zinc/60/35/62/885603562.db2.gz VMBJXNOYIZLBSN-HSZRJFAPSA-N 1 0 404.470 4.314 20 5 HIBDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC[N@@H+]2C2CC2)c1 ZINC000471926463 886718555 /nfs/dbraw/zinc/71/85/55/886718555.db2.gz DGWHQYHCXJZXHT-RTWAWAEBSA-N 1 0 410.474 4.011 20 5 HIBDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000471946976 886748466 /nfs/dbraw/zinc/74/84/66/886748466.db2.gz PUMYLOTZXURMAV-DOTOQJQBSA-N 1 0 408.380 4.181 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CO)CCCC3)o2)c(Br)c1 ZINC000472147888 886946742 /nfs/dbraw/zinc/94/67/42/886946742.db2.gz SGQPMNKXUBGFME-UHFFFAOYSA-N 1 0 409.280 4.260 20 5 HIBDRO Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000473423170 888143135 /nfs/dbraw/zinc/14/31/35/888143135.db2.gz WVIPGUIZLHUEOH-HSZRJFAPSA-N 1 0 408.502 4.423 20 5 HIBDRO Cc1c(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC000473438477 888158218 /nfs/dbraw/zinc/15/82/18/888158218.db2.gz OZCKLZHLEAEFJC-HSZRJFAPSA-N 1 0 408.502 4.423 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473437521 888158911 /nfs/dbraw/zinc/15/89/11/888158911.db2.gz YIEDVNFTERVQHA-HSZRJFAPSA-N 1 0 424.501 4.123 20 5 HIBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473509963 888238827 /nfs/dbraw/zinc/23/88/27/888238827.db2.gz SJAHQUPTDZNLIP-XMMPIXPASA-N 1 0 418.497 4.204 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)cc1[N+](=O)[O-] ZINC000474009610 888867556 /nfs/dbraw/zinc/86/75/56/888867556.db2.gz JBISZSOYPHUXOQ-HXUWFJFHSA-N 1 0 412.486 4.437 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000474356672 889235595 /nfs/dbraw/zinc/23/55/95/889235595.db2.gz SCVIWMQFUCBBQX-DEOSSOPVSA-N 1 0 420.465 4.334 20 5 HIBDRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000475198419 890067563 /nfs/dbraw/zinc/06/75/63/890067563.db2.gz XBZAOTMOLLTYFV-UHFFFAOYSA-N 1 0 402.417 4.199 20 5 HIBDRO C[C@]1(O)CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000475341168 890262227 /nfs/dbraw/zinc/26/22/27/890262227.db2.gz ADCRRIYKIZGIAZ-QHCPKHFHSA-N 1 0 406.486 4.184 20 5 HIBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cccc([N+](=O)[O-])c3OC)ccc21 ZINC000475447123 890363991 /nfs/dbraw/zinc/36/39/91/890363991.db2.gz GFOWMMXKHNRHDG-UHFFFAOYSA-N 1 0 410.474 4.152 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000475701429 890640358 /nfs/dbraw/zinc/64/03/58/890640358.db2.gz LSAPDXJRWDOJOU-NWDGAFQWSA-N 1 0 401.394 4.167 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1[N+](=O)[O-] ZINC000504893387 913622803 /nfs/dbraw/zinc/62/28/03/913622803.db2.gz FEKDKDFWMPHDGN-LLVKDONJSA-N 1 0 423.263 4.336 20 5 HIBDRO CCc1cc(N2CCC([NH2+][C@@H](CC)CSc3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC000504895587 913628319 /nfs/dbraw/zinc/62/83/19/913628319.db2.gz VCQMSKAALAZKDM-KRWDZBQOSA-N 1 0 415.563 4.077 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000504900461 913632546 /nfs/dbraw/zinc/63/25/46/913632546.db2.gz YHGMGUIBKRPEBF-GOSISDBHSA-N 1 0 419.522 4.231 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000504905447 913637924 /nfs/dbraw/zinc/63/79/24/913637924.db2.gz IQZPZCJCJNRCAU-INIZCTEOSA-N 1 0 420.469 4.492 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000504911072 913644786 /nfs/dbraw/zinc/64/47/86/913644786.db2.gz AEOSPFRXGUPSGQ-KRWDZBQOSA-N 1 0 411.502 4.257 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nnc2n1CCCCC2 ZINC000504912545 913647231 /nfs/dbraw/zinc/64/72/31/913647231.db2.gz XIWFEHRSMNTNCK-MRXNPFEDSA-N 1 0 403.552 4.006 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000504919983 913656543 /nfs/dbraw/zinc/65/65/43/913656543.db2.gz MFVRYGFZRLMZDJ-OALUTQOASA-N 1 0 413.543 4.419 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000504927982 913667617 /nfs/dbraw/zinc/66/76/17/913667617.db2.gz XJBIZFIBAITGEM-IBGZPJMESA-N 1 0 413.543 4.378 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccccc1Cl ZINC000504930166 913669461 /nfs/dbraw/zinc/66/94/61/913669461.db2.gz OAYCKKFLERBISU-AWEZNQCLSA-N 1 0 407.923 4.139 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000477923262 893009002 /nfs/dbraw/zinc/00/90/02/893009002.db2.gz OFUVAIVSMWLBMN-UZUQRXQVSA-N 1 0 412.436 4.403 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(NC[C@@]3([NH+](C)C)CCSC3)c([N+](=O)[O-])c2)cc1 ZINC000479454964 894775006 /nfs/dbraw/zinc/77/50/06/894775006.db2.gz PZSGXGVRZDILPD-NRFANRHFSA-N 1 0 414.531 4.005 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)c(F)c1 ZINC000479919973 895268021 /nfs/dbraw/zinc/26/80/21/895268021.db2.gz FOFAWYPYXCPLRK-UHFFFAOYSA-N 1 0 423.282 4.334 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCc4c(ncn4-c4ccccc4)C3)o2)c1 ZINC000481200615 896553070 /nfs/dbraw/zinc/55/30/70/896553070.db2.gz RZFHYMDKOXQHLM-UHFFFAOYSA-N 1 0 415.453 4.036 20 5 HIBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481861299 897229111 /nfs/dbraw/zinc/22/91/11/897229111.db2.gz DIRFDQRPHPKVCS-UTKZUKDTSA-N 1 0 413.905 4.375 20 5 HIBDRO CCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481874355 897247049 /nfs/dbraw/zinc/24/70/49/897247049.db2.gz LTBCTRLHGNNWAQ-SFTDATJTSA-N 1 0 423.513 4.120 20 5 HIBDRO O=C(Nc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)c1ccncc1 ZINC000482114274 897564614 /nfs/dbraw/zinc/56/46/14/897564614.db2.gz MVBSECRPWAUVKP-JOCHJYFZSA-N 1 0 416.481 4.353 20 5 HIBDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482250180 897731178 /nfs/dbraw/zinc/73/11/78/897731178.db2.gz XZDLVUQZQHEREF-QAPCUYQASA-N 1 0 401.532 4.369 20 5 HIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482250181 897731298 /nfs/dbraw/zinc/73/12/98/897731298.db2.gz XZDLVUQZQHEREF-YJBOKZPZSA-N 1 0 401.532 4.369 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000482735059 898336326 /nfs/dbraw/zinc/33/63/26/898336326.db2.gz PYPJRYKVWIWKSF-UHFFFAOYSA-N 1 0 422.529 4.344 20 5 HIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cn1 ZINC000482985330 898624690 /nfs/dbraw/zinc/62/46/90/898624690.db2.gz SAGOWPFWJZDWNS-LBPRGKRZSA-N 1 0 417.263 4.301 20 5 HIBDRO CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000483355926 898993285 /nfs/dbraw/zinc/99/32/85/898993285.db2.gz RUGJJUCIDAMUDW-UHFFFAOYSA-N 1 0 411.502 4.010 20 5 HIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000484506237 899997507 /nfs/dbraw/zinc/99/75/07/899997507.db2.gz WBIMCYKRONMLFS-UHFFFAOYSA-N 1 0 405.458 4.019 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000484867336 900256132 /nfs/dbraw/zinc/25/61/32/900256132.db2.gz RJISTMIBAUEDHH-JTQLQIEISA-N 1 0 417.771 4.436 20 5 HIBDRO CC(=O)c1ccc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000484958016 900321977 /nfs/dbraw/zinc/32/19/77/900321977.db2.gz AHGBGMCUQKGCOG-UHFFFAOYSA-N 1 0 411.502 4.281 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485102978 900410883 /nfs/dbraw/zinc/41/08/83/900410883.db2.gz QPZPPOMMVUUPCR-UHFFFAOYSA-N 1 0 419.428 4.112 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000485162879 900461786 /nfs/dbraw/zinc/46/17/86/900461786.db2.gz SGVIZEYNHIHGRK-PXNSSMCTSA-N 1 0 410.518 4.056 20 5 HIBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485420472 900718227 /nfs/dbraw/zinc/71/82/27/900718227.db2.gz XBTKVHWGUQZNAB-MBSDFSHPSA-N 1 0 421.476 4.320 20 5 HIBDRO CSc1cccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485500208 900789284 /nfs/dbraw/zinc/78/92/84/900789284.db2.gz XOJLLQYVCTVLNE-SJLPKXTDSA-N 1 0 413.543 4.347 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000485509407 900796318 /nfs/dbraw/zinc/79/63/18/900796318.db2.gz HCQYKMWBQVSVME-QGZVFWFLSA-N 1 0 410.518 4.398 20 5 HIBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000485826707 901073169 /nfs/dbraw/zinc/07/31/69/901073169.db2.gz YLFGIUVYLGRNFJ-LJQANCHMSA-N 1 0 423.847 4.022 20 5 HIBDRO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978123 901195370 /nfs/dbraw/zinc/19/53/70/901195370.db2.gz VOCDUOFXMULUFX-YVEFUNNKSA-N 1 0 407.392 4.296 20 5 HIBDRO CSc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000486406377 901567833 /nfs/dbraw/zinc/56/78/33/901567833.db2.gz KFMMMTBXTQXALR-FUHWJXTLSA-N 1 0 413.543 4.442 20 5 HIBDRO CC(C)[N@@H+]1CCc2nc(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)sc2C1 ZINC000487169135 902083946 /nfs/dbraw/zinc/08/39/46/902083946.db2.gz BPSGFSUNXLBSDN-UHFFFAOYSA-N 1 0 414.453 4.126 20 5 HIBDRO Cc1ccc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(=O)n1C ZINC000487185539 902091024 /nfs/dbraw/zinc/09/10/24/902091024.db2.gz JBUGXSISIWSABA-UHFFFAOYSA-N 1 0 413.861 4.337 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487847063 902405384 /nfs/dbraw/zinc/40/53/84/902405384.db2.gz ZLPORBVAYRGVEI-WAOWUJCRSA-N 1 0 410.518 4.174 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487935585 902465736 /nfs/dbraw/zinc/46/57/36/902465736.db2.gz NQJGMKFANJROFL-KSFYIVLOSA-N 1 0 418.453 4.238 20 5 HIBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@H]21 ZINC000488467208 902839906 /nfs/dbraw/zinc/83/99/06/902839906.db2.gz WWQUQOPGZOORRB-LAUBAEHRSA-N 1 0 411.527 4.302 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488498711 902856900 /nfs/dbraw/zinc/85/69/00/902856900.db2.gz MRVIBIAYNXYYGY-WWMYMODYSA-N 1 0 413.543 4.102 20 5 HIBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000489084475 903185357 /nfs/dbraw/zinc/18/53/57/903185357.db2.gz UESWUPNMWBUDKS-UZUQRXQVSA-N 1 0 408.502 4.334 20 5 HIBDRO COc1cc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)ccc1[N+](=O)[O-] ZINC000489136252 903224450 /nfs/dbraw/zinc/22/44/50/903224450.db2.gz IKPSJIKSDFWZKG-UHFFFAOYSA-N 1 0 412.465 4.208 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000489673755 903535914 /nfs/dbraw/zinc/53/59/14/903535914.db2.gz BIUILYQWLCTUPH-LJQANCHMSA-N 1 0 424.545 4.074 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489810175 903607263 /nfs/dbraw/zinc/60/72/63/903607263.db2.gz RXKNDAVLDRORGN-UHFFFAOYSA-N 1 0 408.502 4.065 20 5 HIBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000489833334 903618574 /nfs/dbraw/zinc/61/85/74/903618574.db2.gz BWVNCIZHLROZOX-IRXDYDNUSA-N 1 0 416.566 4.070 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000489886320 903653361 /nfs/dbraw/zinc/65/33/61/903653361.db2.gz LZPXVHQMKVEXJK-SFHVURJKSA-N 1 0 410.518 4.236 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)c2ccccc2)c1 ZINC000490179195 903812531 /nfs/dbraw/zinc/81/25/31/903812531.db2.gz WLSXESIIUSIGBT-DEOSSOPVSA-N 1 0 402.498 4.333 20 5 HIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000490355587 903949063 /nfs/dbraw/zinc/94/90/63/903949063.db2.gz QGUVHAWRFHSARU-UHFFFAOYSA-N 1 0 415.513 4.447 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000491026267 904376661 /nfs/dbraw/zinc/37/66/61/904376661.db2.gz GSINYWPERVFZLA-IBGZPJMESA-N 1 0 410.518 4.011 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000491025841 904376792 /nfs/dbraw/zinc/37/67/92/904376792.db2.gz DHVNAAKRKMOWDF-GOSISDBHSA-N 1 0 413.543 4.301 20 5 HIBDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000491150034 904458690 /nfs/dbraw/zinc/45/86/90/904458690.db2.gz UMNFXPJDZUXVBF-OAHLLOKOSA-N 1 0 422.428 4.245 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491425468 904592266 /nfs/dbraw/zinc/59/22/66/904592266.db2.gz ZQUFDFPUECMIOI-WZONZLPQSA-N 1 0 422.529 4.179 20 5 HIBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1N1CCOCC1 ZINC000506152393 914826215 /nfs/dbraw/zinc/82/62/15/914826215.db2.gz DVHGXGZQTUUBOR-UHFFFAOYSA-N 1 0 407.470 4.323 20 5 HIBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000491975578 904745765 /nfs/dbraw/zinc/74/57/65/904745765.db2.gz DNAGVNMFQPUYEO-UHFFFAOYSA-N 1 0 405.454 4.488 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000491983673 904752380 /nfs/dbraw/zinc/75/23/80/904752380.db2.gz VVWPNQLTIUCMSL-ZDUSSCGKSA-N 1 0 410.879 4.029 20 5 HIBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506233611 914856031 /nfs/dbraw/zinc/85/60/31/914856031.db2.gz HWWPVXDDGPLFDG-QGZVFWFLSA-N 1 0 403.866 4.093 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492960438 904967625 /nfs/dbraw/zinc/96/76/25/904967625.db2.gz MGMFJAGYKMHKMK-QUCCMNQESA-N 1 0 410.518 4.128 20 5 HIBDRO Cc1cc(N2CCC([NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC000493249405 905066834 /nfs/dbraw/zinc/06/68/34/905066834.db2.gz PVCMECKDAFBNRL-XMMPIXPASA-N 1 0 417.513 4.350 20 5 HIBDRO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512386362 921122932 /nfs/dbraw/zinc/12/29/32/921122932.db2.gz FOQBRKWCZDEBGU-WBVHZDCISA-N 1 0 400.548 4.461 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000494088120 905421346 /nfs/dbraw/zinc/42/13/46/905421346.db2.gz AVHSQRHLJLKCFN-KRWDZBQOSA-N 1 0 407.580 4.441 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2C1 ZINC000494461369 905744198 /nfs/dbraw/zinc/74/41/98/905744198.db2.gz PMIMMIXKIQLZDL-UHFFFAOYSA-N 1 0 405.458 4.004 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494479358 905761399 /nfs/dbraw/zinc/76/13/99/905761399.db2.gz VNNLTWVTZBFSBL-FXAWDEMLSA-N 1 0 421.856 4.144 20 5 HIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000494498459 905788800 /nfs/dbraw/zinc/78/88/00/905788800.db2.gz WDEQCJMMPGUVET-YWZLYKJASA-N 1 0 423.435 4.165 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494678737 905895427 /nfs/dbraw/zinc/89/54/27/905895427.db2.gz FVGIMNVIHLEUFI-MRXNPFEDSA-N 1 0 421.444 4.006 20 5 HIBDRO C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)nc2)C1 ZINC000494728050 905927896 /nfs/dbraw/zinc/92/78/96/905927896.db2.gz CJQFZZRZMPFYDU-ISKFKSNPSA-N 1 0 417.513 4.332 20 5 HIBDRO O=C1C[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000495045003 906200321 /nfs/dbraw/zinc/20/03/21/906200321.db2.gz GWTRIQSPVXJROZ-CPJSRVTESA-N 1 0 415.493 4.323 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1Cc1ccccc1 ZINC000512546414 921227762 /nfs/dbraw/zinc/22/77/62/921227762.db2.gz VDAOPYHQIXXLRN-SJLPKXTDSA-N 1 0 406.486 4.107 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000496739374 906748834 /nfs/dbraw/zinc/74/88/34/906748834.db2.gz QAVZKKWQUNSLQF-UHFFFAOYSA-N 1 0 419.522 4.474 20 5 HIBDRO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497569693 907055847 /nfs/dbraw/zinc/05/58/47/907055847.db2.gz QKIVCNZQAQMMKU-LJQANCHMSA-N 1 0 411.477 4.137 20 5 HIBDRO Cn1cc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512697707 921290933 /nfs/dbraw/zinc/29/09/33/921290933.db2.gz UPEPWYZIZHLGPL-JOCHJYFZSA-N 1 0 424.476 4.316 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2cccs2)CC1 ZINC000497781654 907274671 /nfs/dbraw/zinc/27/46/71/907274671.db2.gz ZLWJPMBQSWLTGM-LJQANCHMSA-N 1 0 424.526 4.408 20 5 HIBDRO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000497957463 907425959 /nfs/dbraw/zinc/42/59/59/907425959.db2.gz JKXGTPDVKXRPBO-YLJYHZDGSA-N 1 0 413.543 4.371 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1cccs1 ZINC000498151944 907677877 /nfs/dbraw/zinc/67/78/77/907677877.db2.gz GGAIFNTVBOMHBU-JLTOFOAXSA-N 1 0 410.499 4.017 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000498401758 907883494 /nfs/dbraw/zinc/88/34/94/907883494.db2.gz TWLWULDJSACHGT-HZPDHXFCSA-N 1 0 416.547 4.206 20 5 HIBDRO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498713421 908138932 /nfs/dbraw/zinc/13/89/32/908138932.db2.gz IPBWGCWCVATZQC-HKUYNNGSSA-N 1 0 410.518 4.040 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000498921498 908332680 /nfs/dbraw/zinc/33/26/80/908332680.db2.gz FASRGVVQUGURGB-UHFFFAOYSA-N 1 0 408.329 4.304 20 5 HIBDRO COc1cc(C[NH2+]CC2(C)CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000500243040 909730713 /nfs/dbraw/zinc/73/07/13/909730713.db2.gz SKKCDUSKSAOZMV-UHFFFAOYSA-N 1 0 400.475 4.089 20 5 HIBDRO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N[C@@H]1CCOc2ccccc21 ZINC000500533991 909911723 /nfs/dbraw/zinc/91/17/23/909911723.db2.gz NWFKIYNRKRPHSD-LJQANCHMSA-N 1 0 423.494 4.053 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)CC1 ZINC000502347670 911328362 /nfs/dbraw/zinc/32/83/62/911328362.db2.gz VZQSJSVWBHXTIH-UHFFFAOYSA-N 1 0 413.440 4.387 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@]3(Cc4ccc(Cl)cc4)CCOC3)co2)cc1 ZINC000502548140 911553570 /nfs/dbraw/zinc/55/35/70/911553570.db2.gz SXNFLVYFJDLZBS-OAQYLSRUSA-N 1 0 413.861 4.395 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000502789345 911810980 /nfs/dbraw/zinc/81/09/80/911810980.db2.gz OUQHGMDQZVVEEM-UHFFFAOYSA-N 1 0 402.539 4.172 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506472723 915071313 /nfs/dbraw/zinc/07/13/13/915071313.db2.gz GSEIMUXDKHILOF-KZNAEPCWSA-N 1 0 413.522 4.292 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000506815692 915574658 /nfs/dbraw/zinc/57/46/58/915574658.db2.gz RKYFIBXVXGMSBM-UHFFFAOYSA-N 1 0 421.501 4.012 20 5 HIBDRO CCOc1c(Br)cc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000507131168 915881932 /nfs/dbraw/zinc/88/19/32/915881932.db2.gz DKKFAAWUZSFNGV-UHFFFAOYSA-N 1 0 409.280 4.397 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000507146605 915889446 /nfs/dbraw/zinc/88/94/46/915889446.db2.gz WMHCTKAFTWCCGP-LJQANCHMSA-N 1 0 416.522 4.198 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCc1cccc2ccccc21 ZINC000507303611 916065927 /nfs/dbraw/zinc/06/59/27/916065927.db2.gz JPQRXVLTEDSAMV-UHFFFAOYSA-N 1 0 407.470 4.260 20 5 HIBDRO CCC[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000507608504 916363901 /nfs/dbraw/zinc/36/39/01/916363901.db2.gz WDIZMTXAXFHKJC-AZUAARDMSA-N 1 0 409.465 4.438 20 5 HIBDRO CCC[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000507608511 916364710 /nfs/dbraw/zinc/36/47/10/916364710.db2.gz WDIZMTXAXFHKJC-UYAOXDASSA-N 1 0 409.465 4.438 20 5 HIBDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000507915458 916795636 /nfs/dbraw/zinc/79/56/36/916795636.db2.gz VFXYRIJGPFLTQC-INIZCTEOSA-N 1 0 409.490 4.454 20 5 HIBDRO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCC2 ZINC000507927624 916803378 /nfs/dbraw/zinc/80/33/78/916803378.db2.gz LYQKBCHLRGVSTJ-LJQANCHMSA-N 1 0 412.515 4.333 20 5 HIBDRO COc1cc(C[NH2+][C@H]2COc3ccccc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507942919 916809962 /nfs/dbraw/zinc/80/99/62/916809962.db2.gz VOQNIURAZANDGX-HXUWFJFHSA-N 1 0 420.465 4.276 20 5 HIBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000508213981 917032313 /nfs/dbraw/zinc/03/23/13/917032313.db2.gz AHWULIYUEHQLGE-UHFFFAOYSA-N 1 0 415.484 4.154 20 5 HIBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1OC ZINC000508639161 917405390 /nfs/dbraw/zinc/40/53/90/917405390.db2.gz UYIFXIBZSZEAHV-UHFFFAOYSA-N 1 0 410.474 4.035 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000509265245 917954111 /nfs/dbraw/zinc/95/41/11/917954111.db2.gz UVGBMLFDLMINEJ-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509578647 918228521 /nfs/dbraw/zinc/22/85/21/918228521.db2.gz ITQLZQKMXOJDJU-UHFFFAOYSA-N 1 0 416.474 4.327 20 5 HIBDRO COc1cc(C[NH2+]CCN2CCC(C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509623549 918269108 /nfs/dbraw/zinc/26/91/08/918269108.db2.gz YANRBUDUYJTMSE-UHFFFAOYSA-N 1 0 413.518 4.004 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000509635666 918277337 /nfs/dbraw/zinc/27/73/37/918277337.db2.gz FTNCQIRLVXBLIW-UHFFFAOYSA-N 1 0 405.564 4.433 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000510547605 918992696 /nfs/dbraw/zinc/99/26/96/918992696.db2.gz PAGAKAXNBBHQAI-SCLBCKFNSA-N 1 0 420.307 4.087 20 5 HIBDRO C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000510987501 919541890 /nfs/dbraw/zinc/54/18/90/919541890.db2.gz RZPCAXSTUOTLHD-HNNXBMFYSA-N 1 0 420.498 4.192 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511223495 919830141 /nfs/dbraw/zinc/83/01/41/919830141.db2.gz PDICFLUAFOCJNX-NVXWUHKLSA-N 1 0 401.894 4.279 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000511276762 919873363 /nfs/dbraw/zinc/87/33/63/919873363.db2.gz JLBPLYPKHALTIV-FQEVSTJZSA-N 1 0 412.490 4.261 20 5 HIBDRO C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000511322234 919911931 /nfs/dbraw/zinc/91/19/31/919911931.db2.gz GNKZGQLETOGGMV-AWEZNQCLSA-N 1 0 415.877 4.421 20 5 HIBDRO O=C(C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000511559250 920200211 /nfs/dbraw/zinc/20/02/11/920200211.db2.gz YXMKROSPBUOSHT-GOSISDBHSA-N 1 0 409.364 4.173 20 5 HIBDRO CC(C)(CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000511711910 920376867 /nfs/dbraw/zinc/37/68/67/920376867.db2.gz GMVMMSIESPDFIB-UHFFFAOYSA-N 1 0 410.518 4.201 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)o2)c1 ZINC000511765088 920449133 /nfs/dbraw/zinc/44/91/33/920449133.db2.gz LXZCGXIRKLNRFL-FSSWDIPSSA-N 1 0 419.481 4.297 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000511830202 920533591 /nfs/dbraw/zinc/53/35/91/920533591.db2.gz OZXVGNQIZGDEAD-IRXDYDNUSA-N 1 0 407.392 4.138 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2cccs2)CC1 ZINC000512055878 920825574 /nfs/dbraw/zinc/82/55/74/920825574.db2.gz HIELXCZDIKAWOV-SFHVURJKSA-N 1 0 412.515 4.341 20 5 HIBDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000512293908 921048601 /nfs/dbraw/zinc/04/86/01/921048601.db2.gz NGQGBLQBUVERFU-UHFFFAOYSA-N 1 0 417.893 4.483 20 5 HIBDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000512359098 921101815 /nfs/dbraw/zinc/10/18/15/921101815.db2.gz ATLRFRRPBYNMRB-UHFFFAOYSA-N 1 0 415.559 4.351 20 5 HIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513652560 921974706 /nfs/dbraw/zinc/97/47/06/921974706.db2.gz MWIRTIQPRKDRMI-UHFFFAOYSA-N 1 0 405.401 4.434 20 5 HIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000513729906 922049465 /nfs/dbraw/zinc/04/94/65/922049465.db2.gz SPKJXUIDLRNTOY-YHJVDBJQSA-N 1 0 419.428 4.098 20 5 HIBDRO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000513761758 922079841 /nfs/dbraw/zinc/07/98/41/922079841.db2.gz OGEAKFJZXJDSOC-UHFFFAOYSA-N 1 0 409.442 4.151 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000513787051 922112255 /nfs/dbraw/zinc/11/22/55/922112255.db2.gz SGGGIJNUYNBSGI-HNAYVOBHSA-N 1 0 422.934 4.023 20 5 HIBDRO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513787247 922112909 /nfs/dbraw/zinc/11/29/09/922112909.db2.gz VVEGQMGOSOEXFS-SIKLNZKXSA-N 1 0 407.514 4.200 20 5 HIBDRO O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000513787354 922114355 /nfs/dbraw/zinc/11/43/55/922114355.db2.gz XNOFHSMKKYMFRL-JTHBVZDNSA-N 1 0 417.509 4.306 20 5 HIBDRO O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000513816878 922139821 /nfs/dbraw/zinc/13/98/21/922139821.db2.gz WDJDAVFGEGTQJI-UHFFFAOYSA-N 1 0 417.556 4.016 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000513823589 922147792 /nfs/dbraw/zinc/14/77/92/922147792.db2.gz XCQMXOKMKDDOTE-GHTZIAJQSA-N 1 0 411.502 4.049 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000513824641 922149615 /nfs/dbraw/zinc/14/96/15/922149615.db2.gz OCHYAULQHOTNSV-ROPHOZQPSA-N 1 0 404.457 4.133 20 5 HIBDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1 ZINC000514763670 922791755 /nfs/dbraw/zinc/79/17/55/922791755.db2.gz NUFKZGWTQYWWGC-QGZVFWFLSA-N 1 0 408.458 4.108 20 5 HIBDRO O=C(c1cc(NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000515607521 923211644 /nfs/dbraw/zinc/21/16/44/923211644.db2.gz WPBCGZLXGGQRNL-UHFFFAOYSA-N 1 0 422.529 4.429 20 5 HIBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000516840644 923915665 /nfs/dbraw/zinc/91/56/65/923915665.db2.gz KEWBSDDSEAHKSQ-UHFFFAOYSA-N 1 0 418.925 4.320 20 5 HIBDRO CSc1ccc([C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[NH+](C)C)cc1 ZINC000517547344 924258267 /nfs/dbraw/zinc/25/82/67/924258267.db2.gz WKCLEWKWVCNCLK-GOSISDBHSA-N 1 0 401.532 4.275 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H](O)C2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517551847 924261668 /nfs/dbraw/zinc/26/16/68/924261668.db2.gz SQLVRRFJUDWJKL-OAQYLSRUSA-N 1 0 414.502 4.213 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000517683443 926787763 /nfs/dbraw/zinc/78/77/63/926787763.db2.gz ITOKENVHCQUAOV-UHFFFAOYSA-N 1 0 424.526 4.489 20 5 HIBDRO CC1CCN(c2ccc(C(=O)NCCCC[NH+]3CCC(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000517883638 926874168 /nfs/dbraw/zinc/87/41/68/926874168.db2.gz OYTIQMZXPPVGSE-UHFFFAOYSA-N 1 0 416.566 4.073 20 5 HIBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N2CCOCC2)cc1 ZINC000518262786 927121165 /nfs/dbraw/zinc/12/11/65/927121165.db2.gz DLNCTRROHGKONV-QHCPKHFHSA-N 1 0 421.497 4.326 20 5 HIBDRO Cc1c(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000518322712 927186402 /nfs/dbraw/zinc/18/64/02/927186402.db2.gz ZGQUYYZHQXORMQ-UHFFFAOYSA-N 1 0 409.530 4.368 20 5 HIBDRO Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000518587881 927366568 /nfs/dbraw/zinc/36/65/68/927366568.db2.gz IWCNHZROCZTXFU-UHFFFAOYSA-N 1 0 401.894 4.199 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCCn3cnc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000518769667 927484983 /nfs/dbraw/zinc/48/49/83/927484983.db2.gz OHHRURFGHKQLCI-UHFFFAOYSA-N 1 0 406.442 4.393 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCC(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1 ZINC000518778142 927488213 /nfs/dbraw/zinc/48/82/13/927488213.db2.gz AESQQMCUXXGEDH-UHFFFAOYSA-N 1 0 401.532 4.449 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000518864873 927570003 /nfs/dbraw/zinc/57/00/03/927570003.db2.gz BOSUKONUHNXCJD-VAMGGRTRSA-N 1 0 417.553 4.019 20 5 HIBDRO CSc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000518895853 927605971 /nfs/dbraw/zinc/60/59/71/927605971.db2.gz MSILNLZUOLCUIM-YQQQUEKLSA-N 1 0 411.527 4.242 20 5 HIBDRO C[NH+](C)CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1F ZINC000519033637 927711795 /nfs/dbraw/zinc/71/17/95/927711795.db2.gz WMKGKFCBLUYJHZ-UHFFFAOYSA-N 1 0 414.506 4.421 20 5 HIBDRO CCN1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000519753834 928066144 /nfs/dbraw/zinc/06/61/44/928066144.db2.gz JLHSEEJOVPROIX-BBRMVZONSA-N 1 0 423.420 4.264 20 5 HIBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000519902376 928136718 /nfs/dbraw/zinc/13/67/18/928136718.db2.gz WFEITNHIPXFQFY-SFHVURJKSA-N 1 0 416.566 4.025 20 5 HIBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000520104990 928313288 /nfs/dbraw/zinc/31/32/88/928313288.db2.gz BNDSFEYKNCNEMM-UHFFFAOYSA-N 1 0 419.453 4.292 20 5 HIBDRO C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000520217645 928396041 /nfs/dbraw/zinc/39/60/41/928396041.db2.gz CCLMEFZLNNJZOJ-HTAPYJJXSA-N 1 0 406.486 4.495 20 5 HIBDRO CC(C)CC[N@@H+]1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000520225329 928400380 /nfs/dbraw/zinc/40/03/80/928400380.db2.gz CRWWVZOJTPLTOV-JOCHJYFZSA-N 1 0 408.502 4.174 20 5 HIBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000520312740 928474039 /nfs/dbraw/zinc/47/40/39/928474039.db2.gz PLZHIIRUVVEAMQ-OAHLLOKOSA-N 1 0 420.560 4.115 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C1CC1 ZINC000520372686 928528323 /nfs/dbraw/zinc/52/83/23/928528323.db2.gz DZCYPPWMPFRCOT-SFHVURJKSA-N 1 0 419.934 4.469 20 5 HIBDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000520388084 928539336 /nfs/dbraw/zinc/53/93/36/928539336.db2.gz ARKCYQYRMKDNBW-CHWSQXEVSA-N 1 0 421.881 4.252 20 5 HIBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000520390176 928543139 /nfs/dbraw/zinc/54/31/39/928543139.db2.gz NJLCJLOKYPUNHF-UHFFFAOYSA-N 1 0 419.437 4.021 20 5 HIBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 ZINC000520832075 928836817 /nfs/dbraw/zinc/83/68/17/928836817.db2.gz AXBSDWUDDQYRDW-UHFFFAOYSA-N 1 0 419.485 4.265 20 5 HIBDRO COc1ccc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000521819363 929475853 /nfs/dbraw/zinc/47/58/53/929475853.db2.gz AWCAXZHMPHADCF-GOSISDBHSA-N 1 0 407.873 4.323 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000524705276 929805648 /nfs/dbraw/zinc/80/56/48/929805648.db2.gz RMJPIHFUCGWXKG-SFHVURJKSA-N 1 0 424.545 4.057 20 5 HIBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])C[C@H]1C ZINC000525358288 930194530 /nfs/dbraw/zinc/19/45/30/930194530.db2.gz JRNFIYQYSZMYFQ-YLJYHZDGSA-N 1 0 410.518 4.465 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1SC ZINC000530590650 930761177 /nfs/dbraw/zinc/76/11/77/930761177.db2.gz ODDMOKVKZLPANN-MRXNPFEDSA-N 1 0 423.922 4.011 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000530966079 930870155 /nfs/dbraw/zinc/87/01/55/930870155.db2.gz FWIFWWPJEVFAPG-KGLIPLIRSA-N 1 0 407.873 4.393 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] ZINC000530966387 930870910 /nfs/dbraw/zinc/87/09/10/930870910.db2.gz GVLPQFXKNJQXIO-QWHCGFSZSA-N 1 0 406.280 4.344 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000530972882 930872627 /nfs/dbraw/zinc/87/26/27/930872627.db2.gz CAQGDQGESSDSEA-XUOCYBMCSA-N 1 0 403.866 4.118 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000530972881 930872738 /nfs/dbraw/zinc/87/27/38/930872738.db2.gz CAQGDQGESSDSEA-SNCMPBNLSA-N 1 0 403.866 4.118 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 ZINC000531110211 930923885 /nfs/dbraw/zinc/92/38/85/930923885.db2.gz VHOHHWJYZSTGSU-UHFFFAOYSA-N 1 0 407.455 4.497 20 5 HIBDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204526 930964239 /nfs/dbraw/zinc/96/42/39/930964239.db2.gz GYZZZCDUNCYIJT-KBPBESRZSA-N 1 0 419.503 4.128 20 5 HIBDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204496 930965103 /nfs/dbraw/zinc/96/51/03/930965103.db2.gz GEXADSDINOFHIU-WBVHZDCISA-N 1 0 421.501 4.384 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000531443253 931058237 /nfs/dbraw/zinc/05/82/37/931058237.db2.gz DCKIZDWUKRXIQE-CHWSQXEVSA-N 1 0 406.280 4.344 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531696748 931160134 /nfs/dbraw/zinc/16/01/34/931160134.db2.gz CLWVPCDSGLRTJB-IBGZPJMESA-N 1 0 408.458 4.073 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531703997 931165867 /nfs/dbraw/zinc/16/58/67/931165867.db2.gz OWZYLPJEGSWVMA-SJORKVTESA-N 1 0 400.498 4.288 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000531864356 931226746 /nfs/dbraw/zinc/22/67/46/931226746.db2.gz YQLSLDKBLZPMOB-UHFFFAOYSA-N 1 0 409.417 4.285 20 5 HIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000532067790 931301621 /nfs/dbraw/zinc/30/16/21/931301621.db2.gz ATMLCDMVZBBPNW-ZDUSSCGKSA-N 1 0 400.788 4.031 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000532210161 931353092 /nfs/dbraw/zinc/35/30/92/931353092.db2.gz RISSVMAUHKESDM-UWJYYQICSA-N 1 0 411.502 4.398 20 5 HIBDRO C[NH+](C)CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)C(c1ccccc1)c1ccccc1 ZINC000532392634 931420549 /nfs/dbraw/zinc/42/05/49/931420549.db2.gz ROZLORMGRGPCDA-UHFFFAOYSA-N 1 0 418.497 4.173 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000532472044 931451198 /nfs/dbraw/zinc/45/11/98/931451198.db2.gz DMHRKIHRMIENNS-QGZVFWFLSA-N 1 0 411.502 4.257 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000532488611 931458293 /nfs/dbraw/zinc/45/82/93/931458293.db2.gz NROVJYCZPIZWMX-AWEZNQCLSA-N 1 0 420.307 4.136 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000532718690 931606894 /nfs/dbraw/zinc/60/68/94/931606894.db2.gz YYOBQIMXHMWWCF-NRFANRHFSA-N 1 0 421.501 4.346 20 5 HIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(OC)c(OC)c1 ZINC000532739369 931618535 /nfs/dbraw/zinc/61/85/35/931618535.db2.gz KJHRUFAAIKOYJX-UHFFFAOYSA-N 1 0 411.458 4.332 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(Oc4ccc(F)cc4)CC3)o2)c1 ZINC000532978113 931723925 /nfs/dbraw/zinc/72/39/25/931723925.db2.gz KKGHSZLADVUVTO-UHFFFAOYSA-N 1 0 411.433 4.475 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000533012934 931736551 /nfs/dbraw/zinc/73/65/51/931736551.db2.gz LBLFEOJUWRNYJL-HNNXBMFYSA-N 1 0 410.499 4.413 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000533407922 931860300 /nfs/dbraw/zinc/86/03/00/931860300.db2.gz JYPOEBZFNXFALD-DLBZAZTESA-N 1 0 422.957 4.163 20 5 HIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000533407925 931860341 /nfs/dbraw/zinc/86/03/41/931860341.db2.gz JYPOEBZFNXFALD-IAGOWNOFSA-N 1 0 422.957 4.163 20 5 HIBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000533438368 931869214 /nfs/dbraw/zinc/86/92/14/931869214.db2.gz DXRRXAJLZPUDBZ-BTYIYWSLSA-N 1 0 411.433 4.393 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(C(C)=O)c4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000533803545 932038621 /nfs/dbraw/zinc/03/86/21/932038621.db2.gz JTLHVMISMNYHLP-HXUWFJFHSA-N 1 0 421.453 4.451 20 5 HIBDRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000533892478 932084945 /nfs/dbraw/zinc/08/49/45/932084945.db2.gz SYHMLQOCVMOOHF-UHFFFAOYSA-N 1 0 405.454 4.188 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534228266 932347672 /nfs/dbraw/zinc/34/76/72/932347672.db2.gz HMHKBGXPMWOZGO-IFXJQAMLSA-N 1 0 405.857 4.119 20 5 HIBDRO C[C@](O)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(F)(F)F ZINC000534818823 932790652 /nfs/dbraw/zinc/79/06/52/932790652.db2.gz ZOBXXAIQIUDNHW-AWEZNQCLSA-N 1 0 423.185 4.020 20 5 HIBDRO Cc1ccc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1[N+](=O)[O-] ZINC000534966058 932864890 /nfs/dbraw/zinc/86/48/90/932864890.db2.gz AHXGSNNIWHVSGS-UHFFFAOYSA-N 1 0 408.502 4.423 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2)C1 ZINC000534982006 932874502 /nfs/dbraw/zinc/87/45/02/932874502.db2.gz UFWNBOPJTYLSOE-HNNXBMFYSA-N 1 0 408.458 4.049 20 5 HIBDRO COc1cc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535052450 932892671 /nfs/dbraw/zinc/89/26/71/932892671.db2.gz ZOJJBNQKICZSOO-HOTGVXAUSA-N 1 0 400.475 4.228 20 5 HIBDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000535080334 932898772 /nfs/dbraw/zinc/89/87/72/932898772.db2.gz TYOGVVYXFZNUHF-OAQYLSRUSA-N 1 0 406.486 4.211 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(CCO)CC2)cc1 ZINC000535781919 933385152 /nfs/dbraw/zinc/38/51/52/933385152.db2.gz GIBANJZKTCLVIH-UHFFFAOYSA-N 1 0 406.486 4.042 20 5 HIBDRO COc1ccc(OC2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000535785262 933386290 /nfs/dbraw/zinc/38/62/90/933386290.db2.gz XKLFFELPMJKOLI-UHFFFAOYSA-N 1 0 422.485 4.047 20 5 HIBDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000537323683 933716673 /nfs/dbraw/zinc/71/66/73/933716673.db2.gz LHABWKOOTVYQMD-XMSQKQJNSA-N 1 0 419.529 4.138 20 5 HIBDRO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618781 938335673 /nfs/dbraw/zinc/33/56/73/938335673.db2.gz KQIDHCUAWDDSHS-UWJYYQICSA-N 1 0 413.518 4.097 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537646614 938345372 /nfs/dbraw/zinc/34/53/72/938345372.db2.gz DUULYDHBJRWCDM-ZGRWHYIRSA-N 1 0 413.440 4.121 20 5 HIBDRO Cn1cc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537660884 938348924 /nfs/dbraw/zinc/34/89/24/938348924.db2.gz KECRRIZBLXUYRZ-SFHVURJKSA-N 1 0 412.877 4.302 20 5 HIBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000537734281 938365749 /nfs/dbraw/zinc/36/57/49/938365749.db2.gz GKENITHGKBVLGI-QGZVFWFLSA-N 1 0 410.518 4.287 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000537968522 938439506 /nfs/dbraw/zinc/43/95/06/938439506.db2.gz KKTGJFJONJJJCE-KGLIPLIRSA-N 1 0 411.487 4.181 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538124211 938510931 /nfs/dbraw/zinc/51/09/31/938510931.db2.gz CVSZXLLXPJFNTN-ICSRJNTNSA-N 1 0 400.475 4.087 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000538126659 938512652 /nfs/dbraw/zinc/51/26/52/938512652.db2.gz OKVBIFNWGSSMJC-QGZVFWFLSA-N 1 0 420.469 4.167 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCC(C)C ZINC000538168201 938533739 /nfs/dbraw/zinc/53/37/39/938533739.db2.gz UPKDMQZHCUTSEU-MRXNPFEDSA-N 1 0 415.490 4.236 20 5 HIBDRO CCSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000538203004 938552081 /nfs/dbraw/zinc/55/20/81/938552081.db2.gz AVDXGVJSKJWEID-AWEZNQCLSA-N 1 0 403.504 4.395 20 5 HIBDRO CC([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)(c1ccccc1)c1ccccc1 ZINC000538206211 938554584 /nfs/dbraw/zinc/55/45/84/938554584.db2.gz GAZRNGHXQWNSFV-UHFFFAOYSA-N 1 0 401.466 4.037 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000538232486 938566937 /nfs/dbraw/zinc/56/69/37/938566937.db2.gz BWYKOIMZJSSQRD-MRXNPFEDSA-N 1 0 420.469 4.345 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000538233622 938567846 /nfs/dbraw/zinc/56/78/46/938567846.db2.gz XKXXGUJOUVHZJX-OPAMFIHVSA-N 1 0 402.454 4.113 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] ZINC000538278299 938582072 /nfs/dbraw/zinc/58/20/72/938582072.db2.gz RNNRGFRSPIAVFY-CYBMUJFWSA-N 1 0 414.462 4.455 20 5 HIBDRO COc1cc(C[NH2+]CCOc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC ZINC000538370431 938605758 /nfs/dbraw/zinc/60/57/58/938605758.db2.gz QUKZPBTWMZPEAZ-UHFFFAOYSA-N 1 0 401.246 4.087 20 5 HIBDRO C[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCc2ccccc21 ZINC000538707722 938687411 /nfs/dbraw/zinc/68/74/11/938687411.db2.gz YQSGRLNPXRJGHY-LJQANCHMSA-N 1 0 418.291 4.137 20 5 HIBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000538718495 938689458 /nfs/dbraw/zinc/68/94/58/938689458.db2.gz WQESYYJQIIAFHM-PMACEKPBSA-N 1 0 402.516 4.075 20 5 HIBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000538718497 938689711 /nfs/dbraw/zinc/68/97/11/938689711.db2.gz WQESYYJQIIAFHM-VQTJNVASSA-N 1 0 402.516 4.075 20 5 HIBDRO CCOc1cc(C[N@@H+]2C[C@H](C)CC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538726991 938693338 /nfs/dbraw/zinc/69/33/38/938693338.db2.gz MOMKESITRSQAMC-MRXNPFEDSA-N 1 0 416.522 4.198 20 5 HIBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000538728298 938693736 /nfs/dbraw/zinc/69/37/36/938693736.db2.gz KTKOGNVYVWFKIL-STQMWFEESA-N 1 0 409.280 4.353 20 5 HIBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)C2 ZINC000538738168 938697461 /nfs/dbraw/zinc/69/74/61/938697461.db2.gz DAHZXONZYSYHRJ-OAQYLSRUSA-N 1 0 415.877 4.143 20 5 HIBDRO CC(C)(O)C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000538737268 938697853 /nfs/dbraw/zinc/69/78/53/938697853.db2.gz SJFWUDDELAZJRV-UHFFFAOYSA-N 1 0 418.465 4.278 20 5 HIBDRO CN(c1ccccc1)c1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000538795317 938713958 /nfs/dbraw/zinc/71/39/58/938713958.db2.gz URNXSCTZHBXUEA-KIFXHHALSA-N 1 0 424.545 4.046 20 5 HIBDRO CC[N@H+](CCC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1)CC(C)C ZINC000539106418 938803949 /nfs/dbraw/zinc/80/39/49/938803949.db2.gz XDPXDLLQDWDCDN-UHFFFAOYSA-N 1 0 416.566 4.071 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1)CC(C)C ZINC000539135696 938809136 /nfs/dbraw/zinc/80/91/36/938809136.db2.gz NLYFRKMBZQIYQW-UHFFFAOYSA-N 1 0 400.523 4.296 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539277927 938832067 /nfs/dbraw/zinc/83/20/67/938832067.db2.gz XAMMZMSATURFJZ-LRDDRELGSA-N 1 0 419.865 4.087 20 5 HIBDRO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000539277623 938832173 /nfs/dbraw/zinc/83/21/73/938832173.db2.gz RQHBGVAPLJPUAE-JTSKRJEESA-N 1 0 411.502 4.398 20 5 HIBDRO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000539282109 938833094 /nfs/dbraw/zinc/83/30/94/938833094.db2.gz VVMRGERTKKJPFT-IFXJQAMLSA-N 1 0 413.499 4.117 20 5 HIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000539297877 938836158 /nfs/dbraw/zinc/83/61/58/938836158.db2.gz UEPZTVZWINVCRT-IFXJQAMLSA-N 1 0 408.401 4.072 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000539317158 938840083 /nfs/dbraw/zinc/84/00/83/938840083.db2.gz PTKANDAQJZOGDO-HXUWFJFHSA-N 1 0 405.454 4.252 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000539339301 938844952 /nfs/dbraw/zinc/84/49/52/938844952.db2.gz QYEYZQXODUSRKF-HZPDHXFCSA-N 1 0 420.469 4.343 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000539339302 938845009 /nfs/dbraw/zinc/84/50/09/938845009.db2.gz QYEYZQXODUSRKF-JKSUJKDBSA-N 1 0 420.469 4.343 20 5 HIBDRO CCCO[C@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000539832559 938951425 /nfs/dbraw/zinc/95/14/25/938951425.db2.gz ULQPNDGTEQDXTI-HNNXBMFYSA-N 1 0 420.428 4.326 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000539901922 938973813 /nfs/dbraw/zinc/97/38/13/938973813.db2.gz VZCNHNXJYHNYJK-OAHLLOKOSA-N 1 0 417.893 4.293 20 5 HIBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000539951799 938980865 /nfs/dbraw/zinc/98/08/65/938980865.db2.gz ZYIXLERPTZJAAG-UHFFFAOYSA-N 1 0 417.897 4.414 20 5 HIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000539977565 939028519 /nfs/dbraw/zinc/02/85/19/939028519.db2.gz JFPAKINWJPPMAG-QZTJIDSGSA-N 1 0 406.486 4.352 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540066500 939056634 /nfs/dbraw/zinc/05/66/34/939056634.db2.gz JZJDQWRQEYALKX-DENIHFKCSA-N 1 0 414.502 4.476 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000540430560 939245982 /nfs/dbraw/zinc/24/59/82/939245982.db2.gz RFOCJKZMUGTJHX-OAQYLSRUSA-N 1 0 401.438 4.202 20 5 HIBDRO C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(-c2ccncc2)cc1 ZINC000540436416 939248912 /nfs/dbraw/zinc/24/89/12/939248912.db2.gz VJEATUGYODJBCS-INIZCTEOSA-N 1 0 418.453 4.306 20 5 HIBDRO CN(C(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000540446060 939252826 /nfs/dbraw/zinc/25/28/26/939252826.db2.gz LKLYACHKMNRSFJ-QFIPXVFZSA-N 1 0 407.445 4.270 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000540476790 939267992 /nfs/dbraw/zinc/26/79/92/939267992.db2.gz RPCPBBAKSSVQSZ-GJZGRUSLSA-N 1 0 412.515 4.211 20 5 HIBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000540734765 939353348 /nfs/dbraw/zinc/35/33/48/939353348.db2.gz UUNWEFFJLDQTLN-GOSISDBHSA-N 1 0 421.419 4.203 20 5 HIBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540961965 939421437 /nfs/dbraw/zinc/42/14/37/939421437.db2.gz LVNSLRTXDRDOIP-OLZOCXBDSA-N 1 0 409.280 4.210 20 5 HIBDRO COc1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000541551195 939552870 /nfs/dbraw/zinc/55/28/70/939552870.db2.gz FKGJMWZKTANUAY-ROUUACIJSA-N 1 0 414.502 4.477 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000541555012 939554622 /nfs/dbraw/zinc/55/46/22/939554622.db2.gz GRZQXUYPJHDRFZ-CYBMUJFWSA-N 1 0 402.800 4.208 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541598667 939563468 /nfs/dbraw/zinc/56/34/68/939563468.db2.gz ZOVUQTBOFGPYCB-OAHLLOKOSA-N 1 0 407.511 4.270 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[N@@H+]1C1CC1 ZINC000541724942 939614736 /nfs/dbraw/zinc/61/47/36/939614736.db2.gz NPPQTVGDOMZHTI-GOEBONIOSA-N 1 0 403.548 4.232 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[N@@H+]1C1CC1 ZINC000541724944 939614788 /nfs/dbraw/zinc/61/47/88/939614788.db2.gz NPPQTVGDOMZHTI-ZBFHGGJFSA-N 1 0 403.548 4.232 20 5 HIBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541785251 939629629 /nfs/dbraw/zinc/62/96/29/939629629.db2.gz JXHCQJWTRUUAFR-XIKOKIGWSA-N 1 0 424.835 4.341 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000541985783 939670238 /nfs/dbraw/zinc/67/02/38/939670238.db2.gz NLGPISMRVYTUNZ-YQVWRLOYSA-N 1 0 407.555 4.333 20 5 HIBDRO COc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542031628 939693522 /nfs/dbraw/zinc/69/35/22/939693522.db2.gz FHFYQBSKEBIKAE-UYAOXDASSA-N 1 0 424.501 4.122 20 5 HIBDRO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000542035501 939694447 /nfs/dbraw/zinc/69/44/47/939694447.db2.gz FUQOGVRBXDVKJV-VQIMIIECSA-N 1 0 412.490 4.293 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000542093609 939709294 /nfs/dbraw/zinc/70/92/94/939709294.db2.gz NNSSWLJNLNPNEI-UHFFFAOYSA-N 1 0 423.579 4.300 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000542253192 939773647 /nfs/dbraw/zinc/77/36/47/939773647.db2.gz IPQBELGUNNGYPD-WIYYLYMNSA-N 1 0 410.445 4.047 20 5 HIBDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542314954 939797403 /nfs/dbraw/zinc/79/74/03/939797403.db2.gz ZJJTUKMWRAXYLG-DHIUTWEWSA-N 1 0 412.486 4.230 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N(C)[C@@H](C)C3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000542506001 939834310 /nfs/dbraw/zinc/83/43/10/939834310.db2.gz FYSNFRNNCCDVHA-KRWDZBQOSA-N 1 0 410.518 4.322 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000542763191 939859559 /nfs/dbraw/zinc/85/95/59/939859559.db2.gz PNISMEDZAXFYGQ-UHFFFAOYSA-N 1 0 420.872 4.421 20 5 HIBDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000543428614 940061344 /nfs/dbraw/zinc/06/13/44/940061344.db2.gz ZHQPPGCNCFWHPO-OAHLLOKOSA-N 1 0 400.479 4.328 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543469434 940074338 /nfs/dbraw/zinc/07/43/38/940074338.db2.gz ZDOZJSSBKRPKFE-OAHLLOKOSA-N 1 0 417.506 4.333 20 5 HIBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000543487616 940080596 /nfs/dbraw/zinc/08/05/96/940080596.db2.gz MYGBFOZZWCQFJN-SFHVURJKSA-N 1 0 403.482 4.368 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000543489375 940081463 /nfs/dbraw/zinc/08/14/63/940081463.db2.gz BTGBMZJTBITWKR-ZIAGYGMSSA-N 1 0 409.408 4.358 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1C(F)(F)F ZINC000543489373 940081591 /nfs/dbraw/zinc/08/15/91/940081591.db2.gz BTGBMZJTBITWKR-UONOGXRCSA-N 1 0 409.408 4.358 20 5 HIBDRO CCN1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000544029173 940304301 /nfs/dbraw/zinc/30/43/01/940304301.db2.gz SKKGWWZEDMTSHC-PUKNDKIYSA-N 1 0 405.420 4.450 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000544610830 940490182 /nfs/dbraw/zinc/49/01/82/940490182.db2.gz ADCNXTFESIIYBC-OAHLLOKOSA-N 1 0 404.308 4.282 20 5 HIBDRO COc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000545561124 940574645 /nfs/dbraw/zinc/57/46/45/940574645.db2.gz UWSPLIQJKQODCM-UHFFFAOYSA-N 1 0 412.486 4.185 20 5 HIBDRO Cc1c(Cc2noc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)cccc1[N+](=O)[O-] ZINC000546487068 940833184 /nfs/dbraw/zinc/83/31/84/940833184.db2.gz ZBQYQTMGZGIDJU-GOSISDBHSA-N 1 0 410.449 4.396 20 5 HIBDRO Cc1cc(Cc2noc(-c3ccc(C[NH+]4CCSCC4)cc3)n2)ccc1[N+](=O)[O-] ZINC000546560388 940853242 /nfs/dbraw/zinc/85/32/42/940853242.db2.gz RJINPRUUGZKTFI-UHFFFAOYSA-N 1 0 410.499 4.093 20 5 HIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000546760725 940878111 /nfs/dbraw/zinc/87/81/11/940878111.db2.gz GRYKOEOUYRXPNJ-BHDDXSALSA-N 1 0 416.449 4.342 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000547099172 940995076 /nfs/dbraw/zinc/99/50/76/940995076.db2.gz VVEZTAAXBAQLNU-AWEZNQCLSA-N 1 0 414.487 4.439 20 5 HIBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc21 ZINC000547248370 941042985 /nfs/dbraw/zinc/04/29/85/941042985.db2.gz WAYGCWPJSUHNAZ-UHFFFAOYSA-N 1 0 412.465 4.167 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000547270779 941049690 /nfs/dbraw/zinc/04/96/90/941049690.db2.gz LLZBZCWIUFDGMC-SFHVURJKSA-N 1 0 407.873 4.084 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549252205 941174378 /nfs/dbraw/zinc/17/43/78/941174378.db2.gz BBGFBPIFDBRRSB-HXUWFJFHSA-N 1 0 412.490 4.026 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000549294671 941177784 /nfs/dbraw/zinc/17/77/84/941177784.db2.gz UFSDEKHRACPNQG-UHFFFAOYSA-N 1 0 423.513 4.122 20 5 HIBDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3c(Cl)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549477265 941194612 /nfs/dbraw/zinc/19/46/12/941194612.db2.gz PZNKMHCPKKWVOL-TZIWHRDSSA-N 1 0 401.894 4.324 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549510513 941197522 /nfs/dbraw/zinc/19/75/22/941197522.db2.gz XWHAGAJXPNQLHF-KSSFIOAISA-N 1 0 404.898 4.220 20 5 HIBDRO CN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000549687619 941204525 /nfs/dbraw/zinc/20/45/25/941204525.db2.gz MBUIJCFRSJCHPM-ROUUACIJSA-N 1 0 415.362 4.427 20 5 HIBDRO CN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000549687617 941204558 /nfs/dbraw/zinc/20/45/58/941204558.db2.gz MBUIJCFRSJCHPM-MSOLQXFVSA-N 1 0 415.362 4.427 20 5 HIBDRO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000550970520 941388461 /nfs/dbraw/zinc/38/84/61/941388461.db2.gz MPIUOFPRSVZEAP-AZUAARDMSA-N 1 0 409.530 4.384 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000551259527 941437233 /nfs/dbraw/zinc/43/72/33/941437233.db2.gz QICRHWUHLMFDIX-ZIAGYGMSSA-N 1 0 424.339 4.049 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000551675479 941524486 /nfs/dbraw/zinc/52/44/86/941524486.db2.gz DXZLDQQXMGMAGX-MRXNPFEDSA-N 1 0 415.799 4.300 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000552058731 941576539 /nfs/dbraw/zinc/57/65/39/941576539.db2.gz YAJAALUXUHGHLO-JPYJTQIMSA-N 1 0 419.529 4.233 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000552058732 941576717 /nfs/dbraw/zinc/57/67/17/941576717.db2.gz YAJAALUXUHGHLO-MBSDFSHPSA-N 1 0 419.529 4.233 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552913592 941802031 /nfs/dbraw/zinc/80/20/31/941802031.db2.gz NRWOXKWNYYNZQN-QWHCGFSZSA-N 1 0 411.380 4.214 20 5 HIBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000553502490 941897368 /nfs/dbraw/zinc/89/73/68/941897368.db2.gz AOERNWRYOQQZNN-UHFFFAOYSA-N 1 0 424.545 4.355 20 5 HIBDRO CCC1(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CCOCC1 ZINC000553517340 941900541 /nfs/dbraw/zinc/90/05/41/941900541.db2.gz LSZSLBPXIYZBCQ-UHFFFAOYSA-N 1 0 414.502 4.479 20 5 HIBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000553559647 941908826 /nfs/dbraw/zinc/90/88/26/941908826.db2.gz NBKACUCRVVZLHV-UHFFFAOYSA-N 1 0 424.545 4.355 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000553595639 941916820 /nfs/dbraw/zinc/91/68/20/941916820.db2.gz CHPVTTHYHDAMLX-OAHLLOKOSA-N 1 0 410.499 4.413 20 5 HIBDRO CC(C)(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000553709350 941948443 /nfs/dbraw/zinc/94/84/43/941948443.db2.gz FBIGZECIJIBLEE-SFHVURJKSA-N 1 0 417.456 4.104 20 5 HIBDRO CC(C)(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000553709349 941948499 /nfs/dbraw/zinc/94/84/99/941948499.db2.gz FBIGZECIJIBLEE-GOSISDBHSA-N 1 0 417.456 4.104 20 5 HIBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000553867397 941987564 /nfs/dbraw/zinc/98/75/64/941987564.db2.gz PCRPYZBVWRQBSN-KRWDZBQOSA-N 1 0 409.486 4.334 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1OC ZINC000554291472 942092231 /nfs/dbraw/zinc/09/22/31/942092231.db2.gz VYMQIQIMCDMLMQ-CHWSQXEVSA-N 1 0 421.881 4.252 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000555005873 942352759 /nfs/dbraw/zinc/35/27/59/942352759.db2.gz DUIQIBYGGCAXDM-UHFFFAOYSA-N 1 0 411.502 4.155 20 5 HIBDRO CCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000556410861 942859504 /nfs/dbraw/zinc/85/95/04/942859504.db2.gz ZJOHGNJUNRFTDW-UHFFFAOYSA-N 1 0 400.866 4.337 20 5 HIBDRO Cc1ccccc1C1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000556872953 942945652 /nfs/dbraw/zinc/94/56/52/942945652.db2.gz LVSRHTLTKCOSMC-QFIPXVFZSA-N 1 0 420.513 4.064 20 5 HIBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000557160859 943036197 /nfs/dbraw/zinc/03/61/97/943036197.db2.gz YXSFJFRMIMHXBG-UHFFFAOYSA-N 1 0 418.291 4.208 20 5 HIBDRO CC[NH+](CC)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(OC)c1 ZINC000557473831 943152004 /nfs/dbraw/zinc/15/20/04/943152004.db2.gz UDONTACBWCXZNP-INIZCTEOSA-N 1 0 401.492 4.103 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 ZINC000557627358 943237540 /nfs/dbraw/zinc/23/75/40/943237540.db2.gz XENBCFANRXPUMG-VGOFRKELSA-N 1 0 411.502 4.050 20 5 HIBDRO C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000557835355 943308407 /nfs/dbraw/zinc/30/84/07/943308407.db2.gz AMKNLHRQCNIBAU-SFHVURJKSA-N 1 0 422.529 4.153 20 5 HIBDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000558894652 943727403 /nfs/dbraw/zinc/72/74/03/943727403.db2.gz FKYHVCYCMCPGJZ-RTWAWAEBSA-N 1 0 401.894 4.324 20 5 HIBDRO CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000560045681 944138854 /nfs/dbraw/zinc/13/88/54/944138854.db2.gz DOGHRZMJCPZWHI-MRXNPFEDSA-N 1 0 421.419 4.350 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000560541485 944248065 /nfs/dbraw/zinc/24/80/65/944248065.db2.gz OIMZZIJKKFCMRG-PBNJOUANSA-N 1 0 411.502 4.171 20 5 HIBDRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000560882090 944364690 /nfs/dbraw/zinc/36/46/90/944364690.db2.gz DYHOCRWNFDILAM-CQSZACIVSA-N 1 0 420.307 4.215 20 5 HIBDRO 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 944590888 /nfs/dbraw/zinc/59/08/88/944590888.db2.gz PRUUHVRUNHJDIG-RISOHXOYSA-N 1 0 419.884 4.300 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CCN(c4cc[nH+]c5ccccc54)CC3)co2)cc1 ZINC000561945081 944869849 /nfs/dbraw/zinc/86/98/49/944869849.db2.gz JONGHKBTWZSJRB-UHFFFAOYSA-N 1 0 415.453 4.120 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562056367 944914473 /nfs/dbraw/zinc/91/44/73/944914473.db2.gz GOUAXUPLVLOSIS-SJORKVTESA-N 1 0 414.893 4.234 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2cnc3ccccc3c2)c1 ZINC000562071694 944922191 /nfs/dbraw/zinc/92/21/91/944922191.db2.gz NBJONILCFZPXAA-UHFFFAOYSA-N 1 0 419.222 4.037 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000564141567 945397930 /nfs/dbraw/zinc/39/79/30/945397930.db2.gz BMRJCGPXUCBXLR-UHFFFAOYSA-N 1 0 419.428 4.090 20 5 HIBDRO CCc1ccc([C@@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000564258302 945475799 /nfs/dbraw/zinc/47/57/99/945475799.db2.gz UAYDQOVYTASIMD-UWJYYQICSA-N 1 0 400.475 4.157 20 5 HIBDRO COc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(SC)cc1OC ZINC000564485863 945618363 /nfs/dbraw/zinc/61/83/63/945618363.db2.gz FZIDGDYNAMFXKA-UHFFFAOYSA-N 1 0 401.488 4.148 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000567202895 946270458 /nfs/dbraw/zinc/27/04/58/946270458.db2.gz OIXSRUPHYXSZJX-INIZCTEOSA-N 1 0 412.202 4.116 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)co2)cc1 ZINC000568143203 946480317 /nfs/dbraw/zinc/48/03/17/946480317.db2.gz HIIYDZVERVTGGK-NHCUHLMSSA-N 1 0 418.497 4.204 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000568451793 946556668 /nfs/dbraw/zinc/55/66/68/946556668.db2.gz RCRDHOIRGVPJSE-AWEZNQCLSA-N 1 0 414.268 4.428 20 5 HIBDRO C[C@@H]1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000568912229 946747127 /nfs/dbraw/zinc/74/71/27/946747127.db2.gz VULRSSFNSKYELC-IERDGZPVSA-N 1 0 408.527 4.471 20 5 HIBDRO O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000569033670 946803323 /nfs/dbraw/zinc/80/33/23/946803323.db2.gz CHHXPJOCCMTMRE-UHFFFAOYSA-N 1 0 405.458 4.019 20 5 HIBDRO CC(C)([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000570429922 947239770 /nfs/dbraw/zinc/23/97/70/947239770.db2.gz CMEZIWDUXVEJPV-UHFFFAOYSA-N 1 0 423.391 4.437 20 5 HIBDRO C[NH+](C)CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Cc1ccccn1 ZINC000570551472 947289910 /nfs/dbraw/zinc/28/99/10/947289910.db2.gz DHFMENOVNKQANW-UHFFFAOYSA-N 1 0 414.893 4.467 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000571583916 947712338 /nfs/dbraw/zinc/71/23/38/947712338.db2.gz FDJAVBHGQQWICZ-NQIIRXRSSA-N 1 0 405.445 4.195 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000571812633 947791843 /nfs/dbraw/zinc/79/18/43/947791843.db2.gz OYGBKKHZCCKGDK-MRXNPFEDSA-N 1 0 424.238 4.203 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000571827989 947796840 /nfs/dbraw/zinc/79/68/40/947796840.db2.gz FGSOMHZKJVWWGD-XCLFUZPHSA-N 1 0 401.438 4.201 20 5 HIBDRO COc1ccc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000573886522 948320983 /nfs/dbraw/zinc/32/09/83/948320983.db2.gz RUXQOEXKWMPDAF-GOSISDBHSA-N 1 0 412.490 4.027 20 5 HIBDRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000575769711 948700101 /nfs/dbraw/zinc/70/01/01/948700101.db2.gz JMQNDPHKQQTOGY-JZWVFAODSA-N 1 0 419.529 4.060 20 5 HIBDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967012 948804864 /nfs/dbraw/zinc/80/48/64/948804864.db2.gz NRHZUUXQKYJOOO-RDTXWAMCSA-N 1 0 421.419 4.108 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164619226 719056509 /nfs/dbraw/zinc/05/65/09/719056509.db2.gz CBNROVCGSUFVBK-MAUKXSAKSA-N 1 0 422.863 4.289 20 5 HIBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164626084 719065811 /nfs/dbraw/zinc/06/58/11/719065811.db2.gz NZWGMGHPNLCRGS-RDJZCZTQSA-N 1 0 422.863 4.289 20 5 HIBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164726941 720444906 /nfs/dbraw/zinc/44/49/06/720444906.db2.gz CGXQVXMDKRWWSJ-RTBURBONSA-N 1 0 409.877 4.045 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731094 720478683 /nfs/dbraw/zinc/47/86/83/720478683.db2.gz VPVAABMCAAKCTL-WOJBJXKFSA-N 1 0 419.460 4.044 20 5 HIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164791343 721494705 /nfs/dbraw/zinc/49/47/05/721494705.db2.gz AYDAONIGRCYBCD-UHFFFAOYSA-N 1 0 417.513 4.419 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001165030213 721831025 /nfs/dbraw/zinc/83/10/25/721831025.db2.gz YZQBACKQIMHRJJ-OFAXGOBFSA-N 1 0 417.513 4.275 20 5 HIBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000436064337 861346191 /nfs/dbraw/zinc/34/61/91/861346191.db2.gz MYIGRJSPPSEALB-UHFFFAOYSA-N 1 0 419.456 4.013 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436124868 861410365 /nfs/dbraw/zinc/41/03/65/861410365.db2.gz AUDBGJZZLBDRSS-FXAWDEMLSA-N 1 0 411.505 4.247 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000436314021 861618187 /nfs/dbraw/zinc/61/81/87/861618187.db2.gz QSEMDMVSCBRSIM-ZIAGYGMSSA-N 1 0 424.423 4.230 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000015692104 846083276 /nfs/dbraw/zinc/08/32/76/846083276.db2.gz QLOIZKATYGECCL-SFHVURJKSA-N 1 0 419.572 4.338 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000022700524 846605904 /nfs/dbraw/zinc/60/59/04/846605904.db2.gz KSVHDENBGPLIPG-IBGZPJMESA-N 1 0 405.882 4.070 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000025216595 846942889 /nfs/dbraw/zinc/94/28/89/846942889.db2.gz UJBSKSUOUQAXSS-XHDPSFHLSA-N 1 0 421.906 4.411 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000026226363 847107268 /nfs/dbraw/zinc/10/72/68/847107268.db2.gz XQDLHZBVRXXCTJ-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436417616 861773202 /nfs/dbraw/zinc/77/32/02/861773202.db2.gz ZZGARWMMIBOZMM-AWEZNQCLSA-N 1 0 400.445 4.490 20 5 HIBDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000030454876 847717931 /nfs/dbraw/zinc/71/79/31/847717931.db2.gz ZISJZBDVUHLHOS-LSDHHAIUSA-N 1 0 401.463 4.068 20 5 HIBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000030531834 847730417 /nfs/dbraw/zinc/73/04/17/847730417.db2.gz GJQIRRKLJIQIHL-AVRDEDQJSA-N 1 0 406.482 4.145 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000031053774 847815128 /nfs/dbraw/zinc/81/51/28/847815128.db2.gz IBZJKSZIZKXFAG-UHFFFAOYSA-N 1 0 412.273 4.371 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000050629632 849399666 /nfs/dbraw/zinc/39/96/66/849399666.db2.gz ICLXHFAYDFUUNZ-IIDMSEBBSA-N 1 0 414.531 4.196 20 5 HIBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000057255001 850590826 /nfs/dbraw/zinc/59/08/26/850590826.db2.gz LZLZENACHMBWKI-HDICACEKSA-N 1 0 416.566 4.024 20 5 HIBDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C2CC2)cc1 ZINC000057601188 850678367 /nfs/dbraw/zinc/67/83/67/850678367.db2.gz OFHBUFKSTUFTOG-AWEZNQCLSA-N 1 0 417.893 4.496 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000061503159 851391020 /nfs/dbraw/zinc/39/10/20/851391020.db2.gz SKCWBSIMWNGDAZ-QFIPXVFZSA-N 1 0 410.518 4.049 20 5 HIBDRO COc1ccc(C[NH2+]CC2(N(C)C)CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061555455 851403748 /nfs/dbraw/zinc/40/37/48/851403748.db2.gz FGPWFQWGBVXDPI-UHFFFAOYSA-N 1 0 413.518 4.146 20 5 HIBDRO C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000061790908 851453590 /nfs/dbraw/zinc/45/35/90/851453590.db2.gz CEYOAASGUPVGRX-INIZCTEOSA-N 1 0 414.531 4.069 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000063564882 851715463 /nfs/dbraw/zinc/71/54/63/851715463.db2.gz FBXDSCSGICKJBZ-UHFFFAOYSA-N 1 0 412.309 4.188 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064521832 851920496 /nfs/dbraw/zinc/92/04/96/851920496.db2.gz OYCYAKIAAIRBRH-AWEZNQCLSA-N 1 0 405.545 4.020 20 5 HIBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065099626 852063532 /nfs/dbraw/zinc/06/35/32/852063532.db2.gz MSSZTGOIZACTIX-GOSISDBHSA-N 1 0 422.510 4.113 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065102903 852063675 /nfs/dbraw/zinc/06/36/75/852063675.db2.gz HTVTVHFSMIPVTD-UHFFFAOYSA-N 1 0 424.526 4.489 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000065511796 852162035 /nfs/dbraw/zinc/16/20/35/852162035.db2.gz ATOAAFCCFCBBAM-GOSISDBHSA-N 1 0 410.518 4.011 20 5 HIBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000065881401 852301219 /nfs/dbraw/zinc/30/12/19/852301219.db2.gz LUFVELPJSCADLB-SFHVURJKSA-N 1 0 424.545 4.213 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000071954932 852445354 /nfs/dbraw/zinc/44/53/54/852445354.db2.gz OVJPRYLSNDVWPI-QGZVFWFLSA-N 1 0 422.529 4.474 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000072006511 852462349 /nfs/dbraw/zinc/46/23/49/852462349.db2.gz CGKKVARFMWAGEO-FQEVSTJZSA-N 1 0 401.894 4.451 20 5 HIBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072035129 852478206 /nfs/dbraw/zinc/47/82/06/852478206.db2.gz GXAQGQUWIGUNOJ-UHFFFAOYSA-N 1 0 410.301 4.496 20 5 HIBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)ccc21 ZINC000072050753 852486717 /nfs/dbraw/zinc/48/67/17/852486717.db2.gz CCKIEIJMLMCSGB-UHFFFAOYSA-N 1 0 410.474 4.152 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109305971 852949709 /nfs/dbraw/zinc/94/97/09/852949709.db2.gz VUDMXOBTTRFDKP-HKUYNNGSSA-N 1 0 413.543 4.104 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109305972 852949938 /nfs/dbraw/zinc/94/99/38/852949938.db2.gz VUDMXOBTTRFDKP-MJGOQNOKSA-N 1 0 413.543 4.104 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000109497277 852976971 /nfs/dbraw/zinc/97/69/71/852976971.db2.gz OTDFQGRAFJVVCB-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)o1 ZINC000110462130 853103421 /nfs/dbraw/zinc/10/34/21/853103421.db2.gz MGZJNHMBODUZJS-UHFFFAOYSA-N 1 0 423.860 4.438 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000112654737 853236817 /nfs/dbraw/zinc/23/68/17/853236817.db2.gz LUGVTNWOBFEKOL-OAQYLSRUSA-N 1 0 417.481 4.063 20 5 HIBDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000150248628 853641958 /nfs/dbraw/zinc/64/19/58/853641958.db2.gz XKNRGRAPBKVMHI-HXUWFJFHSA-N 1 0 413.474 4.086 20 5 HIBDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])oc21 ZINC000216756395 853858642 /nfs/dbraw/zinc/85/86/42/853858642.db2.gz DPUHBJOACZTTAF-ZDUSSCGKSA-N 1 0 413.430 4.038 20 5 HIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000236577324 853899861 /nfs/dbraw/zinc/89/98/61/853899861.db2.gz MCPMSYSMQTYICQ-UHFFFAOYSA-N 1 0 401.264 4.080 20 5 HIBDRO CC(C)N1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1=O ZINC000236616784 853902595 /nfs/dbraw/zinc/90/25/95/853902595.db2.gz QVVTZTKUHBHLKW-KRWDZBQOSA-N 1 0 403.866 4.139 20 5 HIBDRO CC(C)[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236621353 853904001 /nfs/dbraw/zinc/90/40/01/853904001.db2.gz RTXOLZDMRNHZQZ-UHFFFAOYSA-N 1 0 419.529 4.410 20 5 HIBDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236756050 853919714 /nfs/dbraw/zinc/91/97/14/853919714.db2.gz ZVFDBLGUENQRMF-UHFFFAOYSA-N 1 0 407.474 4.024 20 5 HIBDRO CCC[N@@H+]1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000236808620 853926057 /nfs/dbraw/zinc/92/60/57/853926057.db2.gz VAYXDKWUDGUHPO-AWEZNQCLSA-N 1 0 422.323 4.439 20 5 HIBDRO CCOc1cc(C[NH2+][C@@H]2CCCC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000236999402 853949400 /nfs/dbraw/zinc/94/94/00/853949400.db2.gz HCMNBSCEDPBQFG-HXUWFJFHSA-N 1 0 416.522 4.246 20 5 HIBDRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237116763 853966568 /nfs/dbraw/zinc/96/65/68/853966568.db2.gz OKTZEHBAFSJHBI-INIZCTEOSA-N 1 0 424.526 4.343 20 5 HIBDRO COc1cc(CNC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237110308 853966707 /nfs/dbraw/zinc/96/67/07/853966707.db2.gz VJTRQDQLAYDZIO-UHFFFAOYSA-N 1 0 413.518 4.145 20 5 HIBDRO COc1cc(CNC2CC[NH+](C(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237111144 853966805 /nfs/dbraw/zinc/96/68/05/853966805.db2.gz FGDYWQKETNQERE-UHFFFAOYSA-N 1 0 413.518 4.145 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237196976 853979324 /nfs/dbraw/zinc/97/93/24/853979324.db2.gz PNNSUNLYZOMEAO-UHFFFAOYSA-N 1 0 402.344 4.016 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 ZINC000237247028 853990101 /nfs/dbraw/zinc/99/01/01/853990101.db2.gz ZLFAAVNXEOAMQT-UHFFFAOYSA-N 1 0 418.247 4.311 20 5 HIBDRO COc1cc(C[NH2+]CC2(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237377753 854018456 /nfs/dbraw/zinc/01/84/56/854018456.db2.gz WSFRWGFSKPISIV-UHFFFAOYSA-N 1 0 410.392 4.366 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C3CCN(Cc4ccccn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000237415184 854027596 /nfs/dbraw/zinc/02/75/96/854027596.db2.gz KPNUMUUCMCEISW-UHFFFAOYSA-N 1 0 422.485 4.013 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCN(c4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC000237416837 854027738 /nfs/dbraw/zinc/02/77/38/854027738.db2.gz PTQNXVWYJWTQFR-QGZVFWFLSA-N 1 0 407.470 4.480 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](c3cccs3)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237428525 854031756 /nfs/dbraw/zinc/03/17/56/854031756.db2.gz SPSWBVLQIMQFDK-GOSISDBHSA-N 1 0 401.488 4.317 20 5 HIBDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2 ZINC000237711916 854080589 /nfs/dbraw/zinc/08/05/89/854080589.db2.gz LKAWVTUEWXLXKI-INIZCTEOSA-N 1 0 413.865 4.045 20 5 HIBDRO O=C(C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NCc1ccco1 ZINC000237772625 854094160 /nfs/dbraw/zinc/09/41/60/854094160.db2.gz JTLIHEDOSYIRQA-UHFFFAOYSA-N 1 0 415.833 4.040 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+](C[C@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000237817384 854103196 /nfs/dbraw/zinc/10/31/96/854103196.db2.gz YDSBBEWRDKCHTN-OAHLLOKOSA-N 1 0 419.909 4.099 20 5 HIBDRO Cn1c(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)nc2c1cccc2F ZINC000237854568 854108356 /nfs/dbraw/zinc/10/83/56/854108356.db2.gz JIAPOCSRNNQNAW-UHFFFAOYSA-N 1 0 411.462 4.076 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCC(F)(F)F)o2)c(Br)c1 ZINC000237889870 854115853 /nfs/dbraw/zinc/11/58/53/854115853.db2.gz CEKMEHIAUAJPNO-UHFFFAOYSA-N 1 0 423.185 4.286 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOCC(F)(F)F)cc1 ZINC000237890635 854115995 /nfs/dbraw/zinc/11/59/95/854115995.db2.gz CPHJYALIXCMCAN-UHFFFAOYSA-N 1 0 420.391 4.116 20 5 HIBDRO Cn1cc(C[NH2+]CCc2ccc(Br)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237920753 854119957 /nfs/dbraw/zinc/11/99/57/854119957.db2.gz GAQDLFAFGQFLGC-UHFFFAOYSA-N 1 0 421.320 4.152 20 5 HIBDRO COc1ccc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 ZINC000301058652 854283354 /nfs/dbraw/zinc/28/33/54/854283354.db2.gz AXMHLIYIXXTHKZ-UHFFFAOYSA-N 1 0 406.486 4.476 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000301306048 854352757 /nfs/dbraw/zinc/35/27/57/854352757.db2.gz YOFSJZIFSUZIDG-UHFFFAOYSA-N 1 0 413.425 4.158 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000301385928 854378635 /nfs/dbraw/zinc/37/86/35/854378635.db2.gz CIXBIQVPVCSIGX-INIZCTEOSA-N 1 0 410.474 4.189 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000301385929 854379039 /nfs/dbraw/zinc/37/90/39/854379039.db2.gz CIXBIQVPVCSIGX-MRXNPFEDSA-N 1 0 410.474 4.189 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301412955 854387281 /nfs/dbraw/zinc/38/72/81/854387281.db2.gz KWJNDHWBEVIMFB-YWZLYKJASA-N 1 0 414.531 4.044 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301567339 854421946 /nfs/dbraw/zinc/42/19/46/854421946.db2.gz JZTDVNDYESPUEF-XLIONFOSSA-N 1 0 410.518 4.056 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCOCC1)c1ccccc1 ZINC000301598025 854426963 /nfs/dbraw/zinc/42/69/63/854426963.db2.gz XFILYPDJPHLLNE-QGZVFWFLSA-N 1 0 406.486 4.455 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301688398 854445138 /nfs/dbraw/zinc/44/51/38/854445138.db2.gz MOUYROQLUSUHHI-CYBMUJFWSA-N 1 0 405.296 4.390 20 5 HIBDRO O=[N+]([O-])c1cc(Br)cnc1NCc1ccnc(N2CCCCCC2)c1 ZINC000301691818 854446483 /nfs/dbraw/zinc/44/64/83/854446483.db2.gz NZKNPGFEVRVYQH-UHFFFAOYSA-N 1 0 406.284 4.140 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1OCc1ccccc1 ZINC000302169193 854541557 /nfs/dbraw/zinc/54/15/57/854541557.db2.gz LCPJWMPUNLRIFM-QUCCMNQESA-N 1 0 408.502 4.022 20 5 HIBDRO Cc1ccc(CNC(=O)C2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000302183176 854544993 /nfs/dbraw/zinc/54/49/93/854544993.db2.gz OJGMZRKKUHHVQE-UHFFFAOYSA-N 1 0 418.497 4.293 20 5 HIBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2cccc([N+](=O)[O-])c2n1 ZINC000302882211 854666133 /nfs/dbraw/zinc/66/61/33/854666133.db2.gz JREKACPLIGHOBC-LJQANCHMSA-N 1 0 406.486 4.020 20 5 HIBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000303671048 855122398 /nfs/dbraw/zinc/12/23/98/855122398.db2.gz YRAYQGXBBXZNRY-IBGZPJMESA-N 1 0 413.474 4.086 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000303805253 855209058 /nfs/dbraw/zinc/20/90/58/855209058.db2.gz XSACQITYOSLJID-UTKZUKDTSA-N 1 0 421.501 4.130 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000409665874 855592423 /nfs/dbraw/zinc/59/24/23/855592423.db2.gz MDOLWPWAWPWIEN-UHFFFAOYSA-N 1 0 422.451 4.479 20 5 HIBDRO C[N@H+]([C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000426229715 856189494 /nfs/dbraw/zinc/18/94/94/856189494.db2.gz ZZQKZMFBPBXBLH-VAMGGRTRSA-N 1 0 417.893 4.163 20 5 HIBDRO CC[C@]1(CO)CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428471685 857212345 /nfs/dbraw/zinc/21/23/45/857212345.db2.gz BZRJCOJUHOXQPP-DEOSSOPVSA-N 1 0 420.513 4.432 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@]3(CO)C[C@H]3c3ccc(F)cc3)cs2)c1 ZINC000428538281 857251698 /nfs/dbraw/zinc/25/16/98/857251698.db2.gz PSNXFXHPXPUMRB-PZJWPPBQSA-N 1 0 413.474 4.113 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000429423007 857658957 /nfs/dbraw/zinc/65/89/57/857658957.db2.gz XWZFMFCXWGNFNQ-GOEBONIOSA-N 1 0 407.308 4.168 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000429424277 857658987 /nfs/dbraw/zinc/65/89/87/857658987.db2.gz JMSPWPDQBKQLPH-HUUCEWRRSA-N 1 0 407.308 4.168 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000430666835 858258707 /nfs/dbraw/zinc/25/87/07/858258707.db2.gz ZQGUOCIMUMTXSC-PBHICJAKSA-N 1 0 421.419 4.397 20 5 HIBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)c1ccccc1 ZINC000430867912 858346881 /nfs/dbraw/zinc/34/68/81/858346881.db2.gz UIONSVOEFVETJJ-KRWDZBQOSA-N 1 0 422.510 4.203 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000430999658 858399217 /nfs/dbraw/zinc/39/92/17/858399217.db2.gz MRBHCUSKPVMHDB-OAHLLOKOSA-N 1 0 401.488 4.031 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000431685794 858740006 /nfs/dbraw/zinc/74/00/06/858740006.db2.gz LEBARSDNINBHAZ-BEFAXECRSA-N 1 0 416.547 4.274 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000431685797 858740142 /nfs/dbraw/zinc/74/01/42/858740142.db2.gz LEBARSDNINBHAZ-HNAYVOBHSA-N 1 0 416.547 4.274 20 5 HIBDRO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000431692907 858743866 /nfs/dbraw/zinc/74/38/66/858743866.db2.gz QUYIMEANFUOTLL-ZNLUXHQJSA-N 1 0 410.518 4.398 20 5 HIBDRO C[C@@H](SCC[N@H+](C)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433022504 859483287 /nfs/dbraw/zinc/48/32/87/859483287.db2.gz VTBHALPOPXYVCW-CQSZACIVSA-N 1 0 407.923 4.440 20 5 HIBDRO COC1CCN(C2(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CCCC2)CC1 ZINC000433112751 859526108 /nfs/dbraw/zinc/52/61/08/859526108.db2.gz AIYKBTRYINWBJF-OAQYLSRUSA-N 1 0 401.551 4.330 20 5 HIBDRO COc1cc([C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000433151317 859542891 /nfs/dbraw/zinc/54/28/91/859542891.db2.gz YUDVHQDCRXSVAB-IFXJQAMLSA-N 1 0 400.475 4.048 20 5 HIBDRO CC1(C)C[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433164117 859549551 /nfs/dbraw/zinc/54/95/51/859549551.db2.gz QNHSGUKDOYRHQV-YADHBBJMSA-N 1 0 407.514 4.141 20 5 HIBDRO COc1ccc([C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)N(C)C)cc1OC ZINC000433287862 859618056 /nfs/dbraw/zinc/61/80/56/859618056.db2.gz QACWHJBTXMZWRX-VQTJNVASSA-N 1 0 413.518 4.227 20 5 HIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c2ncccc12 ZINC000433435814 859702732 /nfs/dbraw/zinc/70/27/32/859702732.db2.gz IXJQTJUMSGKTBL-UHFFFAOYSA-N 1 0 410.449 4.237 20 5 HIBDRO Cn1cc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435046839 860614145 /nfs/dbraw/zinc/61/41/45/860614145.db2.gz XVRDUHIJNOXHGF-UHFFFAOYSA-N 1 0 422.460 4.229 20 5 HIBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000435298847 860725869 /nfs/dbraw/zinc/72/58/69/860725869.db2.gz OOKZPAXRJGUASN-NRFANRHFSA-N 1 0 404.438 4.115 20 5 HIBDRO Cc1c(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435328258 860740118 /nfs/dbraw/zinc/74/01/18/860740118.db2.gz KMDLXFWRTDOTOS-KRWDZBQOSA-N 1 0 421.295 4.090 20 5 HIBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437835930 863189824 /nfs/dbraw/zinc/18/98/24/863189824.db2.gz BROXYVCBUVTQRV-FQEVSTJZSA-N 1 0 417.553 4.068 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437913707 863290418 /nfs/dbraw/zinc/29/04/18/863290418.db2.gz HVRNQOWOHZUWQV-ROUUACIJSA-N 1 0 402.539 4.027 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438000363 863362538 /nfs/dbraw/zinc/36/25/38/863362538.db2.gz LOTUTNOFFKZFCZ-UHFFFAOYSA-N 1 0 422.529 4.181 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[NH+]2CCCC2)cc1 ZINC000438021071 863380700 /nfs/dbraw/zinc/38/07/00/863380700.db2.gz GGLAOQOBURETOL-HSZRJFAPSA-N 1 0 422.529 4.414 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)c2ccncc2OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438476789 863893731 /nfs/dbraw/zinc/89/37/31/863893731.db2.gz QGVPZUYQFJBVLN-MRXNPFEDSA-N 1 0 423.469 4.437 20 5 HIBDRO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000438480268 863897569 /nfs/dbraw/zinc/89/75/69/863897569.db2.gz SDDUENSICGACRD-INIZCTEOSA-N 1 0 423.469 4.437 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000438665974 864118253 /nfs/dbraw/zinc/11/82/53/864118253.db2.gz GFQILIVSRQAYFG-UHFFFAOYSA-N 1 0 406.280 4.129 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000438723675 864206837 /nfs/dbraw/zinc/20/68/37/864206837.db2.gz MDRAPMJXXXRVPV-UHFFFAOYSA-N 1 0 418.291 4.273 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000438954069 864425046 /nfs/dbraw/zinc/42/50/46/864425046.db2.gz IJZWEMAOQPXZFS-UHFFFAOYSA-N 1 0 417.893 4.308 20 5 HIBDRO COc1cc(C(=O)NCC[NH2+]C(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439496308 864853206 /nfs/dbraw/zinc/85/32/06/864853206.db2.gz UVVSNWHWHZBAPY-UHFFFAOYSA-N 1 0 421.881 4.167 20 5 HIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000468002807 881844214 /nfs/dbraw/zinc/84/42/14/881844214.db2.gz GKSJYOOUWLYGGU-MRXNPFEDSA-N 1 0 402.516 4.204 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000439884212 865196457 /nfs/dbraw/zinc/19/64/57/865196457.db2.gz SPHZVSHHAYBSAX-AEFFLSMTSA-N 1 0 412.490 4.026 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000439910599 865219212 /nfs/dbraw/zinc/21/92/12/865219212.db2.gz HVWKGINBKJWLFF-IRXDYDNUSA-N 1 0 404.511 4.112 20 5 HIBDRO C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000468052192 881877167 /nfs/dbraw/zinc/87/71/67/881877167.db2.gz RNZWLFSIZFJEHO-BBRMVZONSA-N 1 0 407.392 4.065 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000468052195 881877182 /nfs/dbraw/zinc/87/71/82/881877182.db2.gz RNZWLFSIZFJEHO-XJKSGUPXSA-N 1 0 407.392 4.065 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000442727529 867650719 /nfs/dbraw/zinc/65/07/19/867650719.db2.gz FWIZHVSCEKTYMV-GHMZBOCLSA-N 1 0 412.309 4.405 20 5 HIBDRO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000442730020 867652661 /nfs/dbraw/zinc/65/26/61/867652661.db2.gz MGNNYLKUMLEEOA-QGZVFWFLSA-N 1 0 411.527 4.446 20 5 HIBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])CC2 ZINC000442883167 867714270 /nfs/dbraw/zinc/71/42/70/867714270.db2.gz OJFDVECWORSOPN-UHFFFAOYSA-N 1 0 411.527 4.446 20 5 HIBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000442969221 867769659 /nfs/dbraw/zinc/76/96/59/867769659.db2.gz RCWBTELYWOUIGR-UHFFFAOYSA-N 1 0 417.553 4.457 20 5 HIBDRO COc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071803 867810026 /nfs/dbraw/zinc/81/00/26/867810026.db2.gz QPRREAFBTFDBJW-JXFKEZNVSA-N 1 0 400.475 4.182 20 5 HIBDRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000468238934 882134715 /nfs/dbraw/zinc/13/47/15/882134715.db2.gz ZLYCCUSPIKPVRX-HZPDHXFCSA-N 1 0 404.536 4.028 20 5 HIBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 ZINC000443650903 868246841 /nfs/dbraw/zinc/24/68/41/868246841.db2.gz JJCCKYUEZATDRK-CQSZACIVSA-N 1 0 415.421 4.142 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000443961502 868495138 /nfs/dbraw/zinc/49/51/38/868495138.db2.gz PWTXYUNEIGCWNZ-BEFAXECRSA-N 1 0 402.520 4.478 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](CO)Cc3cc(F)c(F)c(F)c3)o2)c1 ZINC000443981390 868507363 /nfs/dbraw/zinc/50/73/63/868507363.db2.gz AVGKPDOSBKLESA-CQSZACIVSA-N 1 0 420.387 4.213 20 5 HIBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444012066 868534793 /nfs/dbraw/zinc/53/47/93/868534793.db2.gz UVKIEHGWIPIKEP-INIZCTEOSA-N 1 0 423.532 4.451 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444032480 868565296 /nfs/dbraw/zinc/56/52/96/868565296.db2.gz PUNWKRQVJURYOH-HXUWFJFHSA-N 1 0 411.505 4.076 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)nc2c1 ZINC000444671451 868950375 /nfs/dbraw/zinc/95/03/75/868950375.db2.gz GHCGURIFVDQSTC-JTQLQIEISA-N 1 0 411.409 4.326 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2)c1 ZINC000444737084 868982956 /nfs/dbraw/zinc/98/29/56/868982956.db2.gz WRZGEDJGXNAOHH-GOSISDBHSA-N 1 0 419.481 4.487 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000444822979 869032733 /nfs/dbraw/zinc/03/27/33/869032733.db2.gz ABWXZOHBAGBQCD-UHFFFAOYSA-N 1 0 413.521 4.453 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444833684 869041018 /nfs/dbraw/zinc/04/10/18/869041018.db2.gz IUQCFWTZIDNFOI-UHFFFAOYSA-N 1 0 411.505 4.207 20 5 HIBDRO C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445165170 869252932 /nfs/dbraw/zinc/25/29/32/869252932.db2.gz YQXQWDAYVFSJIN-SJORKVTESA-N 1 0 403.526 4.064 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000446018129 869985074 /nfs/dbraw/zinc/98/50/74/869985074.db2.gz CHNFYTACPHOXBO-UHFFFAOYSA-N 1 0 401.894 4.199 20 5 HIBDRO CN(C)c1noc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)n1 ZINC000446975626 870874122 /nfs/dbraw/zinc/87/41/22/870874122.db2.gz RYJHOULIFKYXKO-AWEZNQCLSA-N 1 0 413.503 4.152 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 ZINC000447326566 871218113 /nfs/dbraw/zinc/21/81/13/871218113.db2.gz UHALUTWZMMFARS-UHFFFAOYSA-N 1 0 410.392 4.331 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)CCC2 ZINC000447529190 871392355 /nfs/dbraw/zinc/39/23/55/871392355.db2.gz KUEDAKKYQCIQEX-VQIMIIECSA-N 1 0 410.392 4.021 20 5 HIBDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1OCC(=O)N(C)C ZINC000447528932 871392737 /nfs/dbraw/zinc/39/27/37/871392737.db2.gz KAQYHPYTRIXFMI-NHCUHLMSSA-N 1 0 411.502 4.180 20 5 HIBDRO CCc1nc(CN2CCC(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)cs1 ZINC000447534820 871400717 /nfs/dbraw/zinc/40/07/17/871400717.db2.gz AFKFEDVHHCEQLX-NRFANRHFSA-N 1 0 414.575 4.493 20 5 HIBDRO CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000447535288 871401163 /nfs/dbraw/zinc/40/11/63/871401163.db2.gz DZJZHMRBGQKKNR-WWNBULGVSA-N 1 0 403.552 4.009 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)n1 ZINC000447542840 871408632 /nfs/dbraw/zinc/40/86/32/871408632.db2.gz QIKCCWWFIHOVBN-RBUKOAKNSA-N 1 0 411.437 4.391 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cc3c(c(Br)c1)OCO3)CCC2 ZINC000447554320 871435904 /nfs/dbraw/zinc/43/59/04/871435904.db2.gz ZYAXELOQIUNHRS-INIZCTEOSA-N 1 0 405.248 4.253 20 5 HIBDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000447581412 871485926 /nfs/dbraw/zinc/48/59/26/871485926.db2.gz UJVLNOVDFMZMMQ-QMHKHESXSA-N 1 0 411.502 4.106 20 5 HIBDRO COc1ccccc1[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC(C)C ZINC000447603199 871509740 /nfs/dbraw/zinc/50/97/40/871509740.db2.gz VSDHURQONQRDDV-BJLQDIEVSA-N 1 0 402.495 4.040 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000447797848 871734112 /nfs/dbraw/zinc/73/41/12/871734112.db2.gz OIOUPSIZPVGDTM-ACJLOTCBSA-N 1 0 405.907 4.271 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000468652797 882789633 /nfs/dbraw/zinc/78/96/33/882789633.db2.gz SKOFYKXHLWXTHH-RMWKRFJVSA-N 1 0 409.530 4.488 20 5 HIBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461446859 874504578 /nfs/dbraw/zinc/50/45/78/874504578.db2.gz LZOIHUNFIIQECR-SFHVURJKSA-N 1 0 408.502 4.286 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448647 874507830 /nfs/dbraw/zinc/50/78/30/874507830.db2.gz KVYCOEQGAGSJPT-IEBWSBKVSA-N 1 0 421.522 4.404 20 5 HIBDRO Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461951910 875082292 /nfs/dbraw/zinc/08/22/92/875082292.db2.gz DJPMJDKQAKPHOG-MRXNPFEDSA-N 1 0 408.424 4.275 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000462557349 875682566 /nfs/dbraw/zinc/68/25/66/875682566.db2.gz UNCDZDHNMRYKOG-REWPJTCUSA-N 1 0 418.497 4.495 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462614413 875726385 /nfs/dbraw/zinc/72/63/85/875726385.db2.gz MCCJQOCRAMPOKF-VLCRHTCISA-N 1 0 409.530 4.190 20 5 HIBDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000462734028 875807304 /nfs/dbraw/zinc/80/73/04/875807304.db2.gz MGWVKFNJJYCIFU-QFIPXVFZSA-N 1 0 403.482 4.267 20 5 HIBDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1=O ZINC000462752664 875818444 /nfs/dbraw/zinc/81/84/44/875818444.db2.gz BJEVTPCUDVZUMJ-UKPHBRMFSA-N 1 0 415.877 4.139 20 5 HIBDRO COc1ccc(-c2ccc(CNc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)o2)c([N+](=O)[O-])c1 ZINC000462857141 875891341 /nfs/dbraw/zinc/89/13/41/875891341.db2.gz RWIQKUIJPWDHLI-GOSISDBHSA-N 1 0 423.469 4.042 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462921279 875950844 /nfs/dbraw/zinc/95/08/44/875950844.db2.gz DZWVTOSIXBAVAT-OALUTQOASA-N 1 0 415.559 4.253 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000462991201 876005280 /nfs/dbraw/zinc/00/52/80/876005280.db2.gz UISSVTHXYGFKEW-KNQAVFIVSA-N 1 0 409.530 4.287 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463027928 876047751 /nfs/dbraw/zinc/04/77/51/876047751.db2.gz HZOKAIFFNIKUHL-AWEZNQCLSA-N 1 0 423.307 4.278 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161218 876215983 /nfs/dbraw/zinc/21/59/83/876215983.db2.gz MXFZTKUMMICTHI-CJNGLKHVSA-N 1 0 407.392 4.179 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463161493 876217444 /nfs/dbraw/zinc/21/74/44/876217444.db2.gz JCZOAJHTISYEQI-UHFFFAOYSA-N 1 0 421.419 4.256 20 5 HIBDRO Cc1csc(N2CCC([NH2+]Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)n1 ZINC000463243450 876300084 /nfs/dbraw/zinc/30/00/84/876300084.db2.gz BWSCIPABEUYPIW-UHFFFAOYSA-N 1 0 400.426 4.137 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000463957244 877080610 /nfs/dbraw/zinc/08/06/10/877080610.db2.gz BWECGIMKVLIZPU-UHFFFAOYSA-N 1 0 402.520 4.307 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000463964508 877090245 /nfs/dbraw/zinc/09/02/45/877090245.db2.gz OHBJAGPRFLWKPO-KXBFYZLASA-N 1 0 402.520 4.478 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000464671200 877890628 /nfs/dbraw/zinc/89/06/28/877890628.db2.gz SMZQMDQQNKLHBC-LJQANCHMSA-N 1 0 410.518 4.011 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464763668 878008028 /nfs/dbraw/zinc/00/80/28/878008028.db2.gz RIZAIKWBBQICHI-INIZCTEOSA-N 1 0 413.499 4.007 20 5 HIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779241 878025633 /nfs/dbraw/zinc/02/56/33/878025633.db2.gz UIOROIHXWWPLNW-GOEBONIOSA-N 1 0 420.560 4.263 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000464833962 878092615 /nfs/dbraw/zinc/09/26/15/878092615.db2.gz OSGQSIUOLUYONV-KDOFPFPSSA-N 1 0 401.463 4.307 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000464952097 878289474 /nfs/dbraw/zinc/28/94/74/878289474.db2.gz NDUKMKPYZLQBCM-SFHVURJKSA-N 1 0 406.486 4.060 20 5 HIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465358766 878794258 /nfs/dbraw/zinc/79/42/58/878794258.db2.gz XOEJVNVSSHNTMD-UHFFFAOYSA-N 1 0 403.526 4.105 20 5 HIBDRO COc1cc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000466451202 880229640 /nfs/dbraw/zinc/22/96/40/880229640.db2.gz GETPGZDPGLYYJV-UHFFFAOYSA-N 1 0 420.263 4.146 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000466479587 880260787 /nfs/dbraw/zinc/26/07/87/880260787.db2.gz YMPNSQIKTIOHOM-JOCHJYFZSA-N 1 0 411.502 4.332 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466513079 880287175 /nfs/dbraw/zinc/28/71/75/880287175.db2.gz GYAMZCPYQAXBJD-GHTZIAJQSA-N 1 0 410.518 4.178 20 5 HIBDRO C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 ZINC000466795902 880574679 /nfs/dbraw/zinc/57/46/79/880574679.db2.gz QQFBPIKFYYYNQG-UHFFFAOYSA-N 1 0 405.907 4.177 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1cccs1 ZINC000467220902 880949653 /nfs/dbraw/zinc/94/96/53/880949653.db2.gz YCJSZDNGHZBOGL-KSSFIOAISA-N 1 0 422.938 4.192 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccs1 ZINC000467220898 880950065 /nfs/dbraw/zinc/95/00/65/880950065.db2.gz YCJSZDNGHZBOGL-KBXCAEBGSA-N 1 0 422.938 4.192 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000467333798 881082798 /nfs/dbraw/zinc/08/27/98/881082798.db2.gz DIXZHCFBWYAQIB-HNNXBMFYSA-N 1 0 419.909 4.334 20 5 HIBDRO C[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000470042618 884284155 /nfs/dbraw/zinc/28/41/55/884284155.db2.gz FQXJZNNATRLOBM-SCLBCKFNSA-N 1 0 424.423 4.277 20 5 HIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470144421 884410333 /nfs/dbraw/zinc/41/03/33/884410333.db2.gz VNTPHROPGXYGHE-UHFFFAOYSA-N 1 0 400.454 4.110 20 5 HIBDRO COc1ccccc1NC(=O)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470171743 884451743 /nfs/dbraw/zinc/45/17/43/884451743.db2.gz NXEYBNTUKFGSPX-VKAVYKQESA-N 1 0 409.486 4.357 20 5 HIBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000470231854 884559209 /nfs/dbraw/zinc/55/92/09/884559209.db2.gz TWXXBCPGRRPDBU-SFHVURJKSA-N 1 0 408.502 4.142 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503899021 912857545 /nfs/dbraw/zinc/85/75/45/912857545.db2.gz CHXYNSVIJJKQAE-LPHOPBHVSA-N 1 0 400.475 4.087 20 5 HIBDRO COc1cc(C[NH2+]CC[C@H]2CCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503914954 912862947 /nfs/dbraw/zinc/86/29/47/912862947.db2.gz UFBFJZFIJNLTCW-HXUWFJFHSA-N 1 0 400.475 4.231 20 5 HIBDRO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000503927868 912868462 /nfs/dbraw/zinc/86/84/62/912868462.db2.gz JYJOCVVSACGEJC-UHFFFAOYSA-N 1 0 402.882 4.343 20 5 HIBDRO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470888062 885384471 /nfs/dbraw/zinc/38/44/71/885384471.db2.gz JWHBHADVPNNSQF-QHCPKHFHSA-N 1 0 424.545 4.224 20 5 HIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169035 885725797 /nfs/dbraw/zinc/72/57/97/885725797.db2.gz MNIVAOPLQSGNKW-NRFANRHFSA-N 1 0 406.486 4.393 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472350742 887186327 /nfs/dbraw/zinc/18/63/27/887186327.db2.gz QPXGNNLMCCIVNU-LHSJRXKWSA-N 1 0 401.438 4.154 20 5 HIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472460388 887318558 /nfs/dbraw/zinc/31/85/58/887318558.db2.gz CFNIGJIPSPGOTA-QFIPXVFZSA-N 1 0 420.513 4.389 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000473281626 888036670 /nfs/dbraw/zinc/03/66/70/888036670.db2.gz HEEQURPLUQKHRT-HUUCEWRRSA-N 1 0 401.894 4.135 20 5 HIBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473617366 888356822 /nfs/dbraw/zinc/35/68/22/888356822.db2.gz LBLSXMQZSVVXHV-UHFFFAOYSA-N 1 0 412.437 4.115 20 5 HIBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473690366 888463968 /nfs/dbraw/zinc/46/39/68/888463968.db2.gz ORZFXKZCRLHUMU-VQIMIIECSA-N 1 0 412.490 4.293 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473823269 888655170 /nfs/dbraw/zinc/65/51/70/888655170.db2.gz LEWWNFRVIMLQSV-IRXDYDNUSA-N 1 0 410.518 4.490 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000474349693 889227098 /nfs/dbraw/zinc/22/70/98/889227098.db2.gz ABBBOXMLRUCEPI-IBNJYYFUSA-N 1 0 418.877 4.287 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2cccc(F)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474378756 889253966 /nfs/dbraw/zinc/25/39/66/889253966.db2.gz ZMAXXGKXVJQWKI-HXUWFJFHSA-N 1 0 404.438 4.163 20 5 HIBDRO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000475113192 889964494 /nfs/dbraw/zinc/96/44/94/889964494.db2.gz RBGYFFBKJRJTGQ-DVECYGJZSA-N 1 0 422.529 4.354 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(-c3cccc(C)c3)cc2)cc1[N+](=O)[O-] ZINC000475115117 889967760 /nfs/dbraw/zinc/96/77/60/889967760.db2.gz HYLHQHFRXVKUPM-UHFFFAOYSA-N 1 0 420.465 4.412 20 5 HIBDRO CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475170950 890037171 /nfs/dbraw/zinc/03/71/71/890037171.db2.gz BLSQQRLFQXDVPJ-NQIIRXRSSA-N 1 0 410.518 4.270 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000475192552 890062228 /nfs/dbraw/zinc/06/22/28/890062228.db2.gz QXFCXAFQECDEOY-BLLLJJGKSA-N 1 0 412.412 4.094 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@](C)(OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475286234 890185828 /nfs/dbraw/zinc/18/58/28/890185828.db2.gz PISANKRUVGHFOS-QFIPXVFZSA-N 1 0 400.475 4.183 20 5 HIBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475304732 890214599 /nfs/dbraw/zinc/21/45/99/890214599.db2.gz RIEFKLFCHLGFPL-LJQANCHMSA-N 1 0 422.510 4.065 20 5 HIBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000475628182 890567530 /nfs/dbraw/zinc/56/75/30/890567530.db2.gz ZUHWENRATKTREY-MGPUTAFESA-N 1 0 406.866 4.278 20 5 HIBDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccccc1 ZINC000475637694 890579530 /nfs/dbraw/zinc/57/95/30/890579530.db2.gz AOBGWXPSUYRCPA-IBGZPJMESA-N 1 0 414.506 4.043 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000477202285 892130523 /nfs/dbraw/zinc/13/05/23/892130523.db2.gz LTVZCKSORHSBGI-SFHVURJKSA-N 1 0 403.910 4.240 20 5 HIBDRO COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2)c1 ZINC000477221724 892157375 /nfs/dbraw/zinc/15/73/75/892157375.db2.gz RPFFTCMMLAJCJG-INIZCTEOSA-N 1 0 423.469 4.241 20 5 HIBDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000504911620 913644875 /nfs/dbraw/zinc/64/48/75/913644875.db2.gz JAOKUNBNAGMXNE-KRWDZBQOSA-N 1 0 407.580 4.482 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccc(C)cc2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504918276 913653931 /nfs/dbraw/zinc/65/39/31/913653931.db2.gz GCFRWQLPZNDSLK-PGRDOPGGSA-N 1 0 413.518 4.026 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)cc1[N+](=O)[O-] ZINC000504927171 913665294 /nfs/dbraw/zinc/66/52/94/913665294.db2.gz NLHYVQYNRPOSFH-MRXNPFEDSA-N 1 0 420.469 4.492 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000504929428 913670478 /nfs/dbraw/zinc/67/04/78/913670478.db2.gz IRRWKNFELZDMMA-QGZVFWFLSA-N 1 0 400.548 4.115 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000477616084 892713022 /nfs/dbraw/zinc/71/30/22/892713022.db2.gz YIPYBMHSRJBUFU-LJQANCHMSA-N 1 0 401.894 4.432 20 5 HIBDRO Cn1c(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000477690691 892811849 /nfs/dbraw/zinc/81/18/49/892811849.db2.gz XQLDZGZAOHDZTB-UHFFFAOYSA-N 1 0 418.497 4.126 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)c(F)c1 ZINC000478251103 893425341 /nfs/dbraw/zinc/42/53/41/893425341.db2.gz FVOMTBFLWLRGKH-UHFFFAOYSA-N 1 0 422.298 4.251 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]Cc3ccnc4ccnn43)cc2[N+](=O)[O-])cc1 ZINC000478379977 893649426 /nfs/dbraw/zinc/64/94/26/893649426.db2.gz BKRZHQUSMZNNIQ-UHFFFAOYSA-N 1 0 405.483 4.387 20 5 HIBDRO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000478563253 893850323 /nfs/dbraw/zinc/85/03/23/893850323.db2.gz QNRSGNAJBQLEGB-RBBKRZOGSA-N 1 0 421.541 4.386 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000478635685 893888038 /nfs/dbraw/zinc/88/80/38/893888038.db2.gz WERAANASQFHHIV-INIZCTEOSA-N 1 0 407.942 4.294 20 5 HIBDRO Cc1c(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000478772079 894046525 /nfs/dbraw/zinc/04/65/25/894046525.db2.gz WGCJIBIMMCYJSG-KRWDZBQOSA-N 1 0 410.518 4.135 20 5 HIBDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479419349 894728493 /nfs/dbraw/zinc/72/84/93/894728493.db2.gz WZOGYRVDJGDARC-UHFFFAOYSA-N 1 0 401.850 4.029 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]CCCCn2cc(Br)cn2)c2cc([N+](=O)[O-])ccc21 ZINC000479452313 894770766 /nfs/dbraw/zinc/77/07/66/894770766.db2.gz ZMLYHQGLFZCGHL-QGZVFWFLSA-N 1 0 407.312 4.346 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 ZINC000479892941 895238435 /nfs/dbraw/zinc/23/84/35/895238435.db2.gz OVTPBJIQSWMDGX-CYBMUJFWSA-N 1 0 408.271 4.113 20 5 HIBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000480024329 895372354 /nfs/dbraw/zinc/37/23/54/895372354.db2.gz YSCIMZNPWCQMIC-UZLBHIALSA-N 1 0 411.502 4.037 20 5 HIBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000480024328 895373222 /nfs/dbraw/zinc/37/32/22/895373222.db2.gz YSCIMZNPWCQMIC-OXQOHEQNSA-N 1 0 411.502 4.037 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1)CC(C)C ZINC000480074255 895426952 /nfs/dbraw/zinc/42/69/52/895426952.db2.gz WYISYQMVCHIXCQ-UHFFFAOYSA-N 1 0 404.555 4.193 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480260592 895668532 /nfs/dbraw/zinc/66/85/32/895668532.db2.gz JDAOXDHFWJERQK-KKSFZXQISA-N 1 0 403.910 4.281 20 5 HIBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000480267386 895675635 /nfs/dbraw/zinc/67/56/35/895675635.db2.gz QSQFBEAVUPJAMH-UHFFFAOYSA-N 1 0 414.384 4.192 20 5 HIBDRO O=C(Nc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)c1ccncc1 ZINC000480905293 896261168 /nfs/dbraw/zinc/26/11/68/896261168.db2.gz ZJARSLSQAVHFQX-QFIPXVFZSA-N 1 0 416.481 4.353 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ccc(C(F)F)cc4)CC3)nc2c1 ZINC000481193537 896545683 /nfs/dbraw/zinc/54/56/83/896545683.db2.gz VMLVRWAENZOIOS-UHFFFAOYSA-N 1 0 401.417 4.121 20 5 HIBDRO CCC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000481551124 896918431 /nfs/dbraw/zinc/91/84/31/896918431.db2.gz XZZQNPYRSCEZKG-FGZHOGPDSA-N 1 0 411.502 4.135 20 5 HIBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000482326895 897829533 /nfs/dbraw/zinc/82/95/33/897829533.db2.gz NNHQQCXGAHOUBK-UHFFFAOYSA-N 1 0 422.441 4.105 20 5 HIBDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000482659922 898262624 /nfs/dbraw/zinc/26/26/24/898262624.db2.gz FKHRNCLQAWXKEG-FQEVSTJZSA-N 1 0 412.442 4.085 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482803011 898413128 /nfs/dbraw/zinc/41/31/28/898413128.db2.gz XBVSLLDGSWILFY-SIKLNZKXSA-N 1 0 408.502 4.422 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482901259 898520733 /nfs/dbraw/zinc/52/07/33/898520733.db2.gz DDKINIMUCRHJQH-IBGZPJMESA-N 1 0 401.438 4.298 20 5 HIBDRO COc1ccc(C[N@H+](CCc2ccccn2)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000483064690 898743462 /nfs/dbraw/zinc/74/34/62/898743462.db2.gz YNIHPFRHJNAXMF-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483400217 899033672 /nfs/dbraw/zinc/03/36/72/899033672.db2.gz CZCRUGSFGNXGJU-ZDUSSCGKSA-N 1 0 409.408 4.166 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)nc2c1 ZINC000483471117 899114311 /nfs/dbraw/zinc/11/43/11/899114311.db2.gz QDOQHTAWLOIYGI-RXVVDRJESA-N 1 0 406.486 4.223 20 5 HIBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483596857 899246764 /nfs/dbraw/zinc/24/67/64/899246764.db2.gz WCNVLEAJQDTTSN-FPOVZHCZSA-N 1 0 418.497 4.203 20 5 HIBDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)no1 ZINC000484305534 899866227 /nfs/dbraw/zinc/86/62/27/899866227.db2.gz VKXGFODMRULGCA-UHFFFAOYSA-N 1 0 424.457 4.042 20 5 HIBDRO CC(C)[C@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000484345137 899894297 /nfs/dbraw/zinc/89/42/97/899894297.db2.gz PJSJXFONLWTRAO-IBGZPJMESA-N 1 0 420.307 4.117 20 5 HIBDRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484655021 900099783 /nfs/dbraw/zinc/09/97/83/900099783.db2.gz YJRJCFYKEMBOSG-ICSRJNTNSA-N 1 0 408.458 4.433 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000484950591 900318172 /nfs/dbraw/zinc/31/81/72/900318172.db2.gz XKNBGLQNCLKQOS-NHCUHLMSSA-N 1 0 407.514 4.114 20 5 HIBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485079567 900396768 /nfs/dbraw/zinc/39/67/68/900396768.db2.gz PONMIPUMNMSJKX-UHFFFAOYSA-N 1 0 416.909 4.028 20 5 HIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485162937 900461418 /nfs/dbraw/zinc/46/14/18/900461418.db2.gz SRJHNLGMBCCQMB-QUCCMNQESA-N 1 0 422.529 4.153 20 5 HIBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000485848682 901092216 /nfs/dbraw/zinc/09/22/16/901092216.db2.gz UEHKFXCZZPHPQG-KRWDZBQOSA-N 1 0 416.909 4.027 20 5 HIBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000485848684 901092743 /nfs/dbraw/zinc/09/27/43/901092743.db2.gz UEHKFXCZZPHPQG-QGZVFWFLSA-N 1 0 416.909 4.027 20 5 HIBDRO C[NH+](C)CC1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000486080587 901270553 /nfs/dbraw/zinc/27/05/53/901270553.db2.gz OFSGZQHRONRUIN-UHFFFAOYSA-N 1 0 411.502 4.024 20 5 HIBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486351982 901522464 /nfs/dbraw/zinc/52/24/64/901522464.db2.gz QSCCWOMKEPVHPY-UHFFFAOYSA-N 1 0 419.481 4.165 20 5 HIBDRO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000486361102 901529639 /nfs/dbraw/zinc/52/96/39/901529639.db2.gz PJHZUVMMPPSKGO-ROUUACIJSA-N 1 0 411.502 4.167 20 5 HIBDRO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000486361103 901530162 /nfs/dbraw/zinc/53/01/62/901530162.db2.gz PJHZUVMMPPSKGO-ZWKOTPCHSA-N 1 0 411.502 4.167 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000486753919 901830753 /nfs/dbraw/zinc/83/07/53/901830753.db2.gz QVELKXWTNAWHMR-DLBZAZTESA-N 1 0 405.564 4.433 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000505924349 914573024 /nfs/dbraw/zinc/57/30/24/914573024.db2.gz FSIPWAIQSVEINB-ULQDDVLXSA-N 1 0 423.941 4.129 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)CC(C)C ZINC000486830900 901883105 /nfs/dbraw/zinc/88/31/05/901883105.db2.gz CCOIVGQYDUZESB-UHFFFAOYSA-N 1 0 411.493 4.022 20 5 HIBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487009142 902012456 /nfs/dbraw/zinc/01/24/56/902012456.db2.gz GWFRHIKGQCPJOK-LJQANCHMSA-N 1 0 409.530 4.187 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487516291 902231108 /nfs/dbraw/zinc/23/11/08/902231108.db2.gz HTXZIRGUGZEBRG-KBXCAEBGSA-N 1 0 402.882 4.280 20 5 HIBDRO CC1(C)CC[C@@H](C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 ZINC000488181775 902669862 /nfs/dbraw/zinc/66/98/62/902669862.db2.gz FWGRNHAGDYNYFZ-LPHOPBHVSA-N 1 0 417.893 4.475 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000488498709 902856086 /nfs/dbraw/zinc/85/60/86/902856086.db2.gz MRVIBIAYNXYYGY-FIKGOQFSSA-N 1 0 413.543 4.102 20 5 HIBDRO CC(C)(NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000488969751 903100386 /nfs/dbraw/zinc/10/03/86/903100386.db2.gz JWMFRVIUQDSNRS-IHWFROFDSA-N 1 0 422.529 4.325 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCSCC2)ccc1Oc1ccccc1Cl ZINC000489061601 903164857 /nfs/dbraw/zinc/16/48/57/903164857.db2.gz BGSANFZUGWSAPR-UHFFFAOYSA-N 1 0 407.923 4.179 20 5 HIBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)c(OC)c1 ZINC000506017370 914694240 /nfs/dbraw/zinc/69/42/40/914694240.db2.gz QYYLZTXKOUAHBG-UHFFFAOYSA-N 1 0 410.474 4.035 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000489143088 903228406 /nfs/dbraw/zinc/22/84/06/903228406.db2.gz UAWRNMBGTUDKJI-LPHOPBHVSA-N 1 0 400.479 4.002 20 5 HIBDRO Cc1cc(N2CCC[N@H+](Cc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489276109 903301092 /nfs/dbraw/zinc/30/10/92/903301092.db2.gz JBKPAQABISNMJK-UHFFFAOYSA-N 1 0 403.486 4.073 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000489319520 903329265 /nfs/dbraw/zinc/32/92/65/903329265.db2.gz GZFOQGHJUSYSFE-HNAYVOBHSA-N 1 0 416.547 4.274 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489509334 903430554 /nfs/dbraw/zinc/43/05/54/903430554.db2.gz GRQRSOPVFYBIHB-CVDCTZTESA-N 1 0 424.545 4.425 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000489541213 903452630 /nfs/dbraw/zinc/45/26/30/903452630.db2.gz YTXRGUOJDZYEGI-QGZVFWFLSA-N 1 0 405.564 4.433 20 5 HIBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489867866 903640140 /nfs/dbraw/zinc/64/01/40/903640140.db2.gz CHYBEZQLXDZRJF-JOCHJYFZSA-N 1 0 408.502 4.106 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000489869444 903642145 /nfs/dbraw/zinc/64/21/45/903642145.db2.gz FKHIKQGOGCSEGH-HDICACEKSA-N 1 0 402.539 4.027 20 5 HIBDRO COc1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490550595 904094537 /nfs/dbraw/zinc/09/45/37/904094537.db2.gz WZLVHIBVMXQBSG-MRXNPFEDSA-N 1 0 414.449 4.171 20 5 HIBDRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)no1 ZINC000506257573 914867789 /nfs/dbraw/zinc/86/77/89/914867789.db2.gz DAQIVWJJPOGVEV-UHFFFAOYSA-N 1 0 410.430 4.002 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000493307837 905081732 /nfs/dbraw/zinc/08/17/32/905081732.db2.gz BESBVFSBQVSTKU-RTBURBONSA-N 1 0 410.518 4.270 20 5 HIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000493601415 905170783 /nfs/dbraw/zinc/17/07/83/905170783.db2.gz HDMJQSKLANLACJ-ROUUACIJSA-N 1 0 414.449 4.075 20 5 HIBDRO C[C@@H]1[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1Cc1ccccc1 ZINC000494059022 905398011 /nfs/dbraw/zinc/39/80/11/905398011.db2.gz HOOHEEWNTOWCOQ-VGOFRKELSA-N 1 0 411.505 4.074 20 5 HIBDRO C[C@@H]1[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494069337 905405992 /nfs/dbraw/zinc/40/59/92/905405992.db2.gz OJQWDYQQXQKNKW-DYESRHJHSA-N 1 0 416.481 4.050 20 5 HIBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494402516 905694811 /nfs/dbraw/zinc/69/48/11/905694811.db2.gz CSKKJMRMKPSFPJ-UHFFFAOYSA-N 1 0 400.523 4.066 20 5 HIBDRO COc1cc(NCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000494439223 905722537 /nfs/dbraw/zinc/72/25/37/905722537.db2.gz JDACLNBIWNMPOR-HSZRJFAPSA-N 1 0 407.470 4.403 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000494465503 905748000 /nfs/dbraw/zinc/74/80/00/905748000.db2.gz NEXGIKMSRJYGCQ-LLVKDONJSA-N 1 0 414.380 4.490 20 5 HIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000494498458 905788125 /nfs/dbraw/zinc/78/81/25/905788125.db2.gz WDEQCJMMPGUVET-QRWLVFNGSA-N 1 0 423.435 4.165 20 5 HIBDRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531305 905815180 /nfs/dbraw/zinc/81/51/80/905815180.db2.gz ZKDKZZLXEDKPCB-AUUYWEPGSA-N 1 0 408.424 4.009 20 5 HIBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000512521613 921212856 /nfs/dbraw/zinc/21/28/56/921212856.db2.gz HNZPAXAEEULDPT-CQSZACIVSA-N 1 0 405.882 4.246 20 5 HIBDRO O=C1C[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000495045008 906200883 /nfs/dbraw/zinc/20/08/83/906200883.db2.gz GWTRIQSPVXJROZ-NLFFAJNJSA-N 1 0 415.493 4.323 20 5 HIBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495104585 906242124 /nfs/dbraw/zinc/24/21/24/906242124.db2.gz YJNOTKOANHHQPN-MSOLQXFVSA-N 1 0 411.502 4.024 20 5 HIBDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000512609620 921259531 /nfs/dbraw/zinc/25/95/31/921259531.db2.gz OEKJXBSCXNBNPV-UHFFFAOYSA-N 1 0 421.453 4.411 20 5 HIBDRO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000512646549 921273439 /nfs/dbraw/zinc/27/34/39/921273439.db2.gz BCGRYLYQIQLNBQ-KCSJKLDESA-N 1 0 410.518 4.011 20 5 HIBDRO C[C@@H]([NH2+]C1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000497538623 907031100 /nfs/dbraw/zinc/03/11/00/907031100.db2.gz YNMIGTCSUJZTIY-MRXNPFEDSA-N 1 0 417.531 4.074 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000512699623 921291639 /nfs/dbraw/zinc/29/16/39/921291639.db2.gz SHIBTBSEVFWDPK-HXUWFJFHSA-N 1 0 403.454 4.448 20 5 HIBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000497872173 907348724 /nfs/dbraw/zinc/34/87/24/907348724.db2.gz RCNXTVVMDIRJQR-UHFFFAOYSA-N 1 0 401.894 4.029 20 5 HIBDRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497910593 907383067 /nfs/dbraw/zinc/38/30/67/907383067.db2.gz LAOYWBMLVRKRDO-HXUWFJFHSA-N 1 0 424.888 4.363 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1cccs1 ZINC000498151945 907676891 /nfs/dbraw/zinc/67/68/91/907676891.db2.gz GGAIFNTVBOMHBU-VBKZILBWSA-N 1 0 410.499 4.017 20 5 HIBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498271613 907808935 /nfs/dbraw/zinc/80/89/35/907808935.db2.gz WFEXKVVSBBLVTO-YQQQUEKLSA-N 1 0 416.481 4.068 20 5 HIBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000498456466 907919667 /nfs/dbraw/zinc/91/96/67/907919667.db2.gz FLXNTRSIVLGPIV-QGZVFWFLSA-N 1 0 422.957 4.088 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498690026 908119468 /nfs/dbraw/zinc/11/94/68/908119468.db2.gz PQLFVEAPHCGJOS-UGKGYDQZSA-N 1 0 424.545 4.425 20 5 HIBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498718083 908143180 /nfs/dbraw/zinc/14/31/80/908143180.db2.gz BKOXNVXWJZPLDK-AWEZNQCLSA-N 1 0 403.866 4.207 20 5 HIBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000499359457 908729552 /nfs/dbraw/zinc/72/95/52/908729552.db2.gz LHFYWDFHOBFHCI-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO C[C@@H]([NH2+]C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000499960254 909400877 /nfs/dbraw/zinc/40/08/77/909400877.db2.gz TVSAKQGJJLFDJA-GOSISDBHSA-N 1 0 411.502 4.144 20 5 HIBDRO COc1ccc(C[NH2+]CCc2nc(C)oc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000500244839 909732218 /nfs/dbraw/zinc/73/22/18/909732218.db2.gz SUIGVCURYDDNKT-UHFFFAOYSA-N 1 0 411.458 4.120 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000513091267 921541064 /nfs/dbraw/zinc/54/10/64/921541064.db2.gz ZBDCMSMTBTYXHX-GOSISDBHSA-N 1 0 419.481 4.497 20 5 HIBDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000501555685 910658163 /nfs/dbraw/zinc/65/81/63/910658163.db2.gz WAHJRUSLASAGCR-LLVKDONJSA-N 1 0 424.320 4.369 20 5 HIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329052 911307818 /nfs/dbraw/zinc/30/78/18/911307818.db2.gz DBFGPZHRAHTOBE-CRAIPNDOSA-N 1 0 411.506 4.387 20 5 HIBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)CC1 ZINC000502900156 911891607 /nfs/dbraw/zinc/89/16/07/911891607.db2.gz XPBUKLUUPQSRFO-UHFFFAOYSA-N 1 0 408.458 4.124 20 5 HIBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000506477154 915080576 /nfs/dbraw/zinc/08/05/76/915080576.db2.gz MJQHBIIYATZFIH-NRFANRHFSA-N 1 0 408.527 4.425 20 5 HIBDRO CC[NH+]1CCC(N(C)Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000506691915 915371305 /nfs/dbraw/zinc/37/13/05/915371305.db2.gz ZBHGMPNCXRZTTJ-UHFFFAOYSA-N 1 0 413.518 4.099 20 5 HIBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000507097177 915867652 /nfs/dbraw/zinc/86/76/52/915867652.db2.gz DLVFRFHANYAZJL-HNNXBMFYSA-N 1 0 417.893 4.246 20 5 HIBDRO C[C@@H]1CSC[C@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507259866 916022026 /nfs/dbraw/zinc/02/20/26/916022026.db2.gz BXZFMQMGLJYYEF-PJSAGSTRSA-N 1 0 405.907 4.269 20 5 HIBDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507481950 916250009 /nfs/dbraw/zinc/25/00/09/916250009.db2.gz DMHHQOQQFQBYRX-GJZGRUSLSA-N 1 0 403.504 4.011 20 5 HIBDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507489044 916257372 /nfs/dbraw/zinc/25/73/72/916257372.db2.gz CPNMCQVHNZJKEB-LSDHHAIUSA-N 1 0 403.504 4.011 20 5 HIBDRO CCC[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000507608509 916364168 /nfs/dbraw/zinc/36/41/68/916364168.db2.gz WDIZMTXAXFHKJC-ICSRJNTNSA-N 1 0 409.465 4.438 20 5 HIBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000507629332 916388024 /nfs/dbraw/zinc/38/80/24/916388024.db2.gz JDOOEBHPXMGHND-UHFFFAOYSA-N 1 0 418.457 4.100 20 5 HIBDRO CNC(=O)C1CCC([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000507914062 916791341 /nfs/dbraw/zinc/79/13/41/916791341.db2.gz OGKJYVHCTHCAQK-UHFFFAOYSA-N 1 0 417.893 4.435 20 5 HIBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000507931756 916805433 /nfs/dbraw/zinc/80/54/33/916805433.db2.gz YFHRHFKBBDDIIB-HOTGVXAUSA-N 1 0 401.532 4.447 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)cc1 ZINC000508020551 916857661 /nfs/dbraw/zinc/85/76/61/916857661.db2.gz HQMUMVMFPAPCCN-KRWDZBQOSA-N 1 0 400.385 4.270 20 5 HIBDRO COc1cc(CNCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000508101567 916919206 /nfs/dbraw/zinc/91/92/06/916919206.db2.gz JPKZPNUPDXSNNM-SFHVURJKSA-N 1 0 413.518 4.004 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508589098 917361032 /nfs/dbraw/zinc/36/10/32/917361032.db2.gz PIBBMBLZGUXFCX-HXUWFJFHSA-N 1 0 421.419 4.008 20 5 HIBDRO C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000508848213 917600586 /nfs/dbraw/zinc/60/05/86/917600586.db2.gz OVIFLNOUINQRAP-YVEFUNNKSA-N 1 0 408.405 4.009 20 5 HIBDRO CC(C)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+]1CCC(C)CC1 ZINC000509278609 917963862 /nfs/dbraw/zinc/96/38/62/917963862.db2.gz IGEXZTJOQXIGST-OAQYLSRUSA-N 1 0 404.555 4.271 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509421016 918081045 /nfs/dbraw/zinc/08/10/45/918081045.db2.gz OWZAPWHZCYUEHS-UHFFFAOYSA-N 1 0 413.861 4.336 20 5 HIBDRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000509528618 918175719 /nfs/dbraw/zinc/17/57/19/918175719.db2.gz SIUCNKQPCJNYPA-HYXAFXHYSA-N 1 0 415.877 4.318 20 5 HIBDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)C1 ZINC000509562394 918211894 /nfs/dbraw/zinc/21/18/94/918211894.db2.gz VXOYJAPZXNKYGZ-KRWDZBQOSA-N 1 0 411.502 4.325 20 5 HIBDRO CCN(CC)[C@@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000509623704 918271635 /nfs/dbraw/zinc/27/16/35/918271635.db2.gz ZFILWZMZJXHJBP-SFHVURJKSA-N 1 0 407.898 4.135 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+](C)C ZINC000510549957 918994263 /nfs/dbraw/zinc/99/42/63/918994263.db2.gz NILMZUBTRABZOQ-MZNJEOGPSA-N 1 0 413.521 4.411 20 5 HIBDRO C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510800372 919272933 /nfs/dbraw/zinc/27/29/33/919272933.db2.gz QEAYRMDUZUYWRU-ZBFHGGJFSA-N 1 0 414.531 4.101 20 5 HIBDRO COc1cc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000510891156 919388883 /nfs/dbraw/zinc/38/88/83/919388883.db2.gz BSFJYGJSCVJCMF-CALCHBBNSA-N 1 0 411.502 4.011 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510976119 919525125 /nfs/dbraw/zinc/52/51/25/919525125.db2.gz FDWBOIDTNOUJJN-XMSQKQJNSA-N 1 0 424.545 4.202 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000511494868 920105563 /nfs/dbraw/zinc/10/55/63/920105563.db2.gz AZEDXVKLHBSGDG-UHFFFAOYSA-N 1 0 421.419 4.270 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511545323 920172900 /nfs/dbraw/zinc/17/29/00/920172900.db2.gz KXHKTDWCRRGNIC-IBGZPJMESA-N 1 0 423.391 4.481 20 5 HIBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511640286 920304643 /nfs/dbraw/zinc/30/46/43/920304643.db2.gz LULWXTCAXHODHJ-FQEVSTJZSA-N 1 0 400.475 4.183 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000511766500 920451765 /nfs/dbraw/zinc/45/17/65/920451765.db2.gz CJQGJTXTOPRFTI-HXUWFJFHSA-N 1 0 413.543 4.104 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000511784883 920477281 /nfs/dbraw/zinc/47/72/81/920477281.db2.gz MHVJYPWYQVHTRU-HXUWFJFHSA-N 1 0 413.543 4.104 20 5 HIBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000512002224 920770792 /nfs/dbraw/zinc/77/07/92/920770792.db2.gz QVWMKLDYHCCXIW-CQSZACIVSA-N 1 0 419.934 4.423 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000512273965 921029127 /nfs/dbraw/zinc/02/91/27/921029127.db2.gz KKQBUWHGYSJVIE-UHFFFAOYSA-N 1 0 411.483 4.451 20 5 HIBDRO COCC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000513448763 921815185 /nfs/dbraw/zinc/81/51/85/921815185.db2.gz VOTSKHCJYVWCDX-UHFFFAOYSA-N 1 0 406.486 4.306 20 5 HIBDRO Cn1ccnc1[C@H](NCC1([NH+]2CCCCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000513762348 922081108 /nfs/dbraw/zinc/08/11/08/922081108.db2.gz QQIMNZSMBSVBHQ-OAQYLSRUSA-N 1 0 411.550 4.196 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@@H](C)O1 ZINC000515546473 923168435 /nfs/dbraw/zinc/16/84/35/923168435.db2.gz WQKRYYVNRVBREJ-IAGOWNOFSA-N 1 0 406.486 4.364 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000515715663 923298062 /nfs/dbraw/zinc/29/80/62/923298062.db2.gz XEGJPHNDFKDHRB-UHFFFAOYSA-N 1 0 419.485 4.061 20 5 HIBDRO CC1CC[NH+]([C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000518708188 927447635 /nfs/dbraw/zinc/44/76/35/927447635.db2.gz BBPAUZCVPZJVSM-SFHVURJKSA-N 1 0 417.531 4.015 20 5 HIBDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000518852354 927556153 /nfs/dbraw/zinc/55/61/53/927556153.db2.gz CHZAPHUNXAFIEL-UHFFFAOYSA-N 1 0 411.568 4.003 20 5 HIBDRO CCCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000518943938 927647477 /nfs/dbraw/zinc/64/74/77/927647477.db2.gz JXEVFNCYTARMAG-UHFFFAOYSA-N 1 0 401.511 4.023 20 5 HIBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000520130308 928328291 /nfs/dbraw/zinc/32/82/91/928328291.db2.gz ROFUHAMIAKPBRV-OAHLLOKOSA-N 1 0 404.898 4.083 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCOc2cccc(Br)c2)c1 ZINC000520201725 928385750 /nfs/dbraw/zinc/38/57/50/928385750.db2.gz DWHWWHMUEAMXTL-UHFFFAOYSA-N 1 0 417.206 4.127 20 5 HIBDRO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000520318466 928481030 /nfs/dbraw/zinc/48/10/30/928481030.db2.gz QLADGTWKGNIBSI-KRWDZBQOSA-N 1 0 415.877 4.349 20 5 HIBDRO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000520390081 928543175 /nfs/dbraw/zinc/54/31/75/928543175.db2.gz IBIHPGSKYZRZJM-OAQYLSRUSA-N 1 0 413.518 4.146 20 5 HIBDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000520401164 928547945 /nfs/dbraw/zinc/54/79/45/928547945.db2.gz SZVZHIPFEVPWNX-UHFFFAOYSA-N 1 0 411.568 4.003 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000521331122 929146328 /nfs/dbraw/zinc/14/63/28/929146328.db2.gz YFUGQDBEYGPWFK-MRXNPFEDSA-N 1 0 423.941 4.130 20 5 HIBDRO COc1cc(OC)c(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC000521338494 929152654 /nfs/dbraw/zinc/15/26/54/929152654.db2.gz OFMLVDOQMMMNKJ-UHFFFAOYSA-N 1 0 412.442 4.213 20 5 HIBDRO CC(C)[N@H+](C)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000521821424 929479320 /nfs/dbraw/zinc/47/93/20/929479320.db2.gz QXQUPJCQWXLFPX-UHFFFAOYSA-N 1 0 410.312 4.437 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000521829106 929482151 /nfs/dbraw/zinc/48/21/51/929482151.db2.gz NMRWTTSAEBAOSW-UHFFFAOYSA-N 1 0 411.483 4.450 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000524637716 929747618 /nfs/dbraw/zinc/74/76/18/929747618.db2.gz QETMOAAAXJHMEE-QHCPKHFHSA-N 1 0 423.538 4.050 20 5 HIBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000524838981 929853812 /nfs/dbraw/zinc/85/38/12/929853812.db2.gz NBBKRNSLQMHKSS-UHFFFAOYSA-N 1 0 424.545 4.403 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000524865286 929863841 /nfs/dbraw/zinc/86/38/41/929863841.db2.gz OEEGZMATYUWPRL-MSOLQXFVSA-N 1 0 413.543 4.198 20 5 HIBDRO C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@@H+]1C ZINC000525195140 930082923 /nfs/dbraw/zinc/08/29/23/930082923.db2.gz XSHOQUNHGZOBKB-QWHCGFSZSA-N 1 0 408.296 4.190 20 5 HIBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525349772 930189115 /nfs/dbraw/zinc/18/91/15/930189115.db2.gz ZLWKBMBFYREQBX-UHFFFAOYSA-N 1 0 405.882 4.454 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000525551270 930320057 /nfs/dbraw/zinc/32/00/57/930320057.db2.gz HMBURRSNEHXWHI-YWZLYKJASA-N 1 0 414.531 4.044 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C1CCOCC1 ZINC000530567535 930751990 /nfs/dbraw/zinc/75/19/90/930751990.db2.gz FMBPRKNXXSUFCL-OAQYLSRUSA-N 1 0 414.502 4.477 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000530679968 930796811 /nfs/dbraw/zinc/79/68/11/930796811.db2.gz GEDCCHMAGWAGCP-KRWDZBQOSA-N 1 0 413.543 4.198 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)C1CCOCC1 ZINC000531043872 930896072 /nfs/dbraw/zinc/89/60/72/930896072.db2.gz ODCAMDGFJVYIKZ-OAQYLSRUSA-N 1 0 414.502 4.477 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000531443258 931058653 /nfs/dbraw/zinc/05/86/53/931058653.db2.gz DCKIZDWUKRXIQE-OLZOCXBDSA-N 1 0 406.280 4.344 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](CC)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000531698341 931160961 /nfs/dbraw/zinc/16/09/61/931160961.db2.gz VZCLHRPGSRCKNI-QFIPXVFZSA-N 1 0 411.502 4.339 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531703989 931165792 /nfs/dbraw/zinc/16/57/92/931165792.db2.gz OWZYLPJEGSWVMA-DLBZAZTESA-N 1 0 400.498 4.288 20 5 HIBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531810992 931205699 /nfs/dbraw/zinc/20/56/99/931205699.db2.gz FNDZOVLMMRDKKV-SGTLLEGYSA-N 1 0 420.307 4.190 20 5 HIBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000532566215 931527454 /nfs/dbraw/zinc/52/74/54/931527454.db2.gz PAJKBADRSAGASB-UHFFFAOYSA-N 1 0 405.882 4.292 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000532570899 931533353 /nfs/dbraw/zinc/53/33/53/931533353.db2.gz DQENNVNSUJMLLU-AUSIDOKSSA-N 1 0 422.529 4.001 20 5 HIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000533140504 931781014 /nfs/dbraw/zinc/78/10/14/931781014.db2.gz CFDPYJVPQKDXKR-ZDUSSCGKSA-N 1 0 403.866 4.366 20 5 HIBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000533220071 931813014 /nfs/dbraw/zinc/81/30/14/931813014.db2.gz FZNGRDTXHATAKI-UHFFFAOYSA-N 1 0 410.499 4.096 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000533348594 931845203 /nfs/dbraw/zinc/84/52/03/931845203.db2.gz XHNVUQITWQBROR-UHFFFAOYSA-N 1 0 421.291 4.161 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484320 931881342 /nfs/dbraw/zinc/88/13/42/931881342.db2.gz HBPIGMGQFQRBPJ-NQIIRXRSSA-N 1 0 424.545 4.217 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000533523513 931893563 /nfs/dbraw/zinc/89/35/63/931893563.db2.gz LNNTWHSQLJOYKR-UHFFFAOYSA-N 1 0 417.893 4.181 20 5 HIBDRO CC(C)C(=O)NCCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000533741131 932002482 /nfs/dbraw/zinc/00/24/82/932002482.db2.gz WJGNOCULVGIJQO-UHFFFAOYSA-N 1 0 405.882 4.292 20 5 HIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)CC1 ZINC000533889228 932083170 /nfs/dbraw/zinc/08/31/70/932083170.db2.gz WKXCNLWTCHLIAC-UHFFFAOYSA-N 1 0 420.513 4.167 20 5 HIBDRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000533922787 932101368 /nfs/dbraw/zinc/10/13/68/932101368.db2.gz STNVGPLMWVMPAO-GOSISDBHSA-N 1 0 421.522 4.462 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000534093327 932273102 /nfs/dbraw/zinc/27/31/02/932273102.db2.gz JZUGZRXGGPKXBQ-JTHBVZDNSA-N 1 0 404.470 4.105 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000534093326 932273732 /nfs/dbraw/zinc/27/37/32/932273732.db2.gz JZUGZRXGGPKXBQ-GMAHTHKFSA-N 1 0 404.470 4.105 20 5 HIBDRO COc1ccc(C[C@H](C)C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000534167465 932312589 /nfs/dbraw/zinc/31/25/89/932312589.db2.gz RYCVLBCZQMOFNU-AWEZNQCLSA-N 1 0 405.882 4.006 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](Cc3ccccc3)[C@@H](CO)C3CC3)o2)c1 ZINC000534357126 932391320 /nfs/dbraw/zinc/39/13/20/932391320.db2.gz MJRGQPBLWZAIFS-NRFANRHFSA-N 1 0 407.470 4.065 20 5 HIBDRO CC(C)C(=O)NCCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000534466924 932486978 /nfs/dbraw/zinc/48/69/78/932486978.db2.gz ONZJIWHOGLDYHF-UHFFFAOYSA-N 1 0 405.882 4.292 20 5 HIBDRO CC1CC[NH+](Cc2cccc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c2)CC1 ZINC000534694022 932664953 /nfs/dbraw/zinc/66/49/53/932664953.db2.gz ARSSZTMFRFDHLP-UHFFFAOYSA-N 1 0 420.513 4.167 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@@H+]1Cc1ccccc1 ZINC000534995798 932881168 /nfs/dbraw/zinc/88/11/68/932881168.db2.gz DGQOJPKQCKSIJD-AEFFLSMTSA-N 1 0 406.486 4.107 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)[C@@H]1CCCO1 ZINC000535187640 933003131 /nfs/dbraw/zinc/00/31/31/933003131.db2.gz XDOVQHMIWCSZGR-UXHICEINSA-N 1 0 400.475 4.230 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)[C@@H]1CCCO1 ZINC000535187637 933003133 /nfs/dbraw/zinc/00/31/33/933003133.db2.gz XDOVQHMIWCSZGR-PMACEKPBSA-N 1 0 400.475 4.230 20 5 HIBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000535212932 933018885 /nfs/dbraw/zinc/01/88/85/933018885.db2.gz XJVOOEWNGAIPHH-GOSISDBHSA-N 1 0 421.501 4.055 20 5 HIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000535339171 933081277 /nfs/dbraw/zinc/08/12/77/933081277.db2.gz CISUQPHHFSOUAQ-UHFFFAOYSA-N 1 0 413.481 4.234 20 5 HIBDRO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000535432249 933131758 /nfs/dbraw/zinc/13/17/58/933131758.db2.gz OBYPSRFXBVZWTG-XMSQKQJNSA-N 1 0 410.518 4.004 20 5 HIBDRO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000535432248 933131955 /nfs/dbraw/zinc/13/19/55/933131955.db2.gz OBYPSRFXBVZWTG-PGRDOPGGSA-N 1 0 410.518 4.004 20 5 HIBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000535669878 933315098 /nfs/dbraw/zinc/31/50/98/933315098.db2.gz DIAPGXWHHQUXEI-HNAYVOBHSA-N 1 0 405.857 4.119 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000535727046 933369120 /nfs/dbraw/zinc/36/91/20/933369120.db2.gz VQQAWFIYKQFTEZ-QGZVFWFLSA-N 1 0 407.923 4.393 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000535961273 933526223 /nfs/dbraw/zinc/52/62/23/933526223.db2.gz YCJCPMLXQVETLB-UHFFFAOYSA-N 1 0 403.486 4.362 20 5 HIBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000536097675 933650498 /nfs/dbraw/zinc/65/04/98/933650498.db2.gz FJFFQCNVUACVJK-UHFFFAOYSA-N 1 0 420.513 4.311 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000536100433 933653273 /nfs/dbraw/zinc/65/32/73/933653273.db2.gz WMKJRMKHJJEGFV-UHFFFAOYSA-N 1 0 411.502 4.155 20 5 HIBDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000537299185 933703697 /nfs/dbraw/zinc/70/36/97/933703697.db2.gz ACKIGIFHNYWYAH-KBPBESRZSA-N 1 0 405.882 4.245 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000537537447 938318144 /nfs/dbraw/zinc/31/81/44/938318144.db2.gz VVXMAMOARUNJCO-UHFFFAOYSA-N 1 0 410.392 4.063 20 5 HIBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618778 938335379 /nfs/dbraw/zinc/33/53/79/938335379.db2.gz KQIDHCUAWDDSHS-DYESRHJHSA-N 1 0 413.518 4.097 20 5 HIBDRO C[C@@H]1C[C@H](C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000537770770 938373414 /nfs/dbraw/zinc/37/34/14/938373414.db2.gz CDPZUVLHQWEGPD-SXGZJXTBSA-N 1 0 417.893 4.333 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000537963540 938436538 /nfs/dbraw/zinc/43/65/38/938436538.db2.gz NVVQCSJVGAJPCO-ZFWWWQNUSA-N 1 0 406.508 4.154 20 5 HIBDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537978818 938445508 /nfs/dbraw/zinc/44/55/08/938445508.db2.gz HWMLSUWYTMGLHN-ZDUSSCGKSA-N 1 0 406.280 4.345 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000538125867 938511609 /nfs/dbraw/zinc/51/16/09/938511609.db2.gz TZBSKNMSPTVMBQ-HNNXBMFYSA-N 1 0 401.463 4.070 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC(F)F ZINC000538151117 938522842 /nfs/dbraw/zinc/52/28/42/938522842.db2.gz JNQMHJWMWKTGKQ-IUODEOHRSA-N 1 0 423.416 4.273 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000538233624 938568189 /nfs/dbraw/zinc/56/81/89/938568189.db2.gz XKXXGUJOUVHZJX-ZHRRBRCNSA-N 1 0 402.454 4.113 20 5 HIBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[NH+](C)C)c1 ZINC000538250160 938574198 /nfs/dbraw/zinc/57/41/98/938574198.db2.gz ZPXWDZVOCKDLKY-LJQANCHMSA-N 1 0 417.531 4.137 20 5 HIBDRO O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000538259102 938576598 /nfs/dbraw/zinc/57/65/98/938576598.db2.gz YIQUSLBKKYKDJG-UHFFFAOYSA-N 1 0 419.403 4.172 20 5 HIBDRO Cn1cc(C[NH2+]Cc2cc(F)cc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538336410 938596638 /nfs/dbraw/zinc/59/66/38/938596638.db2.gz XSRUAHNTILXNJE-UHFFFAOYSA-N 1 0 419.254 4.187 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccco1 ZINC000538347092 938599735 /nfs/dbraw/zinc/59/97/35/938599735.db2.gz FEZUKGMLZWMCMI-SFHVURJKSA-N 1 0 408.458 4.063 20 5 HIBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538716930 938689174 /nfs/dbraw/zinc/68/91/74/938689174.db2.gz NZWIDNNCGFKLFV-FXAWDEMLSA-N 1 0 413.518 4.097 20 5 HIBDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000538725099 938692785 /nfs/dbraw/zinc/69/27/85/938692785.db2.gz VKMSQPHDDCIHSB-QGZVFWFLSA-N 1 0 408.502 4.315 20 5 HIBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538726468 938693202 /nfs/dbraw/zinc/69/32/02/938693202.db2.gz UDJOTCIMDSLKQF-HTAPYJJXSA-N 1 0 406.486 4.183 20 5 HIBDRO COc1cccc(NC2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000538729708 938694823 /nfs/dbraw/zinc/69/48/23/938694823.db2.gz MQEOIBJIJDTJQA-UHFFFAOYSA-N 1 0 421.501 4.080 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538791582 938712657 /nfs/dbraw/zinc/71/26/57/938712657.db2.gz FDYLUPSISYEXDO-CTNGQTDRSA-N 1 0 412.486 4.183 20 5 HIBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000539125987 938807180 /nfs/dbraw/zinc/80/71/80/938807180.db2.gz KZIHRWCVWLZQRQ-KZULUSFZSA-N 1 0 409.280 4.232 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1)CC(C)C ZINC000539137213 938809392 /nfs/dbraw/zinc/80/93/92/938809392.db2.gz HGCDILWOGPWYMW-UHFFFAOYSA-N 1 0 414.550 4.225 20 5 HIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)cc1 ZINC000539243412 938824573 /nfs/dbraw/zinc/82/45/73/938824573.db2.gz MAJINMRHCJFGEX-MRXNPFEDSA-N 1 0 422.279 4.045 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000539266416 938830194 /nfs/dbraw/zinc/83/01/94/938830194.db2.gz PCMQHOXHJNGUJE-ZDUSSCGKSA-N 1 0 411.380 4.215 20 5 HIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000539327794 938842532 /nfs/dbraw/zinc/84/25/32/938842532.db2.gz DUMLSCIUWLPBJM-CQSZACIVSA-N 1 0 401.438 4.202 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000539333791 938843435 /nfs/dbraw/zinc/84/34/35/938843435.db2.gz MSKUXKSOENPWLQ-UHFFFAOYSA-N 1 0 419.428 4.269 20 5 HIBDRO C[N@H+](CCc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1)C1CC1 ZINC000539334783 938843631 /nfs/dbraw/zinc/84/36/31/938843631.db2.gz KJBIOGGHHFXCTJ-UHFFFAOYSA-N 1 0 422.529 4.087 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000539339367 938844929 /nfs/dbraw/zinc/84/49/29/938844929.db2.gz UXRACLNYJRRAPQ-INIZCTEOSA-N 1 0 420.469 4.345 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nccn1Cc1ccccc1 ZINC000539350417 938846633 /nfs/dbraw/zinc/84/66/33/938846633.db2.gz YUPZTMIOLIHEJQ-UHFFFAOYSA-N 1 0 424.526 4.313 20 5 HIBDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000539378192 938851511 /nfs/dbraw/zinc/85/15/11/938851511.db2.gz YRGFDUGKOJIRBV-CYBMUJFWSA-N 1 0 406.280 4.263 20 5 HIBDRO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000539840926 938954694 /nfs/dbraw/zinc/95/46/94/938954694.db2.gz UDTWAOBLUYECHS-UHFFFAOYSA-N 1 0 409.442 4.151 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)ccc1Oc1ccccc1Cl ZINC000539978713 939028836 /nfs/dbraw/zinc/02/88/36/939028836.db2.gz VNZUWDHLVXHBPR-HRAATJIYSA-N 1 0 418.877 4.468 20 5 HIBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000540138789 939087354 /nfs/dbraw/zinc/08/73/54/939087354.db2.gz GSSFTYYQPLFMBK-ONGXBYRLSA-N 1 0 403.910 4.279 20 5 HIBDRO O=C(CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000540173803 939103918 /nfs/dbraw/zinc/10/39/18/939103918.db2.gz HGXIWLCCMCJTTQ-PGRDOPGGSA-N 1 0 407.514 4.218 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000540236801 939158239 /nfs/dbraw/zinc/15/82/39/939158239.db2.gz GSIJAMGHWIFLSI-UHFFFAOYSA-N 1 0 405.539 4.214 20 5 HIBDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000540244569 939164192 /nfs/dbraw/zinc/16/41/92/939164192.db2.gz AHYQUYPQRBUAIW-UHFFFAOYSA-N 1 0 408.502 4.293 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000540326718 939195916 /nfs/dbraw/zinc/19/59/16/939195916.db2.gz XRJHAJQOYDKQQG-HNNXBMFYSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000540423776 939243797 /nfs/dbraw/zinc/24/37/97/939243797.db2.gz GEKODAHDDNHHFN-ZIAGYGMSSA-N 1 0 401.438 4.201 20 5 HIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000540424892 939244033 /nfs/dbraw/zinc/24/40/33/939244033.db2.gz HOFPANNZPNRCJD-CQSZACIVSA-N 1 0 401.438 4.202 20 5 HIBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1C(F)(F)F ZINC000540445776 939252732 /nfs/dbraw/zinc/25/27/32/939252732.db2.gz IHSAWYALVXWFDV-LBPRGKRZSA-N 1 0 409.364 4.262 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC000540456622 939258722 /nfs/dbraw/zinc/25/87/22/939258722.db2.gz YKJHJGJVWGTGRQ-QGZVFWFLSA-N 1 0 410.392 4.022 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000540522794 939286893 /nfs/dbraw/zinc/28/68/93/939286893.db2.gz ALLWQXZNAQWCHA-UHFFFAOYSA-N 1 0 411.502 4.300 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000540577329 939309889 /nfs/dbraw/zinc/30/98/89/939309889.db2.gz QQHDIULTICDYMW-OICCZTGUSA-N 1 0 416.319 4.487 20 5 HIBDRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000540591942 939313584 /nfs/dbraw/zinc/31/35/84/939313584.db2.gz LSUMUGQIYQNNMF-LJQANCHMSA-N 1 0 418.291 4.345 20 5 HIBDRO O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540613795 939320329 /nfs/dbraw/zinc/32/03/29/939320329.db2.gz SWRLJINOLWNJIG-QQWLQNCRSA-N 1 0 415.493 4.125 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)C1CC1 ZINC000540755319 939360647 /nfs/dbraw/zinc/36/06/47/939360647.db2.gz PPYMSTBXKKGGNT-ZWKOTPCHSA-N 1 0 417.456 4.386 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1OC ZINC000541058308 939445019 /nfs/dbraw/zinc/44/50/19/939445019.db2.gz GNSUFWHQKBWLAH-OAHLLOKOSA-N 1 0 402.495 4.131 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000541424057 939512441 /nfs/dbraw/zinc/51/24/41/939512441.db2.gz XNPAKJUTYNDZSC-UHFFFAOYSA-N 1 0 421.950 4.497 20 5 HIBDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000541577051 939559107 /nfs/dbraw/zinc/55/91/07/939559107.db2.gz CNJVZDNNUSQKAG-UHFFFAOYSA-N 1 0 403.442 4.375 20 5 HIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541693680 939606926 /nfs/dbraw/zinc/60/69/26/939606926.db2.gz NQKUDPDYXFCFQD-HNNXBMFYSA-N 1 0 403.454 4.197 20 5 HIBDRO Cc1ccccc1-c1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000541761401 939623238 /nfs/dbraw/zinc/62/32/38/939623238.db2.gz SPKOFIIUBHYTFZ-UHFFFAOYSA-N 1 0 410.495 4.134 20 5 HIBDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542314955 939796988 /nfs/dbraw/zinc/79/69/88/939796988.db2.gz ZJJTUKMWRAXYLG-GOTSBHOMSA-N 1 0 412.486 4.230 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1 ZINC000542467994 939828070 /nfs/dbraw/zinc/82/80/70/939828070.db2.gz GFPVWPGPASFLJC-UHFFFAOYSA-N 1 0 414.815 4.421 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542531316 939838605 /nfs/dbraw/zinc/83/86/05/939838605.db2.gz IPVINXCEYFMVPL-OAHLLOKOSA-N 1 0 417.506 4.067 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000542555224 939842976 /nfs/dbraw/zinc/84/29/76/939842976.db2.gz BMBYNUYAVDYRBG-KRWDZBQOSA-N 1 0 419.481 4.352 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542633918 939850604 /nfs/dbraw/zinc/85/06/04/939850604.db2.gz ULLXFAPYZDLZNO-WIYYLYMNSA-N 1 0 415.465 4.223 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000542714267 939856006 /nfs/dbraw/zinc/85/60/06/939856006.db2.gz YGIAGIKDQUZVKM-LJQANCHMSA-N 1 0 416.453 4.091 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000542714986 939856196 /nfs/dbraw/zinc/85/61/96/939856196.db2.gz GJFAQXOJNRQSEG-QFIPXVFZSA-N 1 0 412.465 4.254 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000542863303 939864029 /nfs/dbraw/zinc/86/40/29/939864029.db2.gz KPXQSPMQUOQHQS-KRWDZBQOSA-N 1 0 409.408 4.182 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000542892024 939865864 /nfs/dbraw/zinc/86/58/64/939865864.db2.gz DAQWWZLWLLNKKX-CYBMUJFWSA-N 1 0 407.417 4.055 20 5 HIBDRO Cc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000543293617 940020592 /nfs/dbraw/zinc/02/05/92/940020592.db2.gz QSJSZBMSSSJRMT-UHFFFAOYSA-N 1 0 423.922 4.228 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000543428385 940061351 /nfs/dbraw/zinc/06/13/51/940061351.db2.gz BGRQQHLUYAVTFC-LJQANCHMSA-N 1 0 410.449 4.327 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000543453450 940067827 /nfs/dbraw/zinc/06/78/27/940067827.db2.gz OKEQCHKJBQPAKK-GOSISDBHSA-N 1 0 411.483 4.177 20 5 HIBDRO C[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543455836 940068260 /nfs/dbraw/zinc/06/82/60/940068260.db2.gz FCVQTORWWGUURV-JENIJYKNSA-N 1 0 413.493 4.254 20 5 HIBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000543498049 940085563 /nfs/dbraw/zinc/08/55/63/940085563.db2.gz SLVBSDWFYCBZKR-QLFBSQMISA-N 1 0 412.408 4.135 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000543579151 940117038 /nfs/dbraw/zinc/11/70/38/940117038.db2.gz PXAQRTVRUFTNSY-MRXNPFEDSA-N 1 0 415.465 4.341 20 5 HIBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000544457579 940439268 /nfs/dbraw/zinc/43/92/68/940439268.db2.gz ARCYEEFYNCLQAO-NSHDSACASA-N 1 0 405.398 4.198 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000544464614 940442246 /nfs/dbraw/zinc/44/22/46/940442246.db2.gz WRZXZQSYRIGSFG-QVKFZJNVSA-N 1 0 417.481 4.045 20 5 HIBDRO CCOC(=O)c1cc(-c2nc(-c3ccccc3C[NH+]3CCCC3)no2)cc([N+](=O)[O-])c1 ZINC000544906269 940523758 /nfs/dbraw/zinc/52/37/58/940523758.db2.gz OXDIEPDRSKPCGN-UHFFFAOYSA-N 1 0 422.441 4.084 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4ccccc4C[NH+]4CCCC4)no3)c2c1 ZINC000544907038 940523777 /nfs/dbraw/zinc/52/37/77/940523777.db2.gz QGOHYPLYAFIRCS-UHFFFAOYSA-N 1 0 403.442 4.313 20 5 HIBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccccc3C[NH+]3CCCC3)no2)n1 ZINC000544907257 940523931 /nfs/dbraw/zinc/52/39/31/940523931.db2.gz ASROLCUWZZSWDC-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO Cc1c(Cc2noc(-c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)n2)cccc1[N+](=O)[O-] ZINC000545781369 940588923 /nfs/dbraw/zinc/58/89/23/940588923.db2.gz QVKAIMNKIUAQAK-HZPDHXFCSA-N 1 0 422.485 4.153 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000545828721 940618915 /nfs/dbraw/zinc/61/89/15/940618915.db2.gz CQOGNZKXYABNIX-AUUYWEPGSA-N 1 0 419.522 4.272 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000545830280 940619246 /nfs/dbraw/zinc/61/92/46/940619246.db2.gz WDORIJKSRSGEFR-UHFFFAOYSA-N 1 0 405.514 4.171 20 5 HIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000546180959 940722345 /nfs/dbraw/zinc/72/23/45/940722345.db2.gz MRZCSMQVMSPVTK-RKDXNWHRSA-N 1 0 401.307 4.261 20 5 HIBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000546761232 940878513 /nfs/dbraw/zinc/87/85/13/940878513.db2.gz XPXBVMCRCFJFRW-JXFKEZNVSA-N 1 0 406.866 4.324 20 5 HIBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000547084899 940989229 /nfs/dbraw/zinc/98/92/29/940989229.db2.gz HKURZSKRCVPZBT-SFHVURJKSA-N 1 0 407.474 4.012 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000547088997 940991261 /nfs/dbraw/zinc/99/12/61/940991261.db2.gz GBISKEQZAFPSDC-AWEZNQCLSA-N 1 0 414.487 4.439 20 5 HIBDRO C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000549173449 941168312 /nfs/dbraw/zinc/16/83/12/941168312.db2.gz XBMUVXLWJIQRBG-HSZRJFAPSA-N 1 0 423.538 4.427 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2cnc(SC3CCCC3)nc2)c1 ZINC000549923711 941239571 /nfs/dbraw/zinc/23/95/71/941239571.db2.gz NBVJSKYDIBXVDD-UHFFFAOYSA-N 1 0 424.473 4.353 20 5 HIBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(CC(F)(F)F)CC1 ZINC000550713397 941357665 /nfs/dbraw/zinc/35/76/65/941357665.db2.gz DEGNGVOSJDNIJP-CYBMUJFWSA-N 1 0 412.412 4.002 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550906929 941380993 /nfs/dbraw/zinc/38/09/93/941380993.db2.gz CEHQJRVJOCOFFO-DLBZAZTESA-N 1 0 420.469 4.247 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000551211966 941428472 /nfs/dbraw/zinc/42/84/72/941428472.db2.gz OLMJRIACWRFATE-XEZPLFJOSA-N 1 0 405.296 4.209 20 5 HIBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000551788952 941545550 /nfs/dbraw/zinc/54/55/50/941545550.db2.gz JZVIZRACWNBGKJ-JKSUJKDBSA-N 1 0 407.392 4.478 20 5 HIBDRO Cn1ccnc1[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068042 941578502 /nfs/dbraw/zinc/57/85/02/941578502.db2.gz GLHCUOGRIVDVRT-ISKFKSNPSA-N 1 0 419.529 4.062 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553459701 941888866 /nfs/dbraw/zinc/88/88/66/941888866.db2.gz KGGXBHHZPWTGHX-JOCHJYFZSA-N 1 0 413.905 4.295 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553807365 941974048 /nfs/dbraw/zinc/97/40/48/941974048.db2.gz LJWNDUPBVOAQIX-IBGZPJMESA-N 1 0 424.545 4.211 20 5 HIBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000554170843 942055844 /nfs/dbraw/zinc/05/58/44/942055844.db2.gz DQHUSDYBWMYBDH-UHFFFAOYSA-N 1 0 402.520 4.056 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000554932427 942324213 /nfs/dbraw/zinc/32/42/13/942324213.db2.gz JDAVOUWAZFPOSD-UHFFFAOYSA-N 1 0 407.392 4.008 20 5 HIBDRO CC(C)N1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000555128794 942394926 /nfs/dbraw/zinc/39/49/26/942394926.db2.gz JDAFPQNZNZLLFN-WIYYLYMNSA-N 1 0 405.445 4.065 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(Cn4cncn4)cc3)o2)c(Cl)c1 ZINC000555198503 942428377 /nfs/dbraw/zinc/42/83/77/942428377.db2.gz QCBUWWWFQMSFHX-UHFFFAOYSA-N 1 0 423.860 4.438 20 5 HIBDRO C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000555313009 942472929 /nfs/dbraw/zinc/47/29/29/942472929.db2.gz YVKXODOMBJYTCH-CYFREDJKSA-N 1 0 407.514 4.213 20 5 HIBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000556151015 942811758 /nfs/dbraw/zinc/81/17/58/942811758.db2.gz DJUAHUWZQOYSSL-UHFFFAOYSA-N 1 0 421.419 4.350 20 5 HIBDRO Cc1ccc2c(CC[NH2+][C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)cn(C)c2c1 ZINC000556893004 942954493 /nfs/dbraw/zinc/95/44/93/942954493.db2.gz SLOMMTWCDMTWRV-QFIPXVFZSA-N 1 0 403.486 4.050 20 5 HIBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000557245873 943060465 /nfs/dbraw/zinc/06/04/65/943060465.db2.gz BYRXQZAXZLXGIF-QGZVFWFLSA-N 1 0 421.501 4.028 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000557279353 943066075 /nfs/dbraw/zinc/06/60/75/943066075.db2.gz FKJKUUAEFGUNKP-AWEZNQCLSA-N 1 0 420.307 4.045 20 5 HIBDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000558086371 943376501 /nfs/dbraw/zinc/37/65/01/943376501.db2.gz SKALTRIKSBQYTE-WZONZLPQSA-N 1 0 403.482 4.173 20 5 HIBDRO C[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000558562118 943599386 /nfs/dbraw/zinc/59/93/86/943599386.db2.gz HRMPZICLMVAUDS-HKUYNNGSSA-N 1 0 413.493 4.256 20 5 HIBDRO C[NH+]1CCC(N(Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2Br)CC1 ZINC000558571092 943602179 /nfs/dbraw/zinc/60/21/79/943602179.db2.gz GIYLDFFDIPQBMK-UHFFFAOYSA-N 1 0 418.335 4.454 20 5 HIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cn1cccn1 ZINC000558931912 943754325 /nfs/dbraw/zinc/75/43/25/943754325.db2.gz QXFGXRXJDHFHOO-CYBMUJFWSA-N 1 0 419.279 4.240 20 5 HIBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000560531010 944244855 /nfs/dbraw/zinc/24/48/55/944244855.db2.gz WEENZNPPYPMDNB-CEMLEFRQSA-N 1 0 406.486 4.175 20 5 HIBDRO 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 944251935 /nfs/dbraw/zinc/25/19/35/944251935.db2.gz NQBLRODCKCWFTN-MORSLUCNSA-N 1 0 414.449 4.230 20 5 HIBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000561283025 944539294 /nfs/dbraw/zinc/53/92/94/944539294.db2.gz NAOGVNCBJBSLQM-FUHWJXTLSA-N 1 0 411.527 4.445 20 5 HIBDRO CCc1ccc([C@@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000564258300 945476269 /nfs/dbraw/zinc/47/62/69/945476269.db2.gz UAYDQOVYTASIMD-UTKZUKDTSA-N 1 0 400.475 4.157 20 5 HIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000564258299 945476532 /nfs/dbraw/zinc/47/65/32/945476532.db2.gz UAYDQOVYTASIMD-LAUBAEHRSA-N 1 0 400.475 4.157 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000564422464 945574158 /nfs/dbraw/zinc/57/41/58/945574158.db2.gz AUKDMWFCFOIJRO-PMACEKPBSA-N 1 0 408.502 4.197 20 5 HIBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000564611379 945704903 /nfs/dbraw/zinc/70/49/03/945704903.db2.gz YUTSPHYIGPBNAC-QGZVFWFLSA-N 1 0 414.412 4.193 20 5 HIBDRO Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 ZINC000565331205 945812581 /nfs/dbraw/zinc/81/25/81/945812581.db2.gz GPNAWSHAMQBXPE-CYBMUJFWSA-N 1 0 413.865 4.260 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000565736551 945874541 /nfs/dbraw/zinc/87/45/41/945874541.db2.gz GLMZAFIKDTZWOV-UTKZUKDTSA-N 1 0 415.559 4.305 20 5 HIBDRO Cc1cc2cc(C[NH2+]Cc3cc(I)cc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000566943970 946181635 /nfs/dbraw/zinc/18/16/35/946181635.db2.gz QFUGJQDGTJNPOK-UHFFFAOYSA-N 1 0 421.238 4.279 20 5 HIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567429122 946336186 /nfs/dbraw/zinc/33/61/86/946336186.db2.gz WVDLFMXERFCYTJ-OAHLLOKOSA-N 1 0 416.909 4.132 20 5 HIBDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000567549535 946372830 /nfs/dbraw/zinc/37/28/30/946372830.db2.gz ZWXFJYXDJYWYQS-NRFANRHFSA-N 1 0 405.454 4.116 20 5 HIBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000568800599 946700671 /nfs/dbraw/zinc/70/06/71/946700671.db2.gz OFHILJMKWGVCGI-QHCPKHFHSA-N 1 0 414.502 4.167 20 5 HIBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000570947797 947394706 /nfs/dbraw/zinc/39/47/06/947394706.db2.gz QKSNCDHXOLZZQZ-UHFFFAOYSA-N 1 0 409.552 4.054 20 5 HIBDRO CCC1(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CCOCC1 ZINC000571190486 947537576 /nfs/dbraw/zinc/53/75/76/947537576.db2.gz KJLAOBGIQIJYAC-UHFFFAOYSA-N 1 0 414.502 4.479 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cc(C)nc(N4CCCC4)c3)o2)c([N+](=O)[O-])c1 ZINC000571451068 947652544 /nfs/dbraw/zinc/65/25/44/947652544.db2.gz AHAGSEHJELBDRX-UHFFFAOYSA-N 1 0 422.485 4.457 20 5 HIBDRO C[C@@H](C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000571901582 947808953 /nfs/dbraw/zinc/80/89/53/947808953.db2.gz IJIBRAGZSPXURS-ZDUSSCGKSA-N 1 0 406.280 4.031 20 5 HIBDRO Cc1ccc(-c2nc(CCN[C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000572066059 947837904 /nfs/dbraw/zinc/83/79/04/947837904.db2.gz YSCDZNKJIQFHSO-NRFANRHFSA-N 1 0 417.469 4.213 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)C3CCCC3)o2)c(Br)c1 ZINC000573491782 948217975 /nfs/dbraw/zinc/21/79/75/948217975.db2.gz HGCCWFXAAHBIOJ-QGZVFWFLSA-N 1 0 409.280 4.258 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000574544750 948467915 /nfs/dbraw/zinc/46/79/15/948467915.db2.gz BACVGUIJHJELHM-UGKGYDQZSA-N 1 0 424.545 4.079 20 5 HIBDRO C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574743585 948519825 /nfs/dbraw/zinc/51/98/25/948519825.db2.gz IHGKUAHJZNPIPO-QRWLVFNGSA-N 1 0 401.894 4.305 20 5 HIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC3 ZINC000574923714 948553543 /nfs/dbraw/zinc/55/35/43/948553543.db2.gz RMCHAKZCZULQOI-UZUQRXQVSA-N 1 0 415.497 4.355 20 5 HIBDRO [NH3+]CC1(F)CCN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC001164387534 718813690 /nfs/dbraw/zinc/81/36/90/718813690.db2.gz HRNDXGNZHQWNPS-UHFFFAOYSA-N 1 0 414.815 4.122 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]21 ZINC001165027448 721809675 /nfs/dbraw/zinc/80/96/75/721809675.db2.gz UTEAEBVKYFBFAA-MTNREXPMSA-N 1 0 417.513 4.275 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000436008679 861298246 /nfs/dbraw/zinc/29/82/46/861298246.db2.gz FWIZHVSCEKTYMV-WDEREUQCSA-N 1 0 412.309 4.405 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436124877 861410932 /nfs/dbraw/zinc/41/09/32/861410932.db2.gz AUDBGJZZLBDRSS-YLJYHZDGSA-N 1 0 411.505 4.247 20 5 HIBDRO C[C@H]1CCC[C@](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)([NH+](C)C)C1 ZINC000436151331 861451336 /nfs/dbraw/zinc/45/13/36/861451336.db2.gz LLHRNPKEWWXUHZ-OWJWWREXSA-N 1 0 409.505 4.061 20 5 HIBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000006992745 845232809 /nfs/dbraw/zinc/23/28/09/845232809.db2.gz KOAPBNHWINZFNY-UHFFFAOYSA-N 1 0 418.497 4.199 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436246834 861556400 /nfs/dbraw/zinc/55/64/00/861556400.db2.gz QXYIDZRIUMERJJ-ZACQAIPSSA-N 1 0 421.516 4.298 20 5 HIBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000014651445 845966986 /nfs/dbraw/zinc/96/69/86/845966986.db2.gz ZJNIMYKNPFOLQX-UHFFFAOYSA-N 1 0 415.881 4.192 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000023994723 846769355 /nfs/dbraw/zinc/76/93/55/846769355.db2.gz ZKIRNFARLOZFSD-NEPJUHHUSA-N 1 0 422.279 4.044 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000023994719 846769405 /nfs/dbraw/zinc/76/94/05/846769405.db2.gz ZKIRNFARLOZFSD-RYUDHWBXSA-N 1 0 422.279 4.044 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000025215321 846943028 /nfs/dbraw/zinc/94/30/28/846943028.db2.gz KOQJFNGAOZUTBQ-IAQYHMDHSA-N 1 0 421.906 4.411 20 5 HIBDRO C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349431 847131561 /nfs/dbraw/zinc/13/15/61/847131561.db2.gz FOTUJWPXNFSLAH-QFIPXVFZSA-N 1 0 409.511 4.384 20 5 HIBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000027334794 847285141 /nfs/dbraw/zinc/28/51/41/847285141.db2.gz VJOODHVRJRDAFS-NRFANRHFSA-N 1 0 420.469 4.498 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027605052 847326775 /nfs/dbraw/zinc/32/67/75/847326775.db2.gz SHDQZJLYXQUYOK-PBHICJAKSA-N 1 0 405.545 4.090 20 5 HIBDRO CC[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000029909769 847648259 /nfs/dbraw/zinc/64/82/59/847648259.db2.gz NAXHKGRLIPXNMR-APWZRJJASA-N 1 0 413.543 4.029 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000030449841 847716811 /nfs/dbraw/zinc/71/68/11/847716811.db2.gz GLSNWYHCHOLGDT-SFHVURJKSA-N 1 0 418.291 4.427 20 5 HIBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000030531828 847730562 /nfs/dbraw/zinc/73/05/62/847730562.db2.gz GJQIRRKLJIQIHL-XMSQKQJNSA-N 1 0 406.482 4.145 20 5 HIBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000041872117 848260778 /nfs/dbraw/zinc/26/07/78/848260778.db2.gz MHKQWDGYRVVJEN-UHFFFAOYSA-N 1 0 413.474 4.240 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000041894746 848263076 /nfs/dbraw/zinc/26/30/76/848263076.db2.gz VNCMHKZVIFLCGM-FQEVSTJZSA-N 1 0 403.866 4.326 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000042145871 848292833 /nfs/dbraw/zinc/29/28/33/848292833.db2.gz TWKYONDORCUVJG-KDOFPFPSSA-N 1 0 413.474 4.313 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000043302843 848406670 /nfs/dbraw/zinc/40/66/70/848406670.db2.gz CSIXARBAHHCQIG-VXGBXAGGSA-N 1 0 411.380 4.300 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052966039 849650284 /nfs/dbraw/zinc/65/02/84/849650284.db2.gz BBEXGARBJNTWFK-UHFFFAOYSA-N 1 0 412.877 4.124 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000056196555 850279892 /nfs/dbraw/zinc/27/98/92/850279892.db2.gz SGQQLSVJCWTBGV-OLZOCXBDSA-N 1 0 406.280 4.344 20 5 HIBDRO CCOc1c(Br)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000058092851 850764449 /nfs/dbraw/zinc/76/44/49/850764449.db2.gz NJMIDPPIJMVTGA-UHFFFAOYSA-N 1 0 409.280 4.097 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000058948755 850965565 /nfs/dbraw/zinc/96/55/65/850965565.db2.gz ZFOQMWJUVVISNM-INIZCTEOSA-N 1 0 413.543 4.479 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000059387280 851003059 /nfs/dbraw/zinc/00/30/59/851003059.db2.gz LBBOIXPMQYDDCO-QGZVFWFLSA-N 1 0 410.392 4.018 20 5 HIBDRO COc1ccc(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000059888549 851021989 /nfs/dbraw/zinc/02/19/89/851021989.db2.gz OTPOAGQZIRGWJW-UHFFFAOYSA-N 1 0 411.502 4.298 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000061307148 851344407 /nfs/dbraw/zinc/34/44/07/851344407.db2.gz SKJOTHZZIMQTER-UHFFFAOYSA-N 1 0 424.526 4.045 20 5 HIBDRO CC1CCN(c2ccc(C(=O)N(CC[NH+](C)C)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000063829524 851773301 /nfs/dbraw/zinc/77/33/01/851773301.db2.gz GTKDYUZYJWGFPF-UHFFFAOYSA-N 1 0 410.518 4.040 20 5 HIBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064916646 852020707 /nfs/dbraw/zinc/02/07/07/852020707.db2.gz FDYMHGMTCMZUNR-UHFFFAOYSA-N 1 0 404.536 4.158 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)C1 ZINC000071931705 852435468 /nfs/dbraw/zinc/43/54/68/852435468.db2.gz ULXCSYUQHLOGIM-QGZVFWFLSA-N 1 0 419.485 4.265 20 5 HIBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032466 852474496 /nfs/dbraw/zinc/47/44/96/852474496.db2.gz IOIXGUQQEGATMY-KXBFYZLASA-N 1 0 400.866 4.396 20 5 HIBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000111137228 853207922 /nfs/dbraw/zinc/20/79/22/853207922.db2.gz FWWANAXRLWKDSO-QGZVFWFLSA-N 1 0 416.909 4.027 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C[C@H](C)O1 ZINC000111193814 853219628 /nfs/dbraw/zinc/21/96/28/853219628.db2.gz YQZZIAXGUHNXQB-GASCZTMLSA-N 1 0 412.515 4.426 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000112658768 853237893 /nfs/dbraw/zinc/23/78/93/853237893.db2.gz FSWSSTYFFAUNTC-DLBZAZTESA-N 1 0 422.957 4.019 20 5 HIBDRO C[NH+]1CCC(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000116525738 853312920 /nfs/dbraw/zinc/31/29/20/853312920.db2.gz DKLIHLXJKWSOIT-UHFFFAOYSA-N 1 0 403.866 4.112 20 5 HIBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000437249868 862473396 /nfs/dbraw/zinc/47/33/96/862473396.db2.gz KZMIYHQQHBRLML-SAZUREKKSA-N 1 0 410.392 4.422 20 5 HIBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000215792202 853837753 /nfs/dbraw/zinc/83/77/53/853837753.db2.gz DLDOPUBCKVJGDQ-UHFFFAOYSA-N 1 0 422.510 4.066 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000217061064 853859388 /nfs/dbraw/zinc/85/93/88/853859388.db2.gz LSCFVDWPRRJNCH-IFXJQAMLSA-N 1 0 422.510 4.483 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccccn3)o2)c(Br)c1 ZINC000236568608 853899821 /nfs/dbraw/zinc/89/98/21/853899821.db2.gz GFRWPKINYJWEFL-UHFFFAOYSA-N 1 0 402.248 4.345 20 5 HIBDRO CO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000237093041 853963162 /nfs/dbraw/zinc/96/31/62/853963162.db2.gz FQUAYPCKONRSNN-IBGZPJMESA-N 1 0 400.866 4.126 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237197401 853979605 /nfs/dbraw/zinc/97/96/05/853979605.db2.gz XKVIBEQNFBFXRZ-UHFFFAOYSA-N 1 0 420.334 4.155 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237194466 853979620 /nfs/dbraw/zinc/97/96/20/853979620.db2.gz VAXKKGYQLMJCOH-OLZOCXBDSA-N 1 0 408.442 4.308 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCC[C@@H]1C ZINC000237485115 854043511 /nfs/dbraw/zinc/04/35/11/854043511.db2.gz DJLRWXDSVGMZAV-KBPBESRZSA-N 1 0 405.882 4.387 20 5 HIBDRO C[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@@H+]1Cc1ccccc1 ZINC000237495711 854045360 /nfs/dbraw/zinc/04/53/60/854045360.db2.gz TXZMYTNWWQTPTO-APWZRJJASA-N 1 0 408.527 4.471 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]Cc3ccc(C(N)=O)cc3)cc2[N+](=O)[O-])cc1 ZINC000237873167 854112646 /nfs/dbraw/zinc/11/26/46/854112646.db2.gz CTLPVTUKDLGEJH-UHFFFAOYSA-N 1 0 407.495 4.443 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)ccc1Oc1ccc(F)cc1 ZINC000237883762 854114853 /nfs/dbraw/zinc/11/48/53/854114853.db2.gz RNBHQDZUQWKNRO-OAHLLOKOSA-N 1 0 413.371 4.252 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)s2)cc1 ZINC000238003151 854131603 /nfs/dbraw/zinc/13/16/03/854131603.db2.gz QYFFQPUCRDMUGA-QFIPXVFZSA-N 1 0 423.538 4.486 20 5 HIBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000301294383 854350387 /nfs/dbraw/zinc/35/03/87/854350387.db2.gz QVEAQZGRULPKGA-YOEHRIQHSA-N 1 0 411.428 4.151 20 5 HIBDRO Cc1ccnc(N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC000301304107 854352417 /nfs/dbraw/zinc/35/24/17/854352417.db2.gz SWRZQHLARLSCCB-UHFFFAOYSA-N 1 0 408.424 4.418 20 5 HIBDRO CC1CC[NH+]([C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c2ccccc2)CC1 ZINC000301346970 854366692 /nfs/dbraw/zinc/36/66/92/854366692.db2.gz HRNCJRRJAHAKGF-JOCHJYFZSA-N 1 0 424.501 4.437 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000301478265 854404579 /nfs/dbraw/zinc/40/45/79/854404579.db2.gz USBJUVXGJAKLQJ-UHFFFAOYSA-N 1 0 409.408 4.182 20 5 HIBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000301507204 854409578 /nfs/dbraw/zinc/40/95/78/854409578.db2.gz AAYVFUFCZKJLOS-WIYYLYMNSA-N 1 0 422.529 4.296 20 5 HIBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(Br)c1 ZINC000301558028 854420033 /nfs/dbraw/zinc/42/00/33/854420033.db2.gz SUQAUIFZZYOOJG-LBPRGKRZSA-N 1 0 411.325 4.138 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301692940 854446280 /nfs/dbraw/zinc/44/62/80/854446280.db2.gz ONGCPZCMBLWIRG-XHDPSFHLSA-N 1 0 411.325 4.309 20 5 HIBDRO C[NH+]1CCN(C[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000301813029 854469150 /nfs/dbraw/zinc/46/91/50/854469150.db2.gz FMGGQFHYUAZSNQ-SFHVURJKSA-N 1 0 408.424 4.014 20 5 HIBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000301824930 854471744 /nfs/dbraw/zinc/47/17/44/854471744.db2.gz LZKQNCJTPMPIQM-LLVKDONJSA-N 1 0 415.441 4.404 20 5 HIBDRO O=[N+]([O-])c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)nc1-c1ccccc1 ZINC000301873504 854481647 /nfs/dbraw/zinc/48/16/47/854481647.db2.gz QRSDSKOBPIIOCX-UHFFFAOYSA-N 1 0 422.514 4.201 20 5 HIBDRO Cc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302144089 854536739 /nfs/dbraw/zinc/53/67/39/854536739.db2.gz GFWUPVBBGIOAJD-UHFFFAOYSA-N 1 0 410.861 4.067 20 5 HIBDRO Cc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000302191830 854547300 /nfs/dbraw/zinc/54/73/00/854547300.db2.gz RFOMWFZMNWPTSJ-UHFFFAOYSA-N 1 0 410.499 4.220 20 5 HIBDRO Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302202171 854548688 /nfs/dbraw/zinc/54/86/88/854548688.db2.gz VTIPTUKNBDKUTM-HZPDHXFCSA-N 1 0 407.474 4.072 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000302890940 854668434 /nfs/dbraw/zinc/66/84/34/854668434.db2.gz FHEHFXDSJNFKAM-UHFFFAOYSA-N 1 0 422.407 4.353 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000303325468 854872886 /nfs/dbraw/zinc/87/28/86/854872886.db2.gz ATZGVGLUUZFCAR-ZDUSSCGKSA-N 1 0 422.432 4.447 20 5 HIBDRO Cc1c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000303427885 854929215 /nfs/dbraw/zinc/92/92/15/854929215.db2.gz FAOHLQKHANGNEI-UHFFFAOYSA-N 1 0 401.894 4.295 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)CC(C)C ZINC000303604743 855073626 /nfs/dbraw/zinc/07/36/26/855073626.db2.gz QKHNIYFPKSNCDT-LJQANCHMSA-N 1 0 407.558 4.027 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000303630727 855089490 /nfs/dbraw/zinc/08/94/90/855089490.db2.gz FMIXOYAIQDCJHY-GOSISDBHSA-N 1 0 422.529 4.150 20 5 HIBDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000303671049 855122068 /nfs/dbraw/zinc/12/20/68/855122068.db2.gz YRAYQGXBBXZNRY-LJQANCHMSA-N 1 0 413.474 4.086 20 5 HIBDRO C[C@H]1C[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000303747775 855170203 /nfs/dbraw/zinc/17/02/03/855170203.db2.gz KOCBSNDTVZFVPN-FXAWDEMLSA-N 1 0 421.501 4.130 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000410335299 855935268 /nfs/dbraw/zinc/93/52/68/855935268.db2.gz OOZVWPVQCUVBSL-UHFFFAOYSA-N 1 0 412.490 4.157 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410358499 855948435 /nfs/dbraw/zinc/94/84/35/855948435.db2.gz JAZCFHYEAGTSKQ-INIZCTEOSA-N 1 0 412.490 4.157 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426270645 856212514 /nfs/dbraw/zinc/21/25/14/856212514.db2.gz YECLPMVFHBBWDG-UHFFFAOYSA-N 1 0 408.502 4.065 20 5 HIBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426511716 856327845 /nfs/dbraw/zinc/32/78/45/856327845.db2.gz UGAWRWSLRXFPKN-HXUWFJFHSA-N 1 0 414.893 4.468 20 5 HIBDRO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437496954 862853679 /nfs/dbraw/zinc/85/36/79/862853679.db2.gz YXFYMEAGBVAICE-LJQANCHMSA-N 1 0 411.477 4.137 20 5 HIBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000427907178 857001592 /nfs/dbraw/zinc/00/15/92/857001592.db2.gz VFRWYRWHFRTFRB-UHFFFAOYSA-N 1 0 420.469 4.146 20 5 HIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CCCC[C@H]1O ZINC000428471945 857212317 /nfs/dbraw/zinc/21/23/17/857212317.db2.gz ZSNRRGFTWRRPHO-IAGOWNOFSA-N 1 0 409.280 4.353 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428556240 857264942 /nfs/dbraw/zinc/26/49/42/857264942.db2.gz CGVAPCNEFBPGPO-LJQANCHMSA-N 1 0 420.465 4.145 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000428919160 857414349 /nfs/dbraw/zinc/41/43/49/857414349.db2.gz DSNKZUNKYVJFBB-LVCYWYKZSA-N 1 0 410.518 4.317 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000429148753 857532356 /nfs/dbraw/zinc/53/23/56/857532356.db2.gz FBYNKUOWEKVATL-DYZYQPBXSA-N 1 0 414.430 4.058 20 5 HIBDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000429227083 857563967 /nfs/dbraw/zinc/56/39/67/857563967.db2.gz CRVJWRIFFZSMFA-MRXNPFEDSA-N 1 0 410.449 4.142 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000429459132 857680949 /nfs/dbraw/zinc/68/09/49/857680949.db2.gz XMTQIYLHQOBSFJ-DOTOQJQBSA-N 1 0 421.335 4.119 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000429973814 857978449 /nfs/dbraw/zinc/97/84/49/857978449.db2.gz WSMCXOHBRMVKNH-SFHVURJKSA-N 1 0 420.307 4.170 20 5 HIBDRO NC(=O)c1ccc(CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C2CC2)c(F)c1 ZINC000430083136 858023769 /nfs/dbraw/zinc/02/37/69/858023769.db2.gz GPAYSKRVGUVBGD-UHFFFAOYSA-N 1 0 409.417 4.257 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000430234745 858092069 /nfs/dbraw/zinc/09/20/69/858092069.db2.gz BSOGULOEFBFCLH-UHFFFAOYSA-N 1 0 421.291 4.161 20 5 HIBDRO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430823557 858318190 /nfs/dbraw/zinc/31/81/90/858318190.db2.gz ODIMGCHELQXKAE-DYESRHJHSA-N 1 0 421.501 4.130 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431071761 858434471 /nfs/dbraw/zinc/43/44/71/858434471.db2.gz BUXRNXOULCYAIF-ZBFHGGJFSA-N 1 0 402.882 4.423 20 5 HIBDRO CCc1ccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[NH+](C)C)cc1 ZINC000437703704 863038166 /nfs/dbraw/zinc/03/81/66/863038166.db2.gz QGGVRKVQZSMREO-QFIPXVFZSA-N 1 0 410.518 4.134 20 5 HIBDRO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CCCO1 ZINC000467554088 881376558 /nfs/dbraw/zinc/37/65/58/881376558.db2.gz NVYXZWFGBCEKPW-FQEVSTJZSA-N 1 0 400.475 4.183 20 5 HIBDRO C[C@@H]1C[N@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000432361998 859121657 /nfs/dbraw/zinc/12/16/57/859121657.db2.gz GPOHXLPYSZJSRK-OAHLLOKOSA-N 1 0 407.898 4.099 20 5 HIBDRO CSC1(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000432514564 859203822 /nfs/dbraw/zinc/20/38/22/859203822.db2.gz MQJDHTQRNYHCRM-QGZVFWFLSA-N 1 0 405.907 4.413 20 5 HIBDRO Cc1nc(CN2CCC(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CC2)oc1C ZINC000433176381 859555308 /nfs/dbraw/zinc/55/53/08/859555308.db2.gz OQOTXWSMAWWFAR-NRFANRHFSA-N 1 0 412.534 4.424 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433288408 859619548 /nfs/dbraw/zinc/61/95/48/859619548.db2.gz NQAIBKJKRSKUBH-OAQYLSRUSA-N 1 0 414.550 4.414 20 5 HIBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)CC1 ZINC000433554037 859772967 /nfs/dbraw/zinc/77/29/67/859772967.db2.gz IMHLWJRBKOPNPQ-UHFFFAOYSA-N 1 0 416.569 4.019 20 5 HIBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000434305140 860267718 /nfs/dbraw/zinc/26/77/18/860267718.db2.gz BJZFYSUKCSVIES-HXUWFJFHSA-N 1 0 419.485 4.107 20 5 HIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCN(c2cnccn2)CC1 ZINC000435055662 860617636 /nfs/dbraw/zinc/61/76/36/860617636.db2.gz CSBJBZFLBKMDJH-UHFFFAOYSA-N 1 0 409.515 4.214 20 5 HIBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000435326458 860737094 /nfs/dbraw/zinc/73/70/94/860737094.db2.gz DAFRZTKHTGJLBR-BXUZGUMPSA-N 1 0 413.316 4.002 20 5 HIBDRO Cc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(OCC[NH+](C)C)c1 ZINC000437764522 863084888 /nfs/dbraw/zinc/08/48/88/863084888.db2.gz ZLPDWAOPMWLHJR-UHFFFAOYSA-N 1 0 412.490 4.040 20 5 HIBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000438560101 863993628 /nfs/dbraw/zinc/99/36/28/863993628.db2.gz DFPFRICLNCNQEM-ROUUACIJSA-N 1 0 424.545 4.434 20 5 HIBDRO Cc1c(CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000438998906 864455202 /nfs/dbraw/zinc/45/52/02/864455202.db2.gz UOCQRQHZCQLEOU-UHFFFAOYSA-N 1 0 415.921 4.128 20 5 HIBDRO CC[C@@](C)(O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000439254800 864672394 /nfs/dbraw/zinc/67/23/94/864672394.db2.gz DWKPUPGQNLDVBG-HSZRJFAPSA-N 1 0 409.486 4.456 20 5 HIBDRO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000439559149 864884740 /nfs/dbraw/zinc/88/47/40/864884740.db2.gz BPNFUNRQRPMWMZ-STQMWFEESA-N 1 0 419.503 4.073 20 5 HIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817282 865134379 /nfs/dbraw/zinc/13/43/79/865134379.db2.gz AWYXEQCLVFGZNZ-CVEARBPZSA-N 1 0 400.454 4.329 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000439867961 865175151 /nfs/dbraw/zinc/17/51/51/865175151.db2.gz VIOQPWUUQFSWDQ-UHFFFAOYSA-N 1 0 404.511 4.113 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000439911734 865219926 /nfs/dbraw/zinc/21/99/26/865219926.db2.gz JHWOEGSTZWAQDJ-HNNXBMFYSA-N 1 0 418.519 4.089 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295489 866370652 /nfs/dbraw/zinc/37/06/52/866370652.db2.gz KQKJDMRWQXMKIQ-JTAQYXEDSA-N 1 0 423.513 4.332 20 5 HIBDRO COc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073743 867811857 /nfs/dbraw/zinc/81/18/57/867811857.db2.gz WRPQCPSOYGPNCS-UZLBHIALSA-N 1 0 400.475 4.182 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443946466 868482007 /nfs/dbraw/zinc/48/20/07/868482007.db2.gz MKPCUJWFXNVZKE-IBGZPJMESA-N 1 0 411.506 4.125 20 5 HIBDRO COc1cccc([C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[NH+]2CCCC2)c1 ZINC000443946307 868482340 /nfs/dbraw/zinc/48/23/40/868482340.db2.gz LPTSMZDEBAFWSO-HXUWFJFHSA-N 1 0 412.490 4.179 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000443962857 868496138 /nfs/dbraw/zinc/49/61/38/868496138.db2.gz LPPKKWQPCNEGBV-UHFFFAOYSA-N 1 0 400.454 4.137 20 5 HIBDRO CCOC1CC(O)(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000444009885 868531829 /nfs/dbraw/zinc/53/18/29/868531829.db2.gz NHYLWLHDCCMGBP-UHFFFAOYSA-N 1 0 406.866 4.060 20 5 HIBDRO COc1cccc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000444031716 868564754 /nfs/dbraw/zinc/56/47/54/868564754.db2.gz ATYZSNKUOIITOG-IRXDYDNUSA-N 1 0 411.502 4.011 20 5 HIBDRO C[C@H](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+](C)Cc1ccccc1 ZINC000444108947 868622582 /nfs/dbraw/zinc/62/25/82/868622582.db2.gz KTBWQNOTRRZRRM-GOSISDBHSA-N 1 0 413.521 4.322 20 5 HIBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444236805 868685827 /nfs/dbraw/zinc/68/58/27/868685827.db2.gz HNQKEQTWICXPQO-UHFFFAOYSA-N 1 0 413.521 4.322 20 5 HIBDRO C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444301612 868732399 /nfs/dbraw/zinc/73/23/99/868732399.db2.gz FZIDNVWEPYITGA-HOTGVXAUSA-N 1 0 421.516 4.203 20 5 HIBDRO C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444301613 868733141 /nfs/dbraw/zinc/73/31/41/868733141.db2.gz FZIDNVWEPYITGA-HZPDHXFCSA-N 1 0 421.516 4.203 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000444760269 868989295 /nfs/dbraw/zinc/98/92/95/868989295.db2.gz JQTRYXWUQJAFJM-NSHDSACASA-N 1 0 412.309 4.407 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000444895224 869083067 /nfs/dbraw/zinc/08/30/67/869083067.db2.gz KAVZBRBWXHHHFS-AEFFLSMTSA-N 1 0 412.490 4.120 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000444903311 869091462 /nfs/dbraw/zinc/09/14/62/869091462.db2.gz XSEKTGKAYOHQLA-NQIIRXRSSA-N 1 0 424.501 4.122 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[N@@H+]1Cc1ccccc1 ZINC000444990850 869148283 /nfs/dbraw/zinc/14/82/83/869148283.db2.gz JQJBOVLBLYISRC-HKUYNNGSSA-N 1 0 411.505 4.074 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1OC1CCCC1 ZINC000447527234 871391465 /nfs/dbraw/zinc/39/14/65/871391465.db2.gz DIFQIQQWVNKUBD-RTBURBONSA-N 1 0 414.506 4.395 20 5 HIBDRO CCc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000447549175 871423595 /nfs/dbraw/zinc/42/35/95/871423595.db2.gz DCGWPMIDAPDXGE-JPYJTQIMSA-N 1 0 423.517 4.140 20 5 HIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000447556624 871443580 /nfs/dbraw/zinc/44/35/80/871443580.db2.gz IOAUVMSKIUMEQJ-LBPRGKRZSA-N 1 0 416.421 4.176 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)CCC2 ZINC000447561628 871453984 /nfs/dbraw/zinc/45/39/84/871453984.db2.gz IUKXVHKCGICLOL-VQIMIIECSA-N 1 0 410.392 4.021 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000447670201 871599394 /nfs/dbraw/zinc/59/93/94/871599394.db2.gz ITKHZDZEKUQIEI-AAEUAGOBSA-N 1 0 420.382 4.097 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3-c3ccc(Cn4ccnc4)cc3)nc2c1 ZINC000447690063 871623679 /nfs/dbraw/zinc/62/36/79/871623679.db2.gz AVIFJELWJPBQTH-UHFFFAOYSA-N 1 0 424.464 4.417 20 5 HIBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cccc21 ZINC000447733576 871682983 /nfs/dbraw/zinc/68/29/83/871682983.db2.gz ZPSRFJSCEDFDBQ-HNNXBMFYSA-N 1 0 409.364 4.251 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448312988 872247012 /nfs/dbraw/zinc/24/70/12/872247012.db2.gz YMRJFUOYOMJXCA-HNNXBMFYSA-N 1 0 421.419 4.350 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448450636 872396091 /nfs/dbraw/zinc/39/60/91/872396091.db2.gz VKUCVRAISDJMCE-VGSWGCGISA-N 1 0 421.497 4.476 20 5 HIBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000461265697 874275186 /nfs/dbraw/zinc/27/51/86/874275186.db2.gz SGCFABRFVWHSIJ-FQEVSTJZSA-N 1 0 410.518 4.153 20 5 HIBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000468692790 882816645 /nfs/dbraw/zinc/81/66/45/882816645.db2.gz GBADELXMWKXQFD-FQEVSTJZSA-N 1 0 414.502 4.431 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438636 874490586 /nfs/dbraw/zinc/49/05/86/874490586.db2.gz YZBPPYCKGFFJDA-DNVJHFABSA-N 1 0 421.541 4.144 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461438639 874490862 /nfs/dbraw/zinc/49/08/62/874490862.db2.gz YZBPPYCKGFFJDA-ZLNRFVROSA-N 1 0 421.541 4.144 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000462863023 875895238 /nfs/dbraw/zinc/89/52/38/875895238.db2.gz XYHJFSFIPHQHEE-AWEZNQCLSA-N 1 0 412.820 4.490 20 5 HIBDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000462879278 875907393 /nfs/dbraw/zinc/90/73/93/875907393.db2.gz XDUDHEBPVVBVFN-UHFFFAOYSA-N 1 0 420.469 4.317 20 5 HIBDRO CO[C@](C)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000462914925 875941344 /nfs/dbraw/zinc/94/13/44/875941344.db2.gz RYCDSABMYYGZDW-HSZRJFAPSA-N 1 0 406.486 4.352 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000462934798 875961229 /nfs/dbraw/zinc/96/12/29/875961229.db2.gz DOFFVTQDLHHXRY-HXUWFJFHSA-N 1 0 409.530 4.253 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000462998588 876012776 /nfs/dbraw/zinc/01/27/76/876012776.db2.gz WBTVYUVXMCTSHS-QHCPKHFHSA-N 1 0 423.557 4.331 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000463060679 876090223 /nfs/dbraw/zinc/09/02/23/876090223.db2.gz AJONMGBFYASQER-FUHWJXTLSA-N 1 0 422.428 4.257 20 5 HIBDRO Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000463084386 876116373 /nfs/dbraw/zinc/11/63/73/876116373.db2.gz ABYNGGLRFAMGIB-GOSISDBHSA-N 1 0 408.506 4.005 20 5 HIBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000463190276 876248194 /nfs/dbraw/zinc/24/81/94/876248194.db2.gz MCTQDGOZPVDBPJ-UHFFFAOYSA-N 1 0 413.440 4.342 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463441111 876499286 /nfs/dbraw/zinc/49/92/86/876499286.db2.gz HXPFRIKWYZJFHJ-HXOBKFHXSA-N 1 0 422.485 4.023 20 5 HIBDRO COc1cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c([N+](=O)[O-])cc1F ZINC000464503603 877726688 /nfs/dbraw/zinc/72/66/88/877726688.db2.gz XFPCAUNUHRZTGA-UHFFFAOYSA-N 1 0 402.422 4.073 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000464671199 877890504 /nfs/dbraw/zinc/89/05/04/877890504.db2.gz SMZQMDQQNKLHBC-IBGZPJMESA-N 1 0 410.518 4.011 20 5 HIBDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738692 877973581 /nfs/dbraw/zinc/97/35/81/877973581.db2.gz SZJNSCXXFKFKCG-LSDHHAIUSA-N 1 0 401.429 4.169 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464845244 878117648 /nfs/dbraw/zinc/11/76/48/878117648.db2.gz LWNHUXKSEGFCSK-ROUUACIJSA-N 1 0 421.501 4.302 20 5 HIBDRO CC(C)(CCc1ccccc1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464883048 878178110 /nfs/dbraw/zinc/17/81/10/878178110.db2.gz MKXDVYXBVDCWIL-UHFFFAOYSA-N 1 0 420.307 4.297 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000465190090 878583850 /nfs/dbraw/zinc/58/38/50/878583850.db2.gz GSVLVMUTNYKBAU-OAHLLOKOSA-N 1 0 417.893 4.150 20 5 HIBDRO CO[C@@H](C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(C)C ZINC000465406922 878841568 /nfs/dbraw/zinc/84/15/68/878841568.db2.gz OJJIORYHFIPJRN-RBUKOAKNSA-N 1 0 405.882 4.189 20 5 HIBDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000465634915 879148655 /nfs/dbraw/zinc/14/86/55/879148655.db2.gz NPCRYNKJUJTTIU-QOKNQOGYSA-N 1 0 402.520 4.100 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)co2)cc1 ZINC000503430436 912428078 /nfs/dbraw/zinc/42/80/78/912428078.db2.gz CSRVLBBPZIATKF-QGZVFWFLSA-N 1 0 407.474 4.162 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1F ZINC000466206665 879897834 /nfs/dbraw/zinc/89/78/34/879897834.db2.gz WUXIRRGZIPNCAX-LBPRGKRZSA-N 1 0 403.385 4.402 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000503495227 912542619 /nfs/dbraw/zinc/54/26/19/912542619.db2.gz UKHUVIJMOLZOOM-KRWDZBQOSA-N 1 0 401.850 4.383 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000466571221 880347228 /nfs/dbraw/zinc/34/72/28/880347228.db2.gz BSTGRWXZUOISRR-KRWDZBQOSA-N 1 0 410.927 4.192 20 5 HIBDRO C[NH+]1CCC(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000467122318 880877650 /nfs/dbraw/zinc/87/76/50/880877650.db2.gz LZVNRDQFXDODEK-UHFFFAOYSA-N 1 0 419.934 4.471 20 5 HIBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320742 881068279 /nfs/dbraw/zinc/06/82/79/881068279.db2.gz DMKJMJWEVUJPAR-PGRDOPGGSA-N 1 0 411.502 4.332 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000467451359 881255566 /nfs/dbraw/zinc/25/55/66/881255566.db2.gz UDTYZXFKWOWNHQ-QAPCUYQASA-N 1 0 416.909 4.101 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000469493002 883732264 /nfs/dbraw/zinc/73/22/64/883732264.db2.gz AAEFXVYYYVNUOG-UHFFFAOYSA-N 1 0 401.532 4.129 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000469993664 884207731 /nfs/dbraw/zinc/20/77/31/884207731.db2.gz UCSNXZFRMXICGU-UHFFFAOYSA-N 1 0 411.380 4.262 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000470107474 884365579 /nfs/dbraw/zinc/36/55/79/884365579.db2.gz ZFEHBQOVUPAAAP-UHFFFAOYSA-N 1 0 407.474 4.089 20 5 HIBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000470122464 884384394 /nfs/dbraw/zinc/38/43/94/884384394.db2.gz MJZPCAUTUDYUFF-LAUBAEHRSA-N 1 0 412.465 4.252 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000470123041 884385019 /nfs/dbraw/zinc/38/50/19/884385019.db2.gz VUPJLCQHTYGFTD-UHFFFAOYSA-N 1 0 406.280 4.451 20 5 HIBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000470217852 884546389 /nfs/dbraw/zinc/54/63/89/884546389.db2.gz BBWWAJUAHABJGT-FQEVSTJZSA-N 1 0 422.529 4.011 20 5 HIBDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470521010 884911959 /nfs/dbraw/zinc/91/19/59/884911959.db2.gz SNJUQIQDYWENKK-UHFFFAOYSA-N 1 0 423.469 4.086 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000470635878 885061036 /nfs/dbraw/zinc/06/10/36/885061036.db2.gz VIYCCUAGGMMCBC-UHFFFAOYSA-N 1 0 400.504 4.122 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000470979575 885481113 /nfs/dbraw/zinc/48/11/13/885481113.db2.gz LOJPGVILMOBLKS-HKUYNNGSSA-N 1 0 411.502 4.119 20 5 HIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169036 885725250 /nfs/dbraw/zinc/72/52/50/885725250.db2.gz MNIVAOPLQSGNKW-OAQYLSRUSA-N 1 0 406.486 4.393 20 5 HIBDRO CCc1ccc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000471218341 885791918 /nfs/dbraw/zinc/79/19/18/885791918.db2.gz BQTMKZKDJWQVIE-UHFFFAOYSA-N 1 0 410.518 4.188 20 5 HIBDRO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000471547775 886256826 /nfs/dbraw/zinc/25/68/26/886256826.db2.gz OEANJURMXMKRSO-BFUOFWGJSA-N 1 0 407.923 4.148 20 5 HIBDRO COc1cc(C[NH2+][C@@H](CO)c2ccsc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472036462 886856299 /nfs/dbraw/zinc/85/62/99/886856299.db2.gz DYKUEJAWMSGWNZ-IBGZPJMESA-N 1 0 414.483 4.067 20 5 HIBDRO COc1ccccc1[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000472080550 886881619 /nfs/dbraw/zinc/88/16/19/886881619.db2.gz QFTQNKHBJVLAMA-JOCHJYFZSA-N 1 0 424.501 4.260 20 5 HIBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000473071438 887890399 /nfs/dbraw/zinc/89/03/99/887890399.db2.gz HYTXBZZYTUBJDR-UHFFFAOYSA-N 1 0 423.263 4.050 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)o2)c([N+](=O)[O-])c1 ZINC000473115474 887912716 /nfs/dbraw/zinc/91/27/16/887912716.db2.gz BJQQGMZDBWNGCM-HSZRJFAPSA-N 1 0 406.438 4.495 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000473269200 888027644 /nfs/dbraw/zinc/02/76/44/888027644.db2.gz AGIUBSOZUCRRLR-HROJSSOGSA-N 1 0 424.545 4.060 20 5 HIBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473499691 888224551 /nfs/dbraw/zinc/22/45/51/888224551.db2.gz ZFAZFNHFFDBVGO-QFIPXVFZSA-N 1 0 413.905 4.377 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCCn2cc(Br)cn2)o1 ZINC000475214277 890083762 /nfs/dbraw/zinc/08/37/62/890083762.db2.gz PRHOGQKBXQKPHM-UHFFFAOYSA-N 1 0 419.279 4.384 20 5 HIBDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 ZINC000475216486 890084451 /nfs/dbraw/zinc/08/44/51/890084451.db2.gz JHDKFBGTJRAWQR-UHFFFAOYSA-N 1 0 422.553 4.468 20 5 HIBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000475446967 890364291 /nfs/dbraw/zinc/36/42/91/890364291.db2.gz SFPZNOCYYNNJEQ-QGZVFWFLSA-N 1 0 417.893 4.389 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475550114 890475560 /nfs/dbraw/zinc/47/55/60/890475560.db2.gz GOIUWXYPVKGSNT-IBGZPJMESA-N 1 0 411.506 4.125 20 5 HIBDRO COC(=O)COc1ccc(C[N@H+](C)C2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] ZINC000475715793 890653275 /nfs/dbraw/zinc/65/32/75/890653275.db2.gz NUWKCWXKIHJYMG-UHFFFAOYSA-N 1 0 418.449 4.348 20 5 HIBDRO CCC1(CNC(=O)c2cccc([N+](=O)[O-])c2OC)CC[NH+](Cc2ccccc2)CC1 ZINC000476457177 891369143 /nfs/dbraw/zinc/36/91/43/891369143.db2.gz HCZVFKHQYITWNC-UHFFFAOYSA-N 1 0 411.502 4.026 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477071183 892004577 /nfs/dbraw/zinc/00/45/77/892004577.db2.gz VGKDAGJBVHDFDB-UHFFFAOYSA-N 1 0 421.453 4.250 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000504893219 913622768 /nfs/dbraw/zinc/62/27/68/913622768.db2.gz CYXYNKQKESAAKE-ZIAGYGMSSA-N 1 0 404.463 4.431 20 5 HIBDRO CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl ZINC000478052394 893204149 /nfs/dbraw/zinc/20/41/49/893204149.db2.gz FXORFJSNUYKOIO-UHFFFAOYSA-N 1 0 412.671 4.325 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000478300823 893518954 /nfs/dbraw/zinc/51/89/54/893518954.db2.gz UXCXZHQTNACJFN-CQSZACIVSA-N 1 0 418.444 4.298 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000478401437 893684012 /nfs/dbraw/zinc/68/40/12/893684012.db2.gz QMMBAJQLPGGKPY-KRWDZBQOSA-N 1 0 411.502 4.155 20 5 HIBDRO Cc1c(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000478772080 894046684 /nfs/dbraw/zinc/04/66/84/894046684.db2.gz WGCJIBIMMCYJSG-QGZVFWFLSA-N 1 0 410.518 4.135 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000479620770 894890118 /nfs/dbraw/zinc/89/01/18/894890118.db2.gz PIKHEXVLGQKROE-QHCPKHFHSA-N 1 0 408.502 4.342 20 5 HIBDRO Cc1c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480073992 895426676 /nfs/dbraw/zinc/42/66/76/895426676.db2.gz XXIAAPNRFBBGRQ-JTHBVZDNSA-N 1 0 422.529 4.099 20 5 HIBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1OCc1c(C)noc1C ZINC000480471988 895853129 /nfs/dbraw/zinc/85/31/29/895853129.db2.gz QTGRVVKMXONSNA-UHFFFAOYSA-N 1 0 411.458 4.385 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000480880575 896238430 /nfs/dbraw/zinc/23/84/30/896238430.db2.gz DLKPGWACPDUGIR-QGZVFWFLSA-N 1 0 404.470 4.480 20 5 HIBDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481209487 896561741 /nfs/dbraw/zinc/56/17/41/896561741.db2.gz ZBUJAXDWMKJBJY-FIKGOQFSSA-N 1 0 421.501 4.206 20 5 HIBDRO CCC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000481551125 896917558 /nfs/dbraw/zinc/91/75/58/896917558.db2.gz XZZQNPYRSCEZKG-VXKWHMMOSA-N 1 0 411.502 4.135 20 5 HIBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481850220 897218233 /nfs/dbraw/zinc/21/82/33/897218233.db2.gz VEJVJNSRMUENRA-XLIONFOSSA-N 1 0 413.905 4.375 20 5 HIBDRO Cc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482057279 897484802 /nfs/dbraw/zinc/48/48/02/897484802.db2.gz XSWYSIDBDMQNEC-UHFFFAOYSA-N 1 0 421.501 4.167 20 5 HIBDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482663864 898267142 /nfs/dbraw/zinc/26/71/42/898267142.db2.gz OKLROUNELOHZGV-HNNXBMFYSA-N 1 0 420.494 4.212 20 5 HIBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483400214 899033365 /nfs/dbraw/zinc/03/33/65/899033365.db2.gz CZCRUGSFGNXGJU-CYBMUJFWSA-N 1 0 409.408 4.166 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000483420254 899049720 /nfs/dbraw/zinc/04/97/20/899049720.db2.gz QWLWAYQBIRBZSG-HSZRJFAPSA-N 1 0 424.501 4.123 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000483812185 899489606 /nfs/dbraw/zinc/48/96/06/899489606.db2.gz YOOYJDFPUHHNIP-JLTOFOAXSA-N 1 0 406.885 4.149 20 5 HIBDRO COc1ccc(C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000484411421 899933389 /nfs/dbraw/zinc/93/33/89/899933389.db2.gz ZTURNFLOGQOCSD-UHFFFAOYSA-N 1 0 415.515 4.066 20 5 HIBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000484417553 899934729 /nfs/dbraw/zinc/93/47/29/899934729.db2.gz SBJPBKLRYGEGDN-UHFFFAOYSA-N 1 0 412.328 4.132 20 5 HIBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000485513306 900798620 /nfs/dbraw/zinc/79/86/20/900798620.db2.gz AMAPAPYYWBVZCG-HXUWFJFHSA-N 1 0 423.513 4.264 20 5 HIBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000485808368 901058001 /nfs/dbraw/zinc/05/80/01/901058001.db2.gz YQSUNKJGJGJSMX-HNNXBMFYSA-N 1 0 424.270 4.484 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000485847831 901092353 /nfs/dbraw/zinc/09/23/53/901092353.db2.gz SDNPGJQORWOMRU-UHFFFAOYSA-N 1 0 420.307 4.081 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485861756 901103219 /nfs/dbraw/zinc/10/32/19/901103219.db2.gz SOZBGTNBHVTOTF-UHFFFAOYSA-N 1 0 419.428 4.090 20 5 HIBDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978120 901195086 /nfs/dbraw/zinc/19/50/86/901195086.db2.gz VOCDUOFXMULUFX-PXAZEXFGSA-N 1 0 407.392 4.296 20 5 HIBDRO Cc1ccc(C)c(N2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000486251847 901434232 /nfs/dbraw/zinc/43/42/32/901434232.db2.gz OTCLNKKTKULMCW-UHFFFAOYSA-N 1 0 406.486 4.231 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000486373091 901538852 /nfs/dbraw/zinc/53/88/52/901538852.db2.gz OWQGCWNEPPNRQP-HSZRJFAPSA-N 1 0 419.481 4.207 20 5 HIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486450961 901610281 /nfs/dbraw/zinc/61/02/81/901610281.db2.gz LRWKAVPNEYYLBY-WFLBIRGASA-N 1 0 417.469 4.107 20 5 HIBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486888595 901934369 /nfs/dbraw/zinc/93/43/69/901934369.db2.gz SHCJUJPOKBXGDF-GOEBONIOSA-N 1 0 402.882 4.280 20 5 HIBDRO C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000487182096 902089695 /nfs/dbraw/zinc/08/96/95/902089695.db2.gz ABGIIQLVFNYQKH-HRAATJIYSA-N 1 0 404.470 4.078 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000487845614 902403844 /nfs/dbraw/zinc/40/38/44/902403844.db2.gz XALQYOJUJOIVOR-HOTGVXAUSA-N 1 0 406.442 4.460 20 5 HIBDRO C[NH+](C)CCCOc1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000487942570 902471866 /nfs/dbraw/zinc/47/18/66/902471866.db2.gz GMGFVGOZHIJVQU-UHFFFAOYSA-N 1 0 408.296 4.300 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[NH+]2CCCC2)o1 ZINC000487946853 902476505 /nfs/dbraw/zinc/47/65/05/902476505.db2.gz ODRGXQKCCODWGH-FQEVSTJZSA-N 1 0 412.490 4.007 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488185372 902671133 /nfs/dbraw/zinc/67/11/33/902671133.db2.gz PXKPTCHATPWQAX-UHFFFAOYSA-N 1 0 410.518 4.102 20 5 HIBDRO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000488221983 902701323 /nfs/dbraw/zinc/70/13/23/902701323.db2.gz QHPICOXLQQGRND-QGZVFWFLSA-N 1 0 411.527 4.304 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000489521522 903436060 /nfs/dbraw/zinc/43/60/60/903436060.db2.gz UBLIBTNBRSMJLU-FQEVSTJZSA-N 1 0 422.529 4.297 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000489574016 903473001 /nfs/dbraw/zinc/47/30/01/903473001.db2.gz RMAFVSOLBZFWPW-RIFZZMRRSA-N 1 0 416.547 4.408 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489752083 903579169 /nfs/dbraw/zinc/57/91/69/903579169.db2.gz MYXNFKGOSBCZBJ-OEWRPIJISA-N 1 0 424.545 4.286 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]3C[NH+]3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000489870714 903641805 /nfs/dbraw/zinc/64/18/05/903641805.db2.gz CEFKAAINZCHZNP-HXUWFJFHSA-N 1 0 408.502 4.220 20 5 HIBDRO COc1cc(OC)c(OC)cc1C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)(C)C ZINC000489965661 903701468 /nfs/dbraw/zinc/70/14/68/903701468.db2.gz MRBRXPKBBDLYSL-UHFFFAOYSA-N 1 0 418.490 4.430 20 5 HIBDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490014870 903724735 /nfs/dbraw/zinc/72/47/35/903724735.db2.gz RFARZFZFUUPOGM-CABCVRRESA-N 1 0 401.429 4.087 20 5 HIBDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490151290 903794586 /nfs/dbraw/zinc/79/45/86/903794586.db2.gz HJLINVVHVJNCAD-NRFANRHFSA-N 1 0 421.501 4.439 20 5 HIBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000490372572 903964021 /nfs/dbraw/zinc/96/40/21/903964021.db2.gz VUNGMACKHRFJBZ-QGZVFWFLSA-N 1 0 413.543 4.454 20 5 HIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380483 903972014 /nfs/dbraw/zinc/97/20/14/903972014.db2.gz YPBUPMUHSCMOFR-ROUUACIJSA-N 1 0 414.449 4.027 20 5 HIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380486 903972245 /nfs/dbraw/zinc/97/22/45/903972245.db2.gz YPBUPMUHSCMOFR-ZWKOTPCHSA-N 1 0 414.449 4.027 20 5 HIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000490587671 904120463 /nfs/dbraw/zinc/12/04/63/904120463.db2.gz JHGVBOGNOQFPEO-UHFFFAOYSA-N 1 0 401.486 4.022 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490817112 904263361 /nfs/dbraw/zinc/26/33/61/904263361.db2.gz GFYOWRGVEUYLHV-UHFFFAOYSA-N 1 0 403.866 4.250 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000490838195 904281050 /nfs/dbraw/zinc/28/10/50/904281050.db2.gz ACONYSIMMWLYEW-UHFFFAOYSA-N 1 0 405.564 4.480 20 5 HIBDRO CC(C)(NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000491004542 904364030 /nfs/dbraw/zinc/36/40/30/904364030.db2.gz STDNETPORVAESG-NRFANRHFSA-N 1 0 424.545 4.430 20 5 HIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000491143766 904453186 /nfs/dbraw/zinc/45/31/86/904453186.db2.gz YTYQWHZSTWQSPN-HNNXBMFYSA-N 1 0 400.385 4.303 20 5 HIBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1[N+](=O)[O-] ZINC000506123896 914812434 /nfs/dbraw/zinc/81/24/34/914812434.db2.gz DIZLVPQKYWECBI-HNNXBMFYSA-N 1 0 419.407 4.344 20 5 HIBDRO C[C@@H](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000491334448 904544661 /nfs/dbraw/zinc/54/46/61/904544661.db2.gz UGJPNLJPJXBMEQ-SFHVURJKSA-N 1 0 410.518 4.179 20 5 HIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000506147096 914824721 /nfs/dbraw/zinc/82/47/21/914824721.db2.gz HFDSPYXPSPGVOC-AWEZNQCLSA-N 1 0 405.380 4.036 20 5 HIBDRO Cc1cc(Br)cn2c(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cnc12 ZINC000492196358 904813835 /nfs/dbraw/zinc/81/38/35/904813835.db2.gz YPQGYEWQYVMVLB-UHFFFAOYSA-N 1 0 403.280 4.338 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938070 904960137 /nfs/dbraw/zinc/96/01/37/904960137.db2.gz SSXOTELQVFNWLN-WIYYLYMNSA-N 1 0 410.518 4.270 20 5 HIBDRO O=C(NCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000493134024 905028416 /nfs/dbraw/zinc/02/84/16/905028416.db2.gz YCRNJFOEWIXOND-NRFANRHFSA-N 1 0 409.873 4.357 20 5 HIBDRO O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493299885 905077893 /nfs/dbraw/zinc/07/78/93/905077893.db2.gz BQSOVDRDCLLOPT-JTHBVZDNSA-N 1 0 407.514 4.455 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000493307835 905082015 /nfs/dbraw/zinc/08/20/15/905082015.db2.gz BESBVFSBQVSTKU-OALUTQOASA-N 1 0 410.518 4.270 20 5 HIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000493601413 905169926 /nfs/dbraw/zinc/16/99/26/905169926.db2.gz HDMJQSKLANLACJ-MSOLQXFVSA-N 1 0 414.449 4.075 20 5 HIBDRO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512386359 921123057 /nfs/dbraw/zinc/12/30/57/921123057.db2.gz FOQBRKWCZDEBGU-DOTOQJQBSA-N 1 0 400.548 4.461 20 5 HIBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493885221 905244781 /nfs/dbraw/zinc/24/47/81/905244781.db2.gz GZVDHNFPQZHNOW-UHFFFAOYSA-N 1 0 420.513 4.242 20 5 HIBDRO O=C(CC(F)(F)F)N1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494005398 905346263 /nfs/dbraw/zinc/34/62/63/905346263.db2.gz YUVGEPLKSMSXKR-HXUWFJFHSA-N 1 0 421.419 4.217 20 5 HIBDRO C[C@H](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000494416101 905706228 /nfs/dbraw/zinc/70/62/28/905706228.db2.gz JFLIGPFRYOXKLS-GOSISDBHSA-N 1 0 410.518 4.179 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494464024 905746047 /nfs/dbraw/zinc/74/60/47/905746047.db2.gz IHRYQGRNPYTOHI-UZCIPKQKSA-N 1 0 424.284 4.348 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494464017 905746720 /nfs/dbraw/zinc/74/67/20/905746720.db2.gz IHRYQGRNPYTOHI-FJNPEDAXSA-N 1 0 424.284 4.348 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000494465529 905748910 /nfs/dbraw/zinc/74/89/10/905748910.db2.gz NFTLPUYJHDAZCL-ZCNNSNEGSA-N 1 0 415.877 4.085 20 5 HIBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000512455230 921173414 /nfs/dbraw/zinc/17/34/14/921173414.db2.gz BODDZIAQBKEXGZ-INIZCTEOSA-N 1 0 401.532 4.308 20 5 HIBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512458323 921174358 /nfs/dbraw/zinc/17/43/58/921174358.db2.gz ZIIRWJFTMGMBPK-FQEVSTJZSA-N 1 0 424.545 4.347 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494494787 905781366 /nfs/dbraw/zinc/78/13/66/905781366.db2.gz LTBRADRYKUDAGH-XLIONFOSSA-N 1 0 403.866 4.005 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494653037 905885258 /nfs/dbraw/zinc/88/52/58/905885258.db2.gz ZBDLMVMRRVSNBI-ORAYPTAESA-N 1 0 416.465 4.178 20 5 HIBDRO Cc1ccc([C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000494986900 906151597 /nfs/dbraw/zinc/15/15/97/906151597.db2.gz HDLJYYIMSTWBIX-QHCPKHFHSA-N 1 0 424.522 4.228 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3CCO)o2)c(Br)c1 ZINC000495177123 906287866 /nfs/dbraw/zinc/28/78/66/906287866.db2.gz YUZWAWWAMLRZGC-PXAZEXFGSA-N 1 0 409.280 4.258 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000495357190 906398325 /nfs/dbraw/zinc/39/83/25/906398325.db2.gz FZOZHCBINQDGGZ-SFHVURJKSA-N 1 0 410.392 4.018 20 5 HIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1Cl ZINC000495416375 906438009 /nfs/dbraw/zinc/43/80/09/906438009.db2.gz ZJLGRQBOEQFVEB-GFCCVEGCSA-N 1 0 406.273 4.376 20 5 HIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCc2nccn2C)cc1 ZINC000495439887 906452143 /nfs/dbraw/zinc/45/21/43/906452143.db2.gz OKIRVRCVTNFEST-OAHLLOKOSA-N 1 0 414.893 4.454 20 5 HIBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000496464970 906688102 /nfs/dbraw/zinc/68/81/02/906688102.db2.gz HUTKIPNFNMFPAZ-UHFFFAOYSA-N 1 0 422.510 4.066 20 5 HIBDRO O=C1CCc2cc([N+](=O)[O-])c(NCc3ccccc3C[NH+]3CCCCCC3)cc2N1 ZINC000496841738 906765529 /nfs/dbraw/zinc/76/55/29/906765529.db2.gz UXWPBTOXRCBMDE-UHFFFAOYSA-N 1 0 408.502 4.468 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497881537 907355307 /nfs/dbraw/zinc/35/53/07/907355307.db2.gz OBOHTEYURVFNRT-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1cccs1 ZINC000498151947 907677378 /nfs/dbraw/zinc/67/73/78/907677378.db2.gz GGAIFNTVBOMHBU-VLIAUNLRSA-N 1 0 410.499 4.017 20 5 HIBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498362321 907857838 /nfs/dbraw/zinc/85/78/38/907857838.db2.gz GBDNSZLSSZYZSD-GOEBONIOSA-N 1 0 403.866 4.045 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1Cc1ccccc1 ZINC000498416581 907891746 /nfs/dbraw/zinc/89/17/46/907891746.db2.gz CMNCXDFGCUHLPN-MJGOQNOKSA-N 1 0 418.497 4.174 20 5 HIBDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000498561100 908021420 /nfs/dbraw/zinc/02/14/20/908021420.db2.gz QHRRPEZOPZWCDP-FPOVZHCZSA-N 1 0 410.474 4.011 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498690020 908118563 /nfs/dbraw/zinc/11/85/63/908118563.db2.gz PQLFVEAPHCGJOS-DENIHFKCSA-N 1 0 424.545 4.425 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498690023 908119166 /nfs/dbraw/zinc/11/91/66/908119166.db2.gz PQLFVEAPHCGJOS-KNQAVFIVSA-N 1 0 424.545 4.425 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499499014 908817843 /nfs/dbraw/zinc/81/78/43/908817843.db2.gz WRROHMHRBRTALO-QGZVFWFLSA-N 1 0 413.543 4.198 20 5 HIBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000501305980 910459684 /nfs/dbraw/zinc/45/96/84/910459684.db2.gz HQLIBSJHJQFEGT-IBGZPJMESA-N 1 0 421.419 4.254 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502318596 911292838 /nfs/dbraw/zinc/29/28/38/911292838.db2.gz IEXNXDVINYZBSW-WWDZGPRUSA-N 1 0 405.564 4.235 20 5 HIBDRO C[C@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCOC1 ZINC000502620098 911645848 /nfs/dbraw/zinc/64/58/48/911645848.db2.gz GMBHCHBHHMJJOZ-NBQZKYEYSA-N 1 0 417.893 4.333 20 5 HIBDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000513346012 921729518 /nfs/dbraw/zinc/72/95/18/921729518.db2.gz PTDKNFWHNTYAJA-UHFFFAOYSA-N 1 0 410.518 4.053 20 5 HIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506470772 915070015 /nfs/dbraw/zinc/07/00/15/915070015.db2.gz NPECMWCJJICGJD-BRWVUGGUSA-N 1 0 422.957 4.162 20 5 HIBDRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000506474409 915074922 /nfs/dbraw/zinc/07/49/22/915074922.db2.gz MNWDMYVQSWUHJY-UHFFFAOYSA-N 1 0 421.856 4.117 20 5 HIBDRO Cn1cc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506664058 915340906 /nfs/dbraw/zinc/34/09/06/915340906.db2.gz VBOOSZLNTONXLP-UHFFFAOYSA-N 1 0 414.469 4.161 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000507231743 915989933 /nfs/dbraw/zinc/98/99/33/915989933.db2.gz KIJWKOKGHDEJKY-UHFFFAOYSA-N 1 0 405.454 4.341 20 5 HIBDRO O=C(Nc1cccc(Br)c1)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000507299230 916064692 /nfs/dbraw/zinc/06/46/92/916064692.db2.gz XENSRIJKWDZKSE-UHFFFAOYSA-N 1 0 424.320 4.270 20 5 HIBDRO CCC[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000507608510 916364129 /nfs/dbraw/zinc/36/41/29/916364129.db2.gz WDIZMTXAXFHKJC-QUCCMNQESA-N 1 0 409.465 4.438 20 5 HIBDRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000507994905 916835308 /nfs/dbraw/zinc/83/53/08/916835308.db2.gz LXQNWBIVSNTEAR-INIZCTEOSA-N 1 0 400.454 4.076 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508589097 917361324 /nfs/dbraw/zinc/36/13/24/917361324.db2.gz PIBBMBLZGUXFCX-FQEVSTJZSA-N 1 0 421.419 4.008 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3cncn3)s2)cc1 ZINC000508722255 917484666 /nfs/dbraw/zinc/48/46/66/917484666.db2.gz CPMSMNWUVKMVFG-UHFFFAOYSA-N 1 0 405.483 4.253 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000509266546 917953806 /nfs/dbraw/zinc/95/38/06/917953806.db2.gz YWGFBTTYFJGFOW-OALUTQOASA-N 1 0 404.555 4.273 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000509266844 917955416 /nfs/dbraw/zinc/95/54/16/917955416.db2.gz ZTKRCLKCHYNCMK-JOCHJYFZSA-N 1 0 410.518 4.352 20 5 HIBDRO CCOc1ccc(C2=CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000509461171 918111130 /nfs/dbraw/zinc/11/11/30/918111130.db2.gz DYSMTQXGJQDSAZ-UHFFFAOYSA-N 1 0 409.486 4.420 20 5 HIBDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1[N+](=O)[O-] ZINC000509522228 918170733 /nfs/dbraw/zinc/17/07/33/918170733.db2.gz CDLJFMCNIAJHKL-UHFFFAOYSA-N 1 0 403.866 4.113 20 5 HIBDRO COc1cc(C[NH2+]CCN2CCCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509617698 918266212 /nfs/dbraw/zinc/26/62/12/918266212.db2.gz KCDLGMGNBHNXCI-SFHVURJKSA-N 1 0 413.518 4.146 20 5 HIBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000509961934 918552688 /nfs/dbraw/zinc/55/26/88/918552688.db2.gz AILBEWFDJUMSDW-KRWDZBQOSA-N 1 0 406.442 4.251 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510100637 918664420 /nfs/dbraw/zinc/66/44/20/918664420.db2.gz SBDRUOAQMZMXOI-HKUYNNGSSA-N 1 0 413.543 4.104 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000510114811 918676767 /nfs/dbraw/zinc/67/67/67/918676767.db2.gz AEHSJZVASXNYLK-SJLPKXTDSA-N 1 0 415.921 4.208 20 5 HIBDRO CC[NH+](CC)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000510476578 918930670 /nfs/dbraw/zinc/93/06/70/918930670.db2.gz WOVSPXJFMBVUEP-IBGZPJMESA-N 1 0 423.435 4.355 20 5 HIBDRO C[C@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000510511759 918957598 /nfs/dbraw/zinc/95/75/98/918957598.db2.gz XIGHUAYFFXEHBB-IBGZPJMESA-N 1 0 410.518 4.006 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000510550213 918995170 /nfs/dbraw/zinc/99/51/70/918995170.db2.gz SMBFXLPQBJEBRV-FZKQIMNGSA-N 1 0 420.307 4.087 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000510985579 919539714 /nfs/dbraw/zinc/53/97/14/919539714.db2.gz MSTNMSJPXISNLB-FUHWJXTLSA-N 1 0 414.531 4.362 20 5 HIBDRO O=C(CC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000511075929 919676849 /nfs/dbraw/zinc/67/68/49/919676849.db2.gz URDCKHITWMHRDT-OAQYLSRUSA-N 1 0 403.429 4.485 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCN(c4nccs4)CC3)o2)c([N+](=O)[O-])c1 ZINC000511759645 920441157 /nfs/dbraw/zinc/44/11/57/920441157.db2.gz FMSOLFZZEBCNLN-UHFFFAOYSA-N 1 0 414.487 4.032 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000511766792 920451449 /nfs/dbraw/zinc/45/14/49/920451449.db2.gz APMFPYKNRWIESC-NRFANRHFSA-N 1 0 407.470 4.372 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000511801104 920495934 /nfs/dbraw/zinc/49/59/34/920495934.db2.gz FQXVUEJZDAGNIO-HXUWFJFHSA-N 1 0 415.921 4.208 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511894139 920629807 /nfs/dbraw/zinc/62/98/07/920629807.db2.gz QUASWZSVDADPNN-XUVXKRRUSA-N 1 0 407.470 4.161 20 5 HIBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000512002223 920770853 /nfs/dbraw/zinc/77/08/53/920770853.db2.gz QVWMKLDYHCCXIW-AWEZNQCLSA-N 1 0 419.934 4.423 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000512089515 920852971 /nfs/dbraw/zinc/85/29/71/920852971.db2.gz FXLMOWJSFAQDPS-MRXNPFEDSA-N 1 0 406.486 4.381 20 5 HIBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000513473311 921832825 /nfs/dbraw/zinc/83/28/25/921832825.db2.gz VSPKXGFJSHKACP-CYBMUJFWSA-N 1 0 410.417 4.276 20 5 HIBDRO O=C(c1ccccc1)N1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513787246 922112405 /nfs/dbraw/zinc/11/24/05/922112405.db2.gz VVEGQMGOSOEXFS-KNQAVFIVSA-N 1 0 407.514 4.200 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000514160008 922498488 /nfs/dbraw/zinc/49/84/88/922498488.db2.gz JOIXFQGKHTUIAS-KRWDZBQOSA-N 1 0 413.543 4.235 20 5 HIBDRO CCNc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000514472052 922638509 /nfs/dbraw/zinc/63/85/09/922638509.db2.gz ZYMNSQWOHCNVET-LJQANCHMSA-N 1 0 416.547 4.291 20 5 HIBDRO CCNc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000514472051 922638715 /nfs/dbraw/zinc/63/87/15/922638715.db2.gz ZYMNSQWOHCNVET-IBGZPJMESA-N 1 0 416.547 4.291 20 5 HIBDRO CC(C)NC(=O)c1ccc(NCc2ccccc2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000514904125 922840608 /nfs/dbraw/zinc/84/06/08/922840608.db2.gz QYABKTLTJQEZCT-UHFFFAOYSA-N 1 0 410.518 4.331 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000515528754 923157423 /nfs/dbraw/zinc/15/74/23/923157423.db2.gz NAFVTZMYQOTRPR-IIBYNOLFSA-N 1 0 414.506 4.047 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000516042961 923517370 /nfs/dbraw/zinc/51/73/70/923517370.db2.gz GWTUYLMQMVIRCZ-UHFFFAOYSA-N 1 0 410.392 4.288 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000516321245 923663451 /nfs/dbraw/zinc/66/34/51/923663451.db2.gz BQRPLXZNZWFQLF-UHFFFAOYSA-N 1 0 411.380 4.086 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000516498858 923760583 /nfs/dbraw/zinc/76/05/83/923760583.db2.gz YRYYNRFAPSKJIY-CQSZACIVSA-N 1 0 407.923 4.212 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000516553341 923792630 /nfs/dbraw/zinc/79/26/30/923792630.db2.gz OWIZEGGWQZBJHK-HDICACEKSA-N 1 0 410.518 4.072 20 5 HIBDRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000517540923 924253365 /nfs/dbraw/zinc/25/33/65/924253365.db2.gz OAGLMWVGTKZRMF-UHFFFAOYSA-N 1 0 405.454 4.249 20 5 HIBDRO CSc1ccc([C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[NH+](C)C)cc1 ZINC000517547345 924258638 /nfs/dbraw/zinc/25/86/38/924258638.db2.gz WKCLEWKWVCNCLK-SFHVURJKSA-N 1 0 401.532 4.275 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)cc1 ZINC000517581113 926693879 /nfs/dbraw/zinc/69/38/79/926693879.db2.gz DHYZFQPIMJQFEQ-UHFFFAOYSA-N 1 0 406.486 4.302 20 5 HIBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000518805245 927501703 /nfs/dbraw/zinc/50/17/03/927501703.db2.gz HQYJCLOQGOLALD-GOSISDBHSA-N 1 0 410.518 4.059 20 5 HIBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C2CCCCC2)cc1 ZINC000519803562 928082302 /nfs/dbraw/zinc/08/23/02/928082302.db2.gz SGIBIXFFSJFUOB-FCHUYYIVSA-N 1 0 400.523 4.187 20 5 HIBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000520167675 928358395 /nfs/dbraw/zinc/35/83/95/928358395.db2.gz NKKGAQODAKMPRY-UHFFFAOYSA-N 1 0 416.566 4.025 20 5 HIBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000520237239 928404860 /nfs/dbraw/zinc/40/48/60/928404860.db2.gz YQVACOYTNFTSGY-LSDHHAIUSA-N 1 0 419.909 4.261 20 5 HIBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000520312739 928474000 /nfs/dbraw/zinc/47/40/00/928474000.db2.gz PLZHIIRUVVEAMQ-HNNXBMFYSA-N 1 0 420.560 4.115 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C1CC1 ZINC000520372685 928528038 /nfs/dbraw/zinc/52/80/38/928528038.db2.gz DZCYPPWMPFRCOT-GOSISDBHSA-N 1 0 419.934 4.469 20 5 HIBDRO COc1cccc(C2(C[NH2+][C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)c1 ZINC000520833416 928836639 /nfs/dbraw/zinc/83/66/39/928836639.db2.gz AJUFDGRHYQWEGW-KRWDZBQOSA-N 1 0 411.502 4.340 20 5 HIBDRO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000520951156 928886718 /nfs/dbraw/zinc/88/67/18/928886718.db2.gz SDIGSKZHEFQFFG-UHFFFAOYSA-N 1 0 409.530 4.432 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)COc2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000520954701 928888695 /nfs/dbraw/zinc/88/86/95/928888695.db2.gz FESQSBHUGUEXQL-GOSISDBHSA-N 1 0 412.417 4.056 20 5 HIBDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)oc21 ZINC000520970535 928896087 /nfs/dbraw/zinc/89/60/87/928896087.db2.gz OUNYFIIBZHUZJO-RDTXWAMCSA-N 1 0 409.442 4.196 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3csc(-c4ccc5c(c4)OCO5)n3)c2c1 ZINC000521501305 929255398 /nfs/dbraw/zinc/25/53/98/929255398.db2.gz GOZMRWMKRUSNGP-UHFFFAOYSA-N 1 0 422.466 4.261 20 5 HIBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000521804897 929465187 /nfs/dbraw/zinc/46/51/87/929465187.db2.gz QLYITQGZUNSYFH-UHFFFAOYSA-N 1 0 422.529 4.297 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H](C)N1CCOCC1 ZINC000521827506 929482389 /nfs/dbraw/zinc/48/23/89/929482389.db2.gz MQOIQPOGGSHJDL-HOTGVXAUSA-N 1 0 419.909 4.239 20 5 HIBDRO CCN(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000521832948 929483943 /nfs/dbraw/zinc/48/39/43/929483943.db2.gz NDQCNVSKQNUJHH-UHFFFAOYSA-N 1 0 405.502 4.021 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000524831604 929850170 /nfs/dbraw/zinc/85/01/70/929850170.db2.gz BUIUXPVEAWQLSC-UHFFFAOYSA-N 1 0 424.545 4.190 20 5 HIBDRO C[C@H]([NH2+][C@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000524888246 929874428 /nfs/dbraw/zinc/87/44/28/929874428.db2.gz PBMQOWHWSHKWFI-FDDCHVKYSA-N 1 0 419.481 4.470 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000524945195 929907029 /nfs/dbraw/zinc/90/70/29/929907029.db2.gz ONZDORKERQHSAV-MHECFPHRSA-N 1 0 421.497 4.234 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354446 930192913 /nfs/dbraw/zinc/19/29/13/930192913.db2.gz JJUQNHCPMRFSNI-WIYYLYMNSA-N 1 0 410.518 4.052 20 5 HIBDRO CSC1(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000525695105 930406775 /nfs/dbraw/zinc/40/67/75/930406775.db2.gz RMRMXIFVYYDQJY-UHFFFAOYSA-N 1 0 401.532 4.365 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000525760799 930434450 /nfs/dbraw/zinc/43/44/50/930434450.db2.gz LMKAHFKBRHCUGF-HOTGVXAUSA-N 1 0 405.520 4.037 20 5 HIBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000527078419 930580498 /nfs/dbraw/zinc/58/04/98/930580498.db2.gz PZHUYDZRYXGKBX-JKSUJKDBSA-N 1 0 407.392 4.478 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000527289449 930627952 /nfs/dbraw/zinc/62/79/52/930627952.db2.gz YYMFMKVDDGIXFG-XOBRGWDASA-N 1 0 403.429 4.023 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000530728427 930809798 /nfs/dbraw/zinc/80/97/98/930809798.db2.gz XGTWQRSJGAAALT-CHWSQXEVSA-N 1 0 406.280 4.344 20 5 HIBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000530852609 930840808 /nfs/dbraw/zinc/84/08/08/930840808.db2.gz GXPPRQVZEDBEAQ-XMMPIXPASA-N 1 0 418.497 4.204 20 5 HIBDRO CN(C)[C@]1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCSC1 ZINC000530883291 930848096 /nfs/dbraw/zinc/84/80/96/930848096.db2.gz IFJUBQYRNGIYHP-FQEVSTJZSA-N 1 0 405.495 4.053 20 5 HIBDRO COc1ccc(C[NH2+][C@H](CO)c2ccccc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531094427 930917530 /nfs/dbraw/zinc/91/75/30/930917530.db2.gz STPHNYQBFBEBFS-JOCHJYFZSA-N 1 0 422.481 4.314 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531677203 931147539 /nfs/dbraw/zinc/14/75/39/931147539.db2.gz KGHCRVGQDIFSAX-KKSFZXQISA-N 1 0 419.547 4.427 20 5 HIBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000531775502 931192113 /nfs/dbraw/zinc/19/21/13/931192113.db2.gz XPACIFZMJBCIHM-UHFFFAOYSA-N 1 0 422.485 4.004 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532203028 931348538 /nfs/dbraw/zinc/34/85/38/931348538.db2.gz BQEVBVVPTRGSJI-SJORKVTESA-N 1 0 419.547 4.346 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000532373775 931414216 /nfs/dbraw/zinc/41/42/16/931414216.db2.gz FAKDZTSDMWGZJC-YTFSRNRJSA-N 1 0 418.497 4.495 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] ZINC000532690955 931587740 /nfs/dbraw/zinc/58/77/40/931587740.db2.gz LKUPERZWQHTRQC-MRXNPFEDSA-N 1 0 412.421 4.172 20 5 HIBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1C(F)(F)F ZINC000532899593 931684564 /nfs/dbraw/zinc/68/45/64/931684564.db2.gz RYUJWFAJLYRTSE-UHFFFAOYSA-N 1 0 409.364 4.044 20 5 HIBDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000532902235 931685704 /nfs/dbraw/zinc/68/57/04/931685704.db2.gz WGGQFKAQGRNHPY-LJQANCHMSA-N 1 0 411.458 4.129 20 5 HIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000533140503 931780778 /nfs/dbraw/zinc/78/07/78/931780778.db2.gz CFDPYJVPQKDXKR-CYBMUJFWSA-N 1 0 403.866 4.366 20 5 HIBDRO CN(C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000533147242 931785188 /nfs/dbraw/zinc/78/51/88/931785188.db2.gz FWIPZHSPELAIRP-IBGZPJMESA-N 1 0 407.392 4.012 20 5 HIBDRO CN1CC[NH+](Cc2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 ZINC000533211995 931810923 /nfs/dbraw/zinc/81/09/23/931810923.db2.gz YQKRFGKMDWJVFU-UHFFFAOYSA-N 1 0 423.542 4.078 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)c1 ZINC000533230531 931814876 /nfs/dbraw/zinc/81/48/76/931814876.db2.gz IMHRANJPHSTARD-IBGZPJMESA-N 1 0 421.453 4.401 20 5 HIBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1cc(Cl)ccc1Cl ZINC000533242275 931817423 /nfs/dbraw/zinc/81/74/23/931817423.db2.gz JUNICJXMJCFNBB-UHFFFAOYSA-N 1 0 423.300 4.052 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000533334808 931840878 /nfs/dbraw/zinc/84/08/78/931840878.db2.gz GVXYCXYANAPNNY-UHFFFAOYSA-N 1 0 407.392 4.356 20 5 HIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000533369212 931850984 /nfs/dbraw/zinc/85/09/84/931850984.db2.gz BUDGLRLDAUUQTF-MRXNPFEDSA-N 1 0 412.421 4.042 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513694 931890606 /nfs/dbraw/zinc/89/06/06/931890606.db2.gz OQQJCZHVGFVURT-ZUOKHONESA-N 1 0 401.438 4.201 20 5 HIBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000534623218 932603976 /nfs/dbraw/zinc/60/39/76/932603976.db2.gz JGJJXUJVLSAOJF-UHFFFAOYSA-N 1 0 420.513 4.311 20 5 HIBDRO Cc1c(CC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962369 932862452 /nfs/dbraw/zinc/86/24/52/932862452.db2.gz CTYJOCOAZCGKKT-IIBYNOLFSA-N 1 0 419.884 4.047 20 5 HIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)nc2c1 ZINC000535665737 933310530 /nfs/dbraw/zinc/31/05/30/933310530.db2.gz LVFVZLFLBFOGNG-QGZVFWFLSA-N 1 0 421.501 4.296 20 5 HIBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682028 933334767 /nfs/dbraw/zinc/33/47/67/933334767.db2.gz UPUVLKLUDCSWSP-KUHUBIRLSA-N 1 0 405.857 4.119 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535695179 933349549 /nfs/dbraw/zinc/34/95/49/933349549.db2.gz ZIVCXYQBQGWFTA-UHFFFAOYSA-N 1 0 400.504 4.122 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799061 933395480 /nfs/dbraw/zinc/39/54/80/933395480.db2.gz AKTCJCPOCCBKPP-QUCCMNQESA-N 1 0 412.486 4.183 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1 ZINC000536122859 933672635 /nfs/dbraw/zinc/67/26/35/933672635.db2.gz FAHDMPATGFSDJI-INIZCTEOSA-N 1 0 406.486 4.489 20 5 HIBDRO COc1ccc(CNc2cc(C[NH+](C)C)ccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537506879 933796857 /nfs/dbraw/zinc/79/68/57/933796857.db2.gz FOQRBMYCJJURAE-UHFFFAOYSA-N 1 0 422.485 4.251 20 5 HIBDRO COc1cc(CNc2ccc3c(c2)[nH+]c(C)n3C)c([N+](=O)[O-])cc1OCC(F)F ZINC000537611579 938332899 /nfs/dbraw/zinc/33/28/99/938332899.db2.gz PKTDRMLPMFJXER-UHFFFAOYSA-N 1 0 406.389 4.055 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)o2)c(Br)c1 ZINC000537647439 938345215 /nfs/dbraw/zinc/34/52/15/938345215.db2.gz QJCRFJCVTYNCQL-KBPBESRZSA-N 1 0 421.291 4.476 20 5 HIBDRO C[C@H](Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000537652742 938347774 /nfs/dbraw/zinc/34/77/74/938347774.db2.gz OSEGQFFXPGJIEB-HNNXBMFYSA-N 1 0 416.909 4.326 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537867753 938394728 /nfs/dbraw/zinc/39/47/28/938394728.db2.gz FKTBTCDTSYAZEG-DENIHFKCSA-N 1 0 414.502 4.476 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537918664 938413382 /nfs/dbraw/zinc/41/33/82/938413382.db2.gz CZJUQGCMCFUZFC-IRXDYDNUSA-N 1 0 417.531 4.181 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000537942517 938426481 /nfs/dbraw/zinc/42/64/81/938426481.db2.gz GLUDWCKLNJOKQY-JZWVFAODSA-N 1 0 407.518 4.474 20 5 HIBDRO COc1cc(C)c([C@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000538189380 938545744 /nfs/dbraw/zinc/54/57/44/938545744.db2.gz YEHCAFVXMNBYJP-HNNXBMFYSA-N 1 0 411.458 4.469 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000538237068 938569324 /nfs/dbraw/zinc/56/93/24/938569324.db2.gz HWHSLFKFQQWKIJ-INIZCTEOSA-N 1 0 413.543 4.272 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000538323806 938592661 /nfs/dbraw/zinc/59/26/61/938592661.db2.gz VVOHAUSPERONTM-OAQYLSRUSA-N 1 0 401.438 4.120 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCN(c4ncccc4F)C3)o2)c(Cl)c1 ZINC000538420405 938616439 /nfs/dbraw/zinc/61/64/39/938616439.db2.gz PHYIBMYPUUNHQQ-CYBMUJFWSA-N 1 0 416.840 4.411 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1cc(OC)c(OC)cc1SC ZINC000538718435 938689644 /nfs/dbraw/zinc/68/96/44/938689644.db2.gz RQGSHPAHABPNQA-UHFFFAOYSA-N 1 0 406.504 4.365 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538791585 938712589 /nfs/dbraw/zinc/71/25/89/938712589.db2.gz FDYLUPSISYEXDO-TZIWHRDSSA-N 1 0 412.486 4.183 20 5 HIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000538800640 938716160 /nfs/dbraw/zinc/71/61/60/938716160.db2.gz WXDRQMMBCJYIGX-UHFFFAOYSA-N 1 0 422.529 4.088 20 5 HIBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000539269228 938830740 /nfs/dbraw/zinc/83/07/40/938830740.db2.gz CWQRVQHNMWMBOX-INIZCTEOSA-N 1 0 415.490 4.236 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000539380878 938852154 /nfs/dbraw/zinc/85/21/54/938852154.db2.gz ZBOHPKLOABCBDS-KRWDZBQOSA-N 1 0 418.497 4.351 20 5 HIBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000539422846 938858490 /nfs/dbraw/zinc/85/84/90/938858490.db2.gz DEPGGBKIGPMXEO-KRWDZBQOSA-N 1 0 415.799 4.170 20 5 HIBDRO CC[C@H](C(=O)N1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000539497332 938868900 /nfs/dbraw/zinc/86/89/00/938868900.db2.gz DOJWADVBHLJYCL-DTDSUUGDSA-N 1 0 407.514 4.382 20 5 HIBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539828501 938949399 /nfs/dbraw/zinc/94/93/99/938949399.db2.gz APNYOIXKNBRHFU-QFBILLFUSA-N 1 0 416.522 4.198 20 5 HIBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000539862371 938960441 /nfs/dbraw/zinc/96/04/41/938960441.db2.gz HXXROVVYVZLQDB-CYBMUJFWSA-N 1 0 409.280 4.476 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)cc1 ZINC000540191535 939116218 /nfs/dbraw/zinc/11/62/18/939116218.db2.gz UJZGKNVWZPVAEG-MRXNPFEDSA-N 1 0 424.238 4.203 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1)CC(C)C ZINC000540234822 939156077 /nfs/dbraw/zinc/15/60/77/939156077.db2.gz FRSWDUUBQXTFAZ-UHFFFAOYSA-N 1 0 400.523 4.296 20 5 HIBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540320613 939193344 /nfs/dbraw/zinc/19/33/44/939193344.db2.gz GFQWWVKQZCQLEY-INIZCTEOSA-N 1 0 410.474 4.047 20 5 HIBDRO COC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)c(F)c1 ZINC000540423189 939242973 /nfs/dbraw/zinc/24/29/73/939242973.db2.gz KMGIEMXVICVETI-SFHVURJKSA-N 1 0 403.385 4.048 20 5 HIBDRO C[C@H]1CN([C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000540529974 939291401 /nfs/dbraw/zinc/29/14/01/939291401.db2.gz QDYLFQHUJRXUJR-BLLLJJGKSA-N 1 0 413.902 4.000 20 5 HIBDRO O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000540613794 939320449 /nfs/dbraw/zinc/32/04/49/939320449.db2.gz SWRLJINOLWNJIG-DDCFWYMVSA-N 1 0 415.493 4.125 20 5 HIBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540961966 939421270 /nfs/dbraw/zinc/42/12/70/939421270.db2.gz LVNSLRTXDRDOIP-QWHCGFSZSA-N 1 0 409.280 4.210 20 5 HIBDRO COc1cc(CNc2cccc(N(C)C)[nH+]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000541015379 939431518 /nfs/dbraw/zinc/43/15/18/939431518.db2.gz RMFBJIHYKWTNHK-UHFFFAOYSA-N 1 0 408.458 4.256 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000541059766 939445805 /nfs/dbraw/zinc/44/58/05/939445805.db2.gz PMGITGJGGSLLJW-YQVWRLOYSA-N 1 0 407.555 4.190 20 5 HIBDRO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541270945 939488647 /nfs/dbraw/zinc/48/86/47/939488647.db2.gz YTRSXHUWVNXIRP-KGLIPLIRSA-N 1 0 411.955 4.110 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000541324792 939490983 /nfs/dbraw/zinc/49/09/83/939490983.db2.gz ZAWFBQBVVXGILE-INIZCTEOSA-N 1 0 410.392 4.022 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)c1ccccc1C(F)(F)F ZINC000541634155 939577770 /nfs/dbraw/zinc/57/77/70/939577770.db2.gz OCNTVOKUPFCWQL-UONOGXRCSA-N 1 0 421.419 4.285 20 5 HIBDRO CC(C)([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccs1 ZINC000541643335 939583839 /nfs/dbraw/zinc/58/38/39/939583839.db2.gz TXUQRCLTGVJUQA-UHFFFAOYSA-N 1 0 402.501 4.243 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000542253188 939773563 /nfs/dbraw/zinc/77/35/63/939773563.db2.gz IPQBELGUNNGYPD-NQIIRXRSSA-N 1 0 410.445 4.047 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542472646 939828770 /nfs/dbraw/zinc/82/87/70/939828770.db2.gz MTDDLZIMOUNYGQ-QHCPKHFHSA-N 1 0 421.497 4.374 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000542514885 939835629 /nfs/dbraw/zinc/83/56/29/939835629.db2.gz NKPQJGIRPNZWNF-UHFFFAOYSA-N 1 0 400.401 4.142 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000542525490 939837172 /nfs/dbraw/zinc/83/71/72/939837172.db2.gz JTNGBXSNFZMZOO-LJQANCHMSA-N 1 0 416.524 4.004 20 5 HIBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542621223 939849500 /nfs/dbraw/zinc/84/95/00/939849500.db2.gz YZVYFAHXFCJPTM-UHFFFAOYSA-N 1 0 417.575 4.481 20 5 HIBDRO Cn1cc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000542689715 939854346 /nfs/dbraw/zinc/85/43/46/939854346.db2.gz QXFHCXQSEKDSJK-FPOVZHCZSA-N 1 0 410.449 4.144 20 5 HIBDRO COc1cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543225862 940001144 /nfs/dbraw/zinc/00/11/44/940001144.db2.gz LMVRJZPTCOVSAK-ZWKOTPCHSA-N 1 0 414.502 4.477 20 5 HIBDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543453965 940067609 /nfs/dbraw/zinc/06/76/09/940067609.db2.gz WLILBXQLZWCYPG-OALUTQOASA-N 1 0 412.511 4.278 20 5 HIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000543469038 940074401 /nfs/dbraw/zinc/07/44/01/940074401.db2.gz HBVVEEAUHQESAZ-GJZGRUSLSA-N 1 0 410.499 4.439 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCO1 ZINC000543491758 940082556 /nfs/dbraw/zinc/08/25/56/940082556.db2.gz BJGDHMWEGHXKEB-YSIASYRMSA-N 1 0 417.893 4.475 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000543620782 940136092 /nfs/dbraw/zinc/13/60/92/940136092.db2.gz MWDMPSMEPGDSST-SFHVURJKSA-N 1 0 411.506 4.135 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000543629221 940141169 /nfs/dbraw/zinc/14/11/69/940141169.db2.gz JSYZFJDKHYGFKB-HNNXBMFYSA-N 1 0 404.308 4.282 20 5 HIBDRO Cn1cc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000543636166 940144083 /nfs/dbraw/zinc/14/40/83/940144083.db2.gz WAWJAZXDCITIML-YADHBBJMSA-N 1 0 424.476 4.487 20 5 HIBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000543810639 940194018 /nfs/dbraw/zinc/19/40/18/940194018.db2.gz YWUYCGPHFZMFAF-ZDUSSCGKSA-N 1 0 413.865 4.032 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000543993054 940287165 /nfs/dbraw/zinc/28/71/65/940287165.db2.gz SRJZJLCURKPUEP-CVEARBPZSA-N 1 0 424.501 4.320 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000543993056 940287653 /nfs/dbraw/zinc/28/76/53/940287653.db2.gz SRJZJLCURKPUEP-HZPDHXFCSA-N 1 0 424.501 4.320 20 5 HIBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000544120143 940331601 /nfs/dbraw/zinc/33/16/01/940331601.db2.gz NKYIMGYARYYPQJ-MNOVXSKESA-N 1 0 403.237 4.131 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000563853597 945315549 /nfs/dbraw/zinc/31/55/49/945315549.db2.gz BBAGJJAGJYUISO-ZBFHGGJFSA-N 1 0 407.308 4.168 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000544384126 940407747 /nfs/dbraw/zinc/40/77/47/940407747.db2.gz CUDFAKXRTMSIBD-GFCCVEGCSA-N 1 0 411.380 4.129 20 5 HIBDRO Cc1ccc([C@H](Cn2ccnc2)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000544417100 940417957 /nfs/dbraw/zinc/41/79/57/940417957.db2.gz OLYUONIAQIABCG-KKSFZXQISA-N 1 0 410.449 4.208 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544428537 940426290 /nfs/dbraw/zinc/42/62/90/940426290.db2.gz ISSRWGBLDMQIPV-HNNXBMFYSA-N 1 0 417.506 4.333 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000544489798 940455226 /nfs/dbraw/zinc/45/52/26/940455226.db2.gz GGZGWJZMWVJPEA-LBPRGKRZSA-N 1 0 406.508 4.037 20 5 HIBDRO C[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544557948 940478433 /nfs/dbraw/zinc/47/84/33/940478433.db2.gz KOCGBHLADBPDHA-IAGOWNOFSA-N 1 0 405.514 4.341 20 5 HIBDRO Cc1cc(Cc2noc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)ccc1[N+](=O)[O-] ZINC000545146219 940550616 /nfs/dbraw/zinc/55/06/16/940550616.db2.gz XTWQNTWLMDSHLW-SFHVURJKSA-N 1 0 410.449 4.396 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000545149543 940551278 /nfs/dbraw/zinc/55/12/78/940551278.db2.gz DQQJVGWZPCCFHU-UHFFFAOYSA-N 1 0 401.482 4.168 20 5 HIBDRO C[NH+](C)CCOc1ccccc1-c1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000545689960 940580880 /nfs/dbraw/zinc/58/08/80/940580880.db2.gz VWMFBOOBQKTZDO-UHFFFAOYSA-N 1 0 422.363 4.271 20 5 HIBDRO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545830618 940619479 /nfs/dbraw/zinc/61/94/79/940619479.db2.gz BKCGRVOYKDMDIY-WMZOPIPTSA-N 1 0 413.493 4.038 20 5 HIBDRO CC(C)(C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545863668 940642352 /nfs/dbraw/zinc/64/23/52/940642352.db2.gz HVRGRKVSNWUJPT-KRWDZBQOSA-N 1 0 405.514 4.126 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000546563963 940854204 /nfs/dbraw/zinc/85/42/04/940854204.db2.gz LQDGXQUECCJJOG-MRXNPFEDSA-N 1 0 413.493 4.353 20 5 HIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546930532 940916954 /nfs/dbraw/zinc/91/69/54/940916954.db2.gz JPIFPQHHNYFLAI-QFIPXVFZSA-N 1 0 420.513 4.389 20 5 HIBDRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000546936079 940918518 /nfs/dbraw/zinc/91/85/18/940918518.db2.gz PJZFOWLQKVEMJZ-ZDUSSCGKSA-N 1 0 403.280 4.207 20 5 HIBDRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)nc12 ZINC000546971525 940931481 /nfs/dbraw/zinc/93/14/81/940931481.db2.gz QLNWQUTVYOKJTB-UHFFFAOYSA-N 1 0 423.698 4.299 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000547270778 941049513 /nfs/dbraw/zinc/04/95/13/941049513.db2.gz LLZBZCWIUFDGMC-GOSISDBHSA-N 1 0 407.873 4.084 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000549085655 941155195 /nfs/dbraw/zinc/15/51/95/941155195.db2.gz FNHNBRVRURONAD-JOCHJYFZSA-N 1 0 411.502 4.197 20 5 HIBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[NH+](C)C)cc1 ZINC000549088051 941155392 /nfs/dbraw/zinc/15/53/92/941155392.db2.gz RHTVFAYFDLSAHF-GOSISDBHSA-N 1 0 409.408 4.209 20 5 HIBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549338043 941181090 /nfs/dbraw/zinc/18/10/90/941181090.db2.gz NOADCBJRKWYLJP-ZDUSSCGKSA-N 1 0 405.380 4.387 20 5 HIBDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3c(Cl)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549477263 941194662 /nfs/dbraw/zinc/19/46/62/941194662.db2.gz PZNKMHCPKKWVOL-PZJWPPBQSA-N 1 0 401.894 4.324 20 5 HIBDRO NC(=O)C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000550292127 941310263 /nfs/dbraw/zinc/31/02/63/941310263.db2.gz PGYFGXWTLQQKTC-IBGZPJMESA-N 1 0 409.417 4.233 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000551259524 941437300 /nfs/dbraw/zinc/43/73/00/941437300.db2.gz QICRHWUHLMFDIX-KBPBESRZSA-N 1 0 424.339 4.049 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000551277060 941442119 /nfs/dbraw/zinc/44/21/19/941442119.db2.gz GTARTYNADLQGEV-QGZVFWFLSA-N 1 0 411.502 4.232 20 5 HIBDRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000551313536 941449168 /nfs/dbraw/zinc/44/91/68/941449168.db2.gz ODGQEIZGBXYFET-CQSZACIVSA-N 1 0 419.844 4.340 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000551517126 941493225 /nfs/dbraw/zinc/49/32/25/941493225.db2.gz FMLSMVZEJGEJOM-LBPRGKRZSA-N 1 0 416.421 4.176 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000552308180 941628513 /nfs/dbraw/zinc/62/85/13/941628513.db2.gz KJYDEDCNSWPUCG-KRWDZBQOSA-N 1 0 406.866 4.278 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000552320646 941630629 /nfs/dbraw/zinc/63/06/29/941630629.db2.gz CJRIPFLUJJLDIT-KSSFIOAISA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552334678 941635187 /nfs/dbraw/zinc/63/51/87/941635187.db2.gz UOJBYFNBNISVAF-APWZRJJASA-N 1 0 411.527 4.445 20 5 HIBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552334680 941635225 /nfs/dbraw/zinc/63/52/25/941635225.db2.gz UOJBYFNBNISVAF-QFBILLFUSA-N 1 0 411.527 4.445 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)n1 ZINC000554374633 942117668 /nfs/dbraw/zinc/11/76/68/942117668.db2.gz VPTSQTIGGZEKIG-GJZGRUSLSA-N 1 0 404.339 4.362 20 5 HIBDRO C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC000555313010 942473035 /nfs/dbraw/zinc/47/30/35/942473035.db2.gz YVKXODOMBJYTCH-DVECYGJZSA-N 1 0 407.514 4.213 20 5 HIBDRO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555683911 942700674 /nfs/dbraw/zinc/70/06/74/942700674.db2.gz LEDHRTGWGDYTRS-GOSISDBHSA-N 1 0 410.518 4.387 20 5 HIBDRO Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000556011749 942785868 /nfs/dbraw/zinc/78/58/68/942785868.db2.gz AZRMVYDYDDLCBR-UHFFFAOYSA-N 1 0 419.485 4.327 20 5 HIBDRO C[NH+](C)CCOc1ccccc1-c1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000556292733 942834701 /nfs/dbraw/zinc/83/47/01/942834701.db2.gz MRNRPEPCZLTYDE-UHFFFAOYSA-N 1 0 422.363 4.271 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000556909802 942961290 /nfs/dbraw/zinc/96/12/90/942961290.db2.gz MLABTYYYYZWOJS-QFIPXVFZSA-N 1 0 418.497 4.327 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000557837535 943309111 /nfs/dbraw/zinc/30/91/11/943309111.db2.gz OMDPULRUNVWTGK-MRXNPFEDSA-N 1 0 405.564 4.289 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000558497555 943576513 /nfs/dbraw/zinc/57/65/13/943576513.db2.gz OVMVGDMANWXEDU-WOJBJXKFSA-N 1 0 408.502 4.197 20 5 HIBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000558583540 943608271 /nfs/dbraw/zinc/60/82/71/943608271.db2.gz NGUJTRJKCNXZRE-UHFFFAOYSA-N 1 0 405.542 4.410 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000558912751 943743437 /nfs/dbraw/zinc/74/34/37/943743437.db2.gz IWCWWHZVPSQKQS-SFHVURJKSA-N 1 0 405.564 4.433 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000558912744 943743530 /nfs/dbraw/zinc/74/35/30/943743530.db2.gz IWCWWHZVPSQKQS-GOSISDBHSA-N 1 0 405.564 4.433 20 5 HIBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000559395945 943931023 /nfs/dbraw/zinc/93/10/23/943931023.db2.gz XOHLGOLIYANSOL-IBGZPJMESA-N 1 0 421.501 4.055 20 5 HIBDRO CC[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000560270046 944214007 /nfs/dbraw/zinc/21/40/07/944214007.db2.gz ZCDMVIPKVORBLA-REWPJTCUSA-N 1 0 422.485 4.061 20 5 HIBDRO Cn1ccnc1[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549892 944251351 /nfs/dbraw/zinc/25/13/51/944251351.db2.gz IOJXHSHDOMCYJH-ISKFKSNPSA-N 1 0 419.529 4.062 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(OCc4ccccc4)CC3)o2)c1 ZINC000560669709 944289244 /nfs/dbraw/zinc/28/92/44/944289244.db2.gz DOKOBENQRDBWGS-UHFFFAOYSA-N 1 0 407.470 4.474 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000561125864 944467565 /nfs/dbraw/zinc/46/75/65/944467565.db2.gz DTPPSFVIDFMISX-GJZGRUSLSA-N 1 0 402.520 4.456 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000561279292 944537681 /nfs/dbraw/zinc/53/76/81/944537681.db2.gz OBPNGJXVTPIJTF-IBGZPJMESA-N 1 0 422.934 4.023 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000561417732 944588804 /nfs/dbraw/zinc/58/88/04/944588804.db2.gz RRVRWCUBXNGWFM-FXAWDEMLSA-N 1 0 408.502 4.219 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000561493508 944634488 /nfs/dbraw/zinc/63/44/88/944634488.db2.gz BABYLIGUBPPRKM-LJQANCHMSA-N 1 0 411.502 4.195 20 5 HIBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C2)C1 ZINC000561773930 944791053 /nfs/dbraw/zinc/79/10/53/944791053.db2.gz PKFKOUASNOELDQ-NRFANRHFSA-N 1 0 415.877 4.208 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000565741316 945876931 /nfs/dbraw/zinc/87/69/31/945876931.db2.gz JZKZIWXBDGRLKV-MRXNPFEDSA-N 1 0 401.532 4.346 20 5 HIBDRO Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000565847594 945892553 /nfs/dbraw/zinc/89/25/53/945892553.db2.gz PQGQSNKWKFVJEU-UHFFFAOYSA-N 1 0 423.435 4.491 20 5 HIBDRO C[N@H+](CCCn1ccnc1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000566530237 946033279 /nfs/dbraw/zinc/03/32/79/946033279.db2.gz YBAPVSIPTGVAOE-UHFFFAOYSA-N 1 0 416.485 4.166 20 5 HIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000570490697 947267969 /nfs/dbraw/zinc/26/79/69/947267969.db2.gz WLDVDGZXUPEQDI-OAHLLOKOSA-N 1 0 402.520 4.252 20 5 HIBDRO Cc1nc(-c2ccc(C[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])s2)cs1 ZINC000570698294 947328619 /nfs/dbraw/zinc/32/86/19/947328619.db2.gz MIIMCSCEUJVVFE-UHFFFAOYSA-N 1 0 402.501 4.207 20 5 HIBDRO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000570950424 947395944 /nfs/dbraw/zinc/39/59/44/947395944.db2.gz ANSPTSNXMYCCDC-KRWDZBQOSA-N 1 0 424.501 4.152 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000571196978 947540569 /nfs/dbraw/zinc/54/05/69/947540569.db2.gz WWHYOSFHIOPDQC-OAHLLOKOSA-N 1 0 417.456 4.106 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000571827987 947796663 /nfs/dbraw/zinc/79/66/63/947796663.db2.gz FGSOMHZKJVWWGD-RBZFPXEDSA-N 1 0 401.438 4.201 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000571827990 947796935 /nfs/dbraw/zinc/79/69/35/947796935.db2.gz FGSOMHZKJVWWGD-ZUOKHONESA-N 1 0 401.438 4.201 20 5 HIBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573409260 948194665 /nfs/dbraw/zinc/19/46/65/948194665.db2.gz LSVYQPHYFZVKKA-QGZVFWFLSA-N 1 0 408.239 4.285 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001165030212 721830770 /nfs/dbraw/zinc/83/07/70/721830770.db2.gz YZQBACKQIMHRJJ-CDNPAEQRSA-N 1 0 417.513 4.275 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436154828 861455345 /nfs/dbraw/zinc/45/53/45/861455345.db2.gz QONFJNAZRLZMOR-IYBDPMFKSA-N 1 0 423.532 4.307 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000007257917 845297593 /nfs/dbraw/zinc/29/75/93/845297593.db2.gz NTKQVOGGPYRWJD-UHFFFAOYSA-N 1 0 422.529 4.111 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007828893 845422684 /nfs/dbraw/zinc/42/26/84/845422684.db2.gz XFKOOKFXKPLJHI-INIZCTEOSA-N 1 0 401.532 4.234 20 5 HIBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000015549885 846062051 /nfs/dbraw/zinc/06/20/51/846062051.db2.gz BGHWOTAJKSIRBN-GOSISDBHSA-N 1 0 406.280 4.283 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025461646 846982015 /nfs/dbraw/zinc/98/20/15/846982015.db2.gz NFKPTHSGIHWVGG-INIZCTEOSA-N 1 0 413.543 4.029 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CCN(CC(F)(F)F)CC3)cs2)c1 ZINC000436403085 861750125 /nfs/dbraw/zinc/75/01/25/861750125.db2.gz FWCOJLSOLOFOOO-UHFFFAOYSA-N 1 0 414.453 4.082 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000026224902 847106155 /nfs/dbraw/zinc/10/61/55/847106155.db2.gz YFHZAZPELWJOBX-UHFFFAOYSA-N 1 0 406.280 4.126 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000027674960 847335661 /nfs/dbraw/zinc/33/56/61/847335661.db2.gz ZKCJSIKKVFDWGY-FQEVSTJZSA-N 1 0 424.526 4.301 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000029174342 847520656 /nfs/dbraw/zinc/52/06/56/847520656.db2.gz VYLUDGVNDCALAY-NRFANRHFSA-N 1 0 413.543 4.129 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)C[C@@H](C)O1 ZINC000030001637 847667430 /nfs/dbraw/zinc/66/74/30/847667430.db2.gz TYMSWFMKPXQSIV-IAGOWNOFSA-N 1 0 406.486 4.364 20 5 HIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000030509843 847724808 /nfs/dbraw/zinc/72/48/08/847724808.db2.gz ATOKTWQHGDPDBW-NWDGAFQWSA-N 1 0 422.279 4.044 20 5 HIBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000031232820 847848120 /nfs/dbraw/zinc/84/81/20/847848120.db2.gz HZZJRXLTTYQKJX-IRXDYDNUSA-N 1 0 410.518 4.391 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)cc1 ZINC000043343142 848412586 /nfs/dbraw/zinc/41/25/86/848412586.db2.gz RARIMIKDTCFZAA-LJQANCHMSA-N 1 0 418.881 4.215 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000045787969 848728286 /nfs/dbraw/zinc/72/82/86/848728286.db2.gz KGQZUHLYOLTYGO-GOSISDBHSA-N 1 0 410.518 4.168 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000045820541 848734949 /nfs/dbraw/zinc/73/49/49/848734949.db2.gz ZVVSOUWXWYCEEB-RYUDHWBXSA-N 1 0 411.380 4.300 20 5 HIBDRO C[NH+](C)Cc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000046681053 848908690 /nfs/dbraw/zinc/90/86/90/848908690.db2.gz VBHGTUWTBKCDQH-UHFFFAOYSA-N 1 0 410.396 4.116 20 5 HIBDRO CC(C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cc1 ZINC000047258164 849015965 /nfs/dbraw/zinc/01/59/65/849015965.db2.gz WGGKOIZPQMSKEQ-UHFFFAOYSA-N 1 0 407.264 4.249 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000053158001 849673294 /nfs/dbraw/zinc/67/32/94/849673294.db2.gz UYTSCYZDBGGDCD-SFHVURJKSA-N 1 0 403.866 4.423 20 5 HIBDRO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c([N+](=O)[O-])cc1OC ZINC000055448793 850026521 /nfs/dbraw/zinc/02/65/21/850026521.db2.gz UQCNLIPYDAQPFW-OAHLLOKOSA-N 1 0 413.474 4.239 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000058853709 850944353 /nfs/dbraw/zinc/94/43/53/850944353.db2.gz SRWMYXWQQPZALP-GOSISDBHSA-N 1 0 418.881 4.215 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CCN3CCOCC3)cc2[N+](=O)[O-])c1 ZINC000060807059 851218620 /nfs/dbraw/zinc/21/86/20/851218620.db2.gz JQQZNGDPPGSCGS-UHFFFAOYSA-N 1 0 413.518 4.241 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000061003277 851269588 /nfs/dbraw/zinc/26/95/88/851269588.db2.gz VUTUJCRWHKFVQU-UHFFFAOYSA-N 1 0 408.454 4.481 20 5 HIBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000437042816 862234846 /nfs/dbraw/zinc/23/48/46/862234846.db2.gz UCXIVYDQKLKWCN-INIZCTEOSA-N 1 0 421.419 4.208 20 5 HIBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000065674543 852214087 /nfs/dbraw/zinc/21/40/87/852214087.db2.gz KBPNIHSJAZLBFH-ZWKOTPCHSA-N 1 0 410.518 4.057 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000069250298 852389099 /nfs/dbraw/zinc/38/90/99/852389099.db2.gz NWSFRAMZUPXYNG-QFIPXVFZSA-N 1 0 410.518 4.008 20 5 HIBDRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000071950557 852442775 /nfs/dbraw/zinc/44/27/75/852442775.db2.gz MRUCDVYOUIYYTP-LJQANCHMSA-N 1 0 409.486 4.004 20 5 HIBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437163319 862357433 /nfs/dbraw/zinc/35/74/33/862357433.db2.gz MERXYLTVUSHTPL-OAHLLOKOSA-N 1 0 413.421 4.242 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109853278 853024077 /nfs/dbraw/zinc/02/40/77/853024077.db2.gz CCBRMJCPBOBKGT-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110478365 853105338 /nfs/dbraw/zinc/10/53/38/853105338.db2.gz WFBDVOZZKULIMK-INIZCTEOSA-N 1 0 412.421 4.042 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000140349432 853442570 /nfs/dbraw/zinc/44/25/70/853442570.db2.gz BARHCECFPXMXDZ-RYUDHWBXSA-N 1 0 411.380 4.300 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1csc(Br)c1 ZINC000166082975 853654040 /nfs/dbraw/zinc/65/40/40/853654040.db2.gz HFYFGNLAOMOHEX-UHFFFAOYSA-N 1 0 412.309 4.188 20 5 HIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CCc3ccccc3)CC2)c(Br)c1 ZINC000195632258 853726874 /nfs/dbraw/zinc/72/68/74/853726874.db2.gz RTLUVDVAMKMAQZ-UHFFFAOYSA-N 1 0 404.308 4.476 20 5 HIBDRO CSc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000195744385 853791266 /nfs/dbraw/zinc/79/12/66/853791266.db2.gz JQENWWZWCITUPU-UHFFFAOYSA-N 1 0 417.556 4.160 20 5 HIBDRO CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000216533714 853855058 /nfs/dbraw/zinc/85/50/58/853855058.db2.gz NBJJMPIRAAZQCA-UHFFFAOYSA-N 1 0 416.909 4.027 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000217061034 853859553 /nfs/dbraw/zinc/85/95/53/853859553.db2.gz LSCFVDWPRRJNCH-AUUYWEPGSA-N 1 0 422.510 4.483 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000217061130 853860534 /nfs/dbraw/zinc/86/05/34/853860534.db2.gz LSCFVDWPRRJNCH-LIRRHRJNSA-N 1 0 422.510 4.483 20 5 HIBDRO CCCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000236949737 853941575 /nfs/dbraw/zinc/94/15/75/853941575.db2.gz DTPYHMLWZBUDCO-UHFFFAOYSA-N 1 0 410.474 4.083 20 5 HIBDRO CN(CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)CC(F)(F)F ZINC000237088992 853963158 /nfs/dbraw/zinc/96/31/58/853963158.db2.gz WEFYWTHOFWMDNL-UHFFFAOYSA-N 1 0 405.804 4.482 20 5 HIBDRO COc1cc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237286592 853998432 /nfs/dbraw/zinc/99/84/32/853998432.db2.gz JCWSRIWRLXLONR-GOTSBHOMSA-N 1 0 414.502 4.213 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCN(c4ccccc4)C3)o2)c([N+](=O)[O-])c1 ZINC000237416604 854027952 /nfs/dbraw/zinc/02/79/52/854027952.db2.gz PTQNXVWYJWTQFR-KRWDZBQOSA-N 1 0 407.470 4.480 20 5 HIBDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)cn2)CCO1 ZINC000237546590 854052640 /nfs/dbraw/zinc/05/26/40/854052640.db2.gz LGXPAEHHURATIN-INIZCTEOSA-N 1 0 424.526 4.233 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3ccn(-c4ccc(F)cc4)n3)cs2)c1 ZINC000237716168 854082012 /nfs/dbraw/zinc/08/20/12/854082012.db2.gz JDUZPFDAQCQWHL-UHFFFAOYSA-N 1 0 423.473 4.375 20 5 HIBDRO Cn1cc(C[NH2+]CCCOc2cccc3cccnc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237758620 854089729 /nfs/dbraw/zinc/08/97/29/854089729.db2.gz NGEAQPCVGLFHTF-UHFFFAOYSA-N 1 0 417.469 4.102 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000237781077 854095824 /nfs/dbraw/zinc/09/58/24/854095824.db2.gz DJNHLNIBWQBAJC-JKSUJKDBSA-N 1 0 415.465 4.405 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c1 ZINC000237819421 854103025 /nfs/dbraw/zinc/10/30/25/854103025.db2.gz RBMAWISKCZSKAI-UHFFFAOYSA-N 1 0 420.441 4.437 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCN(c4ccc(F)cc4)C3)cs2)c1 ZINC000237865894 854110774 /nfs/dbraw/zinc/11/07/74/854110774.db2.gz SRJDIAAVSCLMCJ-OAHLLOKOSA-N 1 0 412.490 4.474 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccnc(-n3cccn3)c2)ccc1Oc1ccc(F)cc1 ZINC000237883360 854114835 /nfs/dbraw/zinc/11/48/35/854114835.db2.gz GEKDTSHXZBNHLA-UHFFFAOYSA-N 1 0 419.416 4.397 20 5 HIBDRO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000237914756 854118879 /nfs/dbraw/zinc/11/88/79/854118879.db2.gz NDNPJSSVZYCONC-UHFFFAOYSA-N 1 0 411.483 4.311 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931765 854121004 /nfs/dbraw/zinc/12/10/04/854121004.db2.gz MZDSGEKXRFUTLP-UHFFFAOYSA-N 1 0 422.485 4.240 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(N4CCSCC4)CCCC3)cs2)c1 ZINC000238005883 854132799 /nfs/dbraw/zinc/13/27/99/854132799.db2.gz FTIKANKYHLKUOX-UHFFFAOYSA-N 1 0 418.588 4.170 20 5 HIBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000251223130 854197309 /nfs/dbraw/zinc/19/73/09/854197309.db2.gz IOIXGUQQEGATMY-HNAYVOBHSA-N 1 0 400.866 4.396 20 5 HIBDRO CC(=O)c1ccc(Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000301144831 854310225 /nfs/dbraw/zinc/31/02/25/854310225.db2.gz FVENBDHCGBUTFS-UHFFFAOYSA-N 1 0 400.454 4.211 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301412952 854387355 /nfs/dbraw/zinc/38/73/55/854387355.db2.gz KWJNDHWBEVIMFB-FOIQADDNSA-N 1 0 414.531 4.044 20 5 HIBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)nnc1C1CC[NH2+]CC1 ZINC000301874846 854482463 /nfs/dbraw/zinc/48/24/63/854482463.db2.gz RLMSZTLWZKRJHH-UHFFFAOYSA-N 1 0 424.530 4.447 20 5 HIBDRO COc1ccccc1NC(=O)C1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302142106 854536600 /nfs/dbraw/zinc/53/66/00/854536600.db2.gz FTAAFOSUOQEHBS-UHFFFAOYSA-N 1 0 420.469 4.315 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000303046285 854737416 /nfs/dbraw/zinc/73/74/16/854737416.db2.gz QSXCTGUWNYTDAO-LJQANCHMSA-N 1 0 407.392 4.296 20 5 HIBDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000303540327 855025710 /nfs/dbraw/zinc/02/57/10/855025710.db2.gz JLPFYAHVTDTWMK-SFHVURJKSA-N 1 0 421.501 4.004 20 5 HIBDRO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000303594564 855067234 /nfs/dbraw/zinc/06/72/34/855067234.db2.gz WDDLYHBOLCGGJB-HNNXBMFYSA-N 1 0 410.946 4.019 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426235394 856194442 /nfs/dbraw/zinc/19/44/42/856194442.db2.gz GLDBWEPTRVAEBY-UHFFFAOYSA-N 1 0 408.502 4.065 20 5 HIBDRO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000426385803 856269532 /nfs/dbraw/zinc/26/95/32/856269532.db2.gz RKDUXIJIRNYTPJ-FQEVSTJZSA-N 1 0 423.513 4.264 20 5 HIBDRO Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000428906209 857406203 /nfs/dbraw/zinc/40/62/03/857406203.db2.gz KZJZKZWLXKHKGD-INIZCTEOSA-N 1 0 400.479 4.035 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000429423009 857658939 /nfs/dbraw/zinc/65/89/39/857658939.db2.gz XWZFMFCXWGNFNQ-ZBFHGGJFSA-N 1 0 407.308 4.168 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000429435205 857666111 /nfs/dbraw/zinc/66/61/11/857666111.db2.gz SQXAKYPKIPSLNL-LSDHHAIUSA-N 1 0 407.308 4.168 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430202874 858079988 /nfs/dbraw/zinc/07/99/88/858079988.db2.gz YSTBHEKYXAOEEP-GFCCVEGCSA-N 1 0 408.442 4.120 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000430201529 858080079 /nfs/dbraw/zinc/08/00/79/858080079.db2.gz KMMRUHPKDKMFJW-UHFFFAOYSA-N 1 0 423.513 4.007 20 5 HIBDRO C[C@H]1C[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430823558 858318096 /nfs/dbraw/zinc/31/80/96/858318096.db2.gz ODIMGCHELQXKAE-LAUBAEHRSA-N 1 0 421.501 4.130 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431671305 858728417 /nfs/dbraw/zinc/72/84/17/858728417.db2.gz SWGFQQBPDZHWQK-YLJYHZDGSA-N 1 0 410.518 4.182 20 5 HIBDRO CC(C)(NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431799498 858817529 /nfs/dbraw/zinc/81/75/29/858817529.db2.gz LRZYPJHZXGSGII-MRXNPFEDSA-N 1 0 416.547 4.103 20 5 HIBDRO CC(C)(NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431799496 858817549 /nfs/dbraw/zinc/81/75/49/858817549.db2.gz LRZYPJHZXGSGII-INIZCTEOSA-N 1 0 416.547 4.103 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000432463715 859174758 /nfs/dbraw/zinc/17/47/58/859174758.db2.gz WWBHDAAMISUOTJ-UHFFFAOYSA-N 1 0 408.502 4.423 20 5 HIBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433168083 859550502 /nfs/dbraw/zinc/55/05/02/859550502.db2.gz QGCACTVPSFXKTJ-SFTDATJTSA-N 1 0 409.486 4.225 20 5 HIBDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433239774 859585694 /nfs/dbraw/zinc/58/56/94/859585694.db2.gz LVYBVFRWHIJZRC-QRWLVFNGSA-N 1 0 402.516 4.078 20 5 HIBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000434325568 860285865 /nfs/dbraw/zinc/28/58/65/860285865.db2.gz JDUIJYPTAJLMLB-FQEVSTJZSA-N 1 0 419.485 4.107 20 5 HIBDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000434988454 860587344 /nfs/dbraw/zinc/58/73/44/860587344.db2.gz SHINTVCGXGSIFW-QGZVFWFLSA-N 1 0 417.893 4.389 20 5 HIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCN(c2cnccn2)CC1 ZINC000435061948 860622344 /nfs/dbraw/zinc/62/23/44/860622344.db2.gz VSXGQKSYXQMRSA-UHFFFAOYSA-N 1 0 409.515 4.214 20 5 HIBDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1)N1CCCC1 ZINC000435738559 861020396 /nfs/dbraw/zinc/02/03/96/861020396.db2.gz SOFQALGWBRIICU-CABCVRRESA-N 1 0 417.893 4.389 20 5 HIBDRO COC(=O)c1ccc(COc2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000437787621 863105551 /nfs/dbraw/zinc/10/55/51/863105551.db2.gz RJVQQPDQOJCPFR-UHFFFAOYSA-N 1 0 406.438 4.250 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437979255 863346518 /nfs/dbraw/zinc/34/65/18/863346518.db2.gz QUFNRNSTOYUZKR-GOSISDBHSA-N 1 0 422.529 4.494 20 5 HIBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000438528066 863954197 /nfs/dbraw/zinc/95/41/97/863954197.db2.gz LKGYWCGXIYMZBT-QHCPKHFHSA-N 1 0 421.522 4.310 20 5 HIBDRO C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000438540088 863966588 /nfs/dbraw/zinc/96/65/88/863966588.db2.gz INHKBFQATGHMJX-UHFFFAOYSA-N 1 0 406.866 4.014 20 5 HIBDRO Cc1c(CC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000439048993 864499761 /nfs/dbraw/zinc/49/97/61/864499761.db2.gz GQBCPHWZOSCAQA-FQEVSTJZSA-N 1 0 401.894 4.052 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000439155389 864587838 /nfs/dbraw/zinc/58/78/38/864587838.db2.gz PMMMBFLSTRMZQP-MAUKXSAKSA-N 1 0 401.894 4.197 20 5 HIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000440938776 866037242 /nfs/dbraw/zinc/03/72/42/866037242.db2.gz UCJVAPRXBSHOPP-UHFFFAOYSA-N 1 0 407.312 4.126 20 5 HIBDRO CN(C(=O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000442775297 867670916 /nfs/dbraw/zinc/67/09/16/867670916.db2.gz GDRUYILUAKFVQV-UHFFFAOYSA-N 1 0 409.408 4.187 20 5 HIBDRO COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071804 867810079 /nfs/dbraw/zinc/81/00/79/867810079.db2.gz QPRREAFBTFDBJW-OXJNMPFZSA-N 1 0 400.475 4.182 20 5 HIBDRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250671 882154245 /nfs/dbraw/zinc/15/42/45/882154245.db2.gz LPSPEKKGMCYRNP-HOTGVXAUSA-N 1 0 404.536 4.028 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443641466 868224834 /nfs/dbraw/zinc/22/48/34/868224834.db2.gz PRDUEMQKZKTZGY-INIZCTEOSA-N 1 0 403.866 4.039 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000443942618 868478823 /nfs/dbraw/zinc/47/88/23/868478823.db2.gz DDLHLOUUVIZTLO-UHFFFAOYSA-N 1 0 412.490 4.008 20 5 HIBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444012069 868534310 /nfs/dbraw/zinc/53/43/10/868534310.db2.gz UVKIEHGWIPIKEP-MRXNPFEDSA-N 1 0 423.532 4.451 20 5 HIBDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)n(C)n1 ZINC000444015397 868538203 /nfs/dbraw/zinc/53/82/03/868538203.db2.gz TXOXQZYBDWAKNJ-KRWDZBQOSA-N 1 0 411.531 4.124 20 5 HIBDRO CCOC1CC(O)(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000444016333 868540872 /nfs/dbraw/zinc/54/08/72/868540872.db2.gz YSLIPXRSSXMAEU-UHFFFAOYSA-N 1 0 406.866 4.060 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444032412 868564649 /nfs/dbraw/zinc/56/46/49/868564649.db2.gz KOOVGUUTMPAZNU-OALUTQOASA-N 1 0 417.553 4.408 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000444719739 868975092 /nfs/dbraw/zinc/97/50/92/868975092.db2.gz RMOJWLLTWIUDNW-QGZVFWFLSA-N 1 0 405.454 4.463 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000444903312 869091651 /nfs/dbraw/zinc/09/16/51/869091651.db2.gz XSEKTGKAYOHQLA-RXVVDRJESA-N 1 0 424.501 4.122 20 5 HIBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000445175830 869261522 /nfs/dbraw/zinc/26/15/22/869261522.db2.gz DKGZXAUTHXQNFJ-IBGZPJMESA-N 1 0 417.553 4.410 20 5 HIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445179012 869262499 /nfs/dbraw/zinc/26/24/99/869262499.db2.gz IUCCWMNMEYWDOV-UHFFFAOYSA-N 1 0 413.521 4.405 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(OC)c1 ZINC000446494672 870410709 /nfs/dbraw/zinc/41/07/09/870410709.db2.gz MXOFGQWBOLJVMP-HXUWFJFHSA-N 1 0 400.479 4.116 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000446838042 870756947 /nfs/dbraw/zinc/75/69/47/870756947.db2.gz DLCRRKAUACYAIC-IBGZPJMESA-N 1 0 405.502 4.476 20 5 HIBDRO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)n1 ZINC000446975627 870873807 /nfs/dbraw/zinc/87/38/07/870873807.db2.gz RYJHOULIFKYXKO-CQSZACIVSA-N 1 0 413.503 4.152 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000447517319 871386321 /nfs/dbraw/zinc/38/63/21/871386321.db2.gz KLKYOOCGMCKIRB-VQTJNVASSA-N 1 0 417.941 4.183 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cc(Cl)ccc2OC(F)F)n1 ZINC000447526590 871391228 /nfs/dbraw/zinc/39/12/28/871391228.db2.gz DCSYIZCDYRKPPB-ZIAGYGMSSA-N 1 0 400.813 4.320 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000447529262 871393315 /nfs/dbraw/zinc/39/33/15/871393315.db2.gz LABULNAASSFEGD-RTBURBONSA-N 1 0 418.925 4.266 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000447529261 871393999 /nfs/dbraw/zinc/39/39/99/871393999.db2.gz LABULNAASSFEGD-RBUKOAKNSA-N 1 0 418.925 4.266 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)n1 ZINC000447537455 871401132 /nfs/dbraw/zinc/40/11/32/871401132.db2.gz WBWYNQFEGOWSTK-PMACEKPBSA-N 1 0 411.437 4.391 20 5 HIBDRO CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447537737 871403330 /nfs/dbraw/zinc/40/33/30/871403330.db2.gz YGTKEZAMYVUIKA-HZPDHXFCSA-N 1 0 408.886 4.126 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccnc(OCc3ccccc3)c2)n1 ZINC000447545013 871411369 /nfs/dbraw/zinc/41/13/69/871411369.db2.gz QEAFOCFRMPOHHJ-WOJBJXKFSA-N 1 0 407.474 4.039 20 5 HIBDRO COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543787 871411903 /nfs/dbraw/zinc/41/19/03/871411903.db2.gz MIXTXBKCYNROQW-UXHICEINSA-N 1 0 423.473 4.261 20 5 HIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000447549174 871424021 /nfs/dbraw/zinc/42/40/21/871424021.db2.gz DCGWPMIDAPDXGE-FDDCHVKYSA-N 1 0 423.517 4.140 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCc2nc(-c3ccncc3)cs2)n1 ZINC000447583476 871490842 /nfs/dbraw/zinc/49/08/42/871490842.db2.gz BNLDHSMFGLNCMM-FUHWJXTLSA-N 1 0 412.519 4.016 20 5 HIBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000447723275 871668915 /nfs/dbraw/zinc/66/89/15/871668915.db2.gz OARPNACFSXYFMA-OAHLLOKOSA-N 1 0 421.906 4.364 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000447726382 871674052 /nfs/dbraw/zinc/67/40/52/871674052.db2.gz GOAQLHCZSDPEDM-BLLLJJGKSA-N 1 0 419.865 4.039 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@@H](CO)[C@H]3CCCO3)cc2[N+](=O)[O-])c1 ZINC000447983798 871834860 /nfs/dbraw/zinc/83/48/60/871834860.db2.gz UFOBIZUHTQGXSD-PZJWPPBQSA-N 1 0 414.502 4.448 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]([NH2+]CCCCF)c1ccccc1 ZINC000461095218 874012150 /nfs/dbraw/zinc/01/21/50/874012150.db2.gz CEMXOHBDUSHVOC-KRWDZBQOSA-N 1 0 424.270 4.376 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000468651200 882787384 /nfs/dbraw/zinc/78/73/84/882787384.db2.gz AZVJSJCHLSOSMV-GHRIWEEISA-N 1 0 402.454 4.435 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000468653259 882790194 /nfs/dbraw/zinc/79/01/94/882790194.db2.gz OHNBSIQYWSLUJJ-QPEQYQDCSA-N 1 0 401.264 4.198 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)C2CCOCC2)ccc1Oc1ccccc1Cl ZINC000461420279 874443534 /nfs/dbraw/zinc/44/35/34/874443534.db2.gz PNMWGDFATDSPLA-SFHVURJKSA-N 1 0 420.893 4.308 20 5 HIBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000461433608 874481632 /nfs/dbraw/zinc/48/16/32/874481632.db2.gz WUXUEEVLAGTEAK-LEWJYISDSA-N 1 0 407.514 4.312 20 5 HIBDRO Cc1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461443323 874499146 /nfs/dbraw/zinc/49/91/46/874499146.db2.gz ODXORECBPOEJPJ-NRFANRHFSA-N 1 0 403.486 4.031 20 5 HIBDRO Cc1cc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000461780665 874903480 /nfs/dbraw/zinc/90/34/80/874903480.db2.gz UMJQWIGYZDBYIX-UHFFFAOYSA-N 1 0 417.481 4.144 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C[C@@H](C)O1 ZINC000462086219 875195033 /nfs/dbraw/zinc/19/50/33/875195033.db2.gz DZDXSASFPDZBBV-HUUCEWRRSA-N 1 0 421.444 4.418 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000462604491 875717708 /nfs/dbraw/zinc/71/77/08/875717708.db2.gz TZPGNTRLRGDDFE-OAQYLSRUSA-N 1 0 424.545 4.324 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462629793 875741629 /nfs/dbraw/zinc/74/16/29/875741629.db2.gz XLGXFRPYCAQNTA-BWAGFHJFSA-N 1 0 409.530 4.333 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000462641896 875752548 /nfs/dbraw/zinc/75/25/48/875752548.db2.gz OFHRLTOPBWMSRM-WOIUINJBSA-N 1 0 423.557 4.436 20 5 HIBDRO COc1ccc(-c2ccc(CNc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)o2)c([N+](=O)[O-])c1 ZINC000462857142 875891152 /nfs/dbraw/zinc/89/11/52/875891152.db2.gz RWIQKUIJPWDHLI-SFHVURJKSA-N 1 0 423.469 4.042 20 5 HIBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885773 875913762 /nfs/dbraw/zinc/91/37/62/875913762.db2.gz UGCPYMKMWWTVBR-LAUBAEHRSA-N 1 0 423.542 4.339 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463027929 876046686 /nfs/dbraw/zinc/04/66/86/876046686.db2.gz HZOKAIFFNIKUHL-CQSZACIVSA-N 1 0 423.307 4.278 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463247887 876305030 /nfs/dbraw/zinc/30/50/30/876305030.db2.gz YMNPTHHONHONDH-UHFFFAOYSA-N 1 0 407.392 4.008 20 5 HIBDRO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000463283721 876341214 /nfs/dbraw/zinc/34/12/14/876341214.db2.gz PDIQZXWIWKSQSC-UHFFFAOYSA-N 1 0 408.285 4.296 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000463578657 876678062 /nfs/dbraw/zinc/67/80/62/876678062.db2.gz VLOYDRMAYDYKEX-IBGZPJMESA-N 1 0 421.419 4.489 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463709822 876829026 /nfs/dbraw/zinc/82/90/26/876829026.db2.gz LGEKMLGGJGLRNA-MRXNPFEDSA-N 1 0 407.392 4.008 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000463964870 877091456 /nfs/dbraw/zinc/09/14/56/877091456.db2.gz OPALRVCXBMRIIK-UHFFFAOYSA-N 1 0 410.518 4.384 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[NH+]1CCCC1 ZINC000463971527 877097940 /nfs/dbraw/zinc/09/79/40/877097940.db2.gz CUOAGKAUZWWIJE-FQEVSTJZSA-N 1 0 412.490 4.179 20 5 HIBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000464677131 877894332 /nfs/dbraw/zinc/89/43/32/877894332.db2.gz LOMICPBOMILTQC-QFBILLFUSA-N 1 0 401.482 4.227 20 5 HIBDRO COc1cc(C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c([N+](=O)[O-])cc1F ZINC000464680099 877896664 /nfs/dbraw/zinc/89/66/64/877896664.db2.gz LZOWAEBNDKWMAB-UHFFFAOYSA-N 1 0 416.428 4.336 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000464777725 878020967 /nfs/dbraw/zinc/02/09/67/878020967.db2.gz NDUHZFFKZZAMRI-UHFFFAOYSA-N 1 0 408.458 4.121 20 5 HIBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000464969586 878309383 /nfs/dbraw/zinc/30/93/83/878309383.db2.gz AOBIFSIBMJLHIC-LJQANCHMSA-N 1 0 409.530 4.486 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)C1 ZINC000465191607 878588265 /nfs/dbraw/zinc/58/82/65/878588265.db2.gz MCFYGQISQIKRIE-OAHLLOKOSA-N 1 0 409.442 4.314 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccs1 ZINC000467220903 880950261 /nfs/dbraw/zinc/95/02/61/880950261.db2.gz YCJSZDNGHZBOGL-RDTXWAMCSA-N 1 0 422.938 4.192 20 5 HIBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1OC ZINC000469939531 884134814 /nfs/dbraw/zinc/13/48/14/884134814.db2.gz QTIHATOVKCARCR-UHFFFAOYSA-N 1 0 401.463 4.096 20 5 HIBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471003760 885505202 /nfs/dbraw/zinc/50/52/02/885505202.db2.gz ANARAYSAIWIRQN-SFHVURJKSA-N 1 0 409.408 4.393 20 5 HIBDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000471038017 885546984 /nfs/dbraw/zinc/54/69/84/885546984.db2.gz IOJHSTACSUYUOU-WMZHIEFXSA-N 1 0 424.545 4.247 20 5 HIBDRO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000471547776 886256478 /nfs/dbraw/zinc/25/64/78/886256478.db2.gz OEANJURMXMKRSO-DJJJIMSYSA-N 1 0 407.923 4.148 20 5 HIBDRO CCC(O)(CC)CC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000471561638 886269156 /nfs/dbraw/zinc/26/91/56/886269156.db2.gz AJUSHMCPHBZYIA-IBGZPJMESA-N 1 0 419.909 4.459 20 5 HIBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000472025404 886847932 /nfs/dbraw/zinc/84/79/32/886847932.db2.gz AHVPAWQJWUTGKF-UHFFFAOYSA-N 1 0 424.545 4.025 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472350744 887186805 /nfs/dbraw/zinc/18/68/05/887186805.db2.gz QPXGNNLMCCIVNU-QKKBWIMNSA-N 1 0 401.438 4.154 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCc3ccccn3)cc2)n1 ZINC000472634053 887499378 /nfs/dbraw/zinc/49/93/78/887499378.db2.gz ABVXBXLNOAQDKK-RTWAWAEBSA-N 1 0 407.474 4.039 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(OCc3ccccn3)cc2)n1 ZINC000472634054 887499424 /nfs/dbraw/zinc/49/94/24/887499424.db2.gz ABVXBXLNOAQDKK-SFTDATJTSA-N 1 0 407.474 4.039 20 5 HIBDRO CC(C)([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1F ZINC000473427124 888146935 /nfs/dbraw/zinc/14/69/35/888146935.db2.gz LNYQFVXJPCPOGQ-UHFFFAOYSA-N 1 0 407.829 4.210 20 5 HIBDRO CC(C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC(F)(F)F)cc1 ZINC000473997305 888856992 /nfs/dbraw/zinc/85/69/92/888856992.db2.gz VDEZEOPGZVFQBD-UHFFFAOYSA-N 1 0 412.364 4.385 20 5 HIBDRO CC(C)c1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000474149125 888978827 /nfs/dbraw/zinc/97/88/27/888978827.db2.gz ZEZWYFPXHVDLOA-UHFFFAOYSA-N 1 0 410.518 4.492 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000474359826 889239103 /nfs/dbraw/zinc/23/91/03/889239103.db2.gz FINONMWFNZHMRC-OAHLLOKOSA-N 1 0 422.890 4.127 20 5 HIBDRO COc1c(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000474572595 889447642 /nfs/dbraw/zinc/44/76/42/889447642.db2.gz CLZFXKRDDTYVEO-UHFFFAOYSA-N 1 0 419.481 4.262 20 5 HIBDRO COc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000475193240 890062925 /nfs/dbraw/zinc/06/29/25/890062925.db2.gz BODULINOQBHYOF-UHFFFAOYSA-N 1 0 419.428 4.337 20 5 HIBDRO COc1cc(C[NH2+]CCc2cccc(C)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475280422 890177766 /nfs/dbraw/zinc/17/77/66/890177766.db2.gz NHWYGVFUMZBMGZ-UHFFFAOYSA-N 1 0 407.470 4.218 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@](C)(OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475292592 890196530 /nfs/dbraw/zinc/19/65/30/890196530.db2.gz TXZPBUJWCPMHEF-QFIPXVFZSA-N 1 0 400.475 4.183 20 5 HIBDRO Cc1ccc([C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000475338988 890260121 /nfs/dbraw/zinc/26/01/21/890260121.db2.gz PHOHXQQMVHIBSJ-UZUQRXQVSA-N 1 0 404.470 4.395 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@]3(CO)Cc3ccccc3)cs2)c1 ZINC000475375181 890304205 /nfs/dbraw/zinc/30/42/05/890304205.db2.gz OZUJJEQHIJNHIV-JOCHJYFZSA-N 1 0 409.511 4.288 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000475567056 890498133 /nfs/dbraw/zinc/49/81/33/890498133.db2.gz VZVIRWPZLOGXDQ-UHFFFAOYSA-N 1 0 410.518 4.384 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475718151 890656707 /nfs/dbraw/zinc/65/67/07/890656707.db2.gz XPQLXMZGOKWJEO-GFCCVEGCSA-N 1 0 401.394 4.168 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000504893214 913622735 /nfs/dbraw/zinc/62/27/35/913622735.db2.gz CYXYNKQKESAAKE-KBPBESRZSA-N 1 0 404.463 4.431 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000504894802 913625434 /nfs/dbraw/zinc/62/54/34/913625434.db2.gz OHYISVCLUWMTTQ-FUHWJXTLSA-N 1 0 421.588 4.190 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1[N+](=O)[O-] ZINC000504905082 913639078 /nfs/dbraw/zinc/63/90/78/913639078.db2.gz BUXNKWGCQFWBRS-KRWDZBQOSA-N 1 0 407.470 4.054 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000504906475 913641310 /nfs/dbraw/zinc/64/13/10/913641310.db2.gz YQHRPTIVILAXIB-HXUWFJFHSA-N 1 0 423.538 4.465 20 5 HIBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000477290296 892249250 /nfs/dbraw/zinc/24/92/50/892249250.db2.gz OLTPZXSRGCGKFX-SFHVURJKSA-N 1 0 404.555 4.415 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000504911106 913644521 /nfs/dbraw/zinc/64/45/21/913644521.db2.gz AMDZVPUSJNDGKK-VGSWGCGISA-N 1 0 413.518 4.490 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000477610319 892699759 /nfs/dbraw/zinc/69/97/59/892699759.db2.gz QGQJBBVWPSKYSV-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053972 893205789 /nfs/dbraw/zinc/20/57/89/893205789.db2.gz NWNQVNOGZZVEFC-IEBWSBKVSA-N 1 0 416.566 4.207 20 5 HIBDRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000479427001 894739760 /nfs/dbraw/zinc/73/97/60/894739760.db2.gz WNQGEPVSWVCQFK-UHFFFAOYSA-N 1 0 407.392 4.008 20 5 HIBDRO CCOc1ccc([C@@H](C)N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000479509726 894822964 /nfs/dbraw/zinc/82/29/64/894822964.db2.gz COAHKDDLKUVVHN-DOMZBBRYSA-N 1 0 414.380 4.276 20 5 HIBDRO Cc1c(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480057305 895404413 /nfs/dbraw/zinc/40/44/13/895404413.db2.gz UQZXFYRKWFFYGX-LAUBAEHRSA-N 1 0 410.518 4.098 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480125155 895499854 /nfs/dbraw/zinc/49/98/54/895499854.db2.gz NNOSAXJXHWYUFH-GUYCJALGSA-N 1 0 420.428 4.228 20 5 HIBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000480427023 895821858 /nfs/dbraw/zinc/82/18/58/895821858.db2.gz UPJMNBKOHWPODH-UHFFFAOYSA-N 1 0 418.497 4.121 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C(C)C)C(C)(C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000480456893 895843590 /nfs/dbraw/zinc/84/35/90/895843590.db2.gz UBZCZHBLAJUYEO-NRFANRHFSA-N 1 0 402.491 4.068 20 5 HIBDRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000481007045 896338798 /nfs/dbraw/zinc/33/87/98/896338798.db2.gz YETWMWQKNRFSII-KKSFZXQISA-N 1 0 414.506 4.045 20 5 HIBDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481209488 896561497 /nfs/dbraw/zinc/56/14/97/896561497.db2.gz ZBUJAXDWMKJBJY-LLGFUMIMSA-N 1 0 421.501 4.206 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481394046 896800937 /nfs/dbraw/zinc/80/09/37/896800937.db2.gz UDOJAKMVCDRBPD-ZMZPIMSZSA-N 1 0 412.273 4.206 20 5 HIBDRO CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481583827 896962674 /nfs/dbraw/zinc/96/26/74/896962674.db2.gz QXFVDYIBRHHRRG-NRFANRHFSA-N 1 0 419.547 4.255 20 5 HIBDRO CNC(=O)C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000481813129 897187742 /nfs/dbraw/zinc/18/77/42/897187742.db2.gz HFAHVJNNYJZBGQ-OAQYLSRUSA-N 1 0 418.497 4.330 20 5 HIBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481850219 897217147 /nfs/dbraw/zinc/21/71/47/897217147.db2.gz VEJVJNSRMUENRA-PXNSSMCTSA-N 1 0 413.905 4.375 20 5 HIBDRO CCC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482256651 897738371 /nfs/dbraw/zinc/73/83/71/897738371.db2.gz NFEITABSEYCBEG-RBUKOAKNSA-N 1 0 401.532 4.451 20 5 HIBDRO CCC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000482264823 897750863 /nfs/dbraw/zinc/75/08/63/897750863.db2.gz NJOCXTYUAXPAPB-YWZLYKJASA-N 1 0 405.520 4.037 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000482281456 897774588 /nfs/dbraw/zinc/77/45/88/897774588.db2.gz UCAKXIMWKHPNLA-UHFFFAOYSA-N 1 0 401.894 4.410 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CC(C)(C)O[C@]4(CCCOC4)C3)o2)c([N+](=O)[O-])c1 ZINC000482447346 898012368 /nfs/dbraw/zinc/01/23/68/898012368.db2.gz DXSCPIXRQGDPPT-JOCHJYFZSA-N 1 0 416.474 4.023 20 5 HIBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000483117676 898807140 /nfs/dbraw/zinc/80/71/40/898807140.db2.gz HSHOGCBHLHFGOC-UHFFFAOYSA-N 1 0 411.527 4.350 20 5 HIBDRO C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H](c1ccccc1)[NH+](C)C ZINC000505592066 914299795 /nfs/dbraw/zinc/29/97/95/914299795.db2.gz QSVNECRZIPSJFJ-IQMFZBJNSA-N 1 0 417.484 4.242 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000483710564 899367236 /nfs/dbraw/zinc/36/72/36/899367236.db2.gz IABGUPZXHXGJDQ-SCLBCKFNSA-N 1 0 405.401 4.042 20 5 HIBDRO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000484330838 899883894 /nfs/dbraw/zinc/88/38/94/899883894.db2.gz UXRJDVDVRJUYAS-QGZVFWFLSA-N 1 0 424.482 4.030 20 5 HIBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000484412856 899933593 /nfs/dbraw/zinc/93/35/93/899933593.db2.gz IQVJWCCEHGTLSN-UHFFFAOYSA-N 1 0 401.429 4.388 20 5 HIBDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000484484786 899977160 /nfs/dbraw/zinc/97/71/60/899977160.db2.gz ONEWUQDLFUXYSH-KRWDZBQOSA-N 1 0 417.893 4.196 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1SC ZINC000484594790 900057151 /nfs/dbraw/zinc/05/71/51/900057151.db2.gz UWMNBNQROHJDFB-UHFFFAOYSA-N 1 0 417.531 4.096 20 5 HIBDRO CSc1cccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000485894204 901127546 /nfs/dbraw/zinc/12/75/46/901127546.db2.gz AEWWPCSSIVQYFJ-GFCCVEGCSA-N 1 0 406.533 4.257 20 5 HIBDRO O=C(c1cc(NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000486449281 901608772 /nfs/dbraw/zinc/60/87/72/901608772.db2.gz IUNVQUPVAPCACN-IBGZPJMESA-N 1 0 414.531 4.141 20 5 HIBDRO CSc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000486478550 901637479 /nfs/dbraw/zinc/63/74/79/901637479.db2.gz LSHQGQKCKHXSPJ-INIZCTEOSA-N 1 0 413.543 4.479 20 5 HIBDRO CSc1cccc(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1[N+](=O)[O-] ZINC000486486415 901642787 /nfs/dbraw/zinc/64/27/87/901642787.db2.gz JNRLAZORXYLARX-UHFFFAOYSA-N 1 0 413.543 4.479 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000486753922 901830632 /nfs/dbraw/zinc/83/06/32/901830632.db2.gz QVELKXWTNAWHMR-SJORKVTESA-N 1 0 405.564 4.433 20 5 HIBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486888596 901934096 /nfs/dbraw/zinc/93/40/96/901934096.db2.gz SHCJUJPOKBXGDF-HOCLYGCPSA-N 1 0 402.882 4.280 20 5 HIBDRO CC(C)(C)CC(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000487191314 902094865 /nfs/dbraw/zinc/09/48/65/902094865.db2.gz SKKJXJZVOXQCNO-UHFFFAOYSA-N 1 0 401.429 4.130 20 5 HIBDRO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000487496688 902226147 /nfs/dbraw/zinc/22/61/47/902226147.db2.gz YZQSGCBWHGVUFJ-LJQANCHMSA-N 1 0 411.527 4.446 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487810585 902379615 /nfs/dbraw/zinc/37/96/15/902379615.db2.gz RWFLRDLVWYKGEH-MSOLQXFVSA-N 1 0 405.564 4.190 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000487845612 902403600 /nfs/dbraw/zinc/40/36/00/902403600.db2.gz XALQYOJUJOIVOR-CVEARBPZSA-N 1 0 406.442 4.460 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487869180 902415852 /nfs/dbraw/zinc/41/58/52/902415852.db2.gz DHYIXISSRFWQOK-DLBZAZTESA-N 1 0 423.941 4.130 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000487891864 902432561 /nfs/dbraw/zinc/43/25/61/902432561.db2.gz DGYLFAQONYRTMJ-HOTGVXAUSA-N 1 0 406.442 4.460 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000505965683 914625250 /nfs/dbraw/zinc/62/52/50/914625250.db2.gz WIVPJSTXYNMHSG-UHFFFAOYSA-N 1 0 401.532 4.479 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000488421518 902819018 /nfs/dbraw/zinc/81/90/18/902819018.db2.gz RXQZBZSQUBNIFC-UHFFFAOYSA-N 1 0 414.531 4.019 20 5 HIBDRO CC(C)(C)c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000488921866 903076824 /nfs/dbraw/zinc/07/68/24/903076824.db2.gz WIVQELOPHVTMKZ-UHFFFAOYSA-N 1 0 413.493 4.426 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000489293092 903314762 /nfs/dbraw/zinc/31/47/62/903314762.db2.gz PWLFLSXHNJIDFO-MRXNPFEDSA-N 1 0 414.481 4.067 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000489418377 903376012 /nfs/dbraw/zinc/37/60/12/903376012.db2.gz KMCYMYITIOCKRP-UHFFFAOYSA-N 1 0 411.483 4.185 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000489600619 903489899 /nfs/dbraw/zinc/48/98/99/903489899.db2.gz VFZUDDQGCVAUKY-UTKZUKDTSA-N 1 0 413.543 4.337 20 5 HIBDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000489945412 903690321 /nfs/dbraw/zinc/69/03/21/903690321.db2.gz ALPOXWGSGHUNTA-HXUWFJFHSA-N 1 0 420.460 4.098 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797048 904241806 /nfs/dbraw/zinc/24/18/06/904241806.db2.gz NNFINDGSVWLDCN-FUHWJXTLSA-N 1 0 413.543 4.347 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506099428 914803071 /nfs/dbraw/zinc/80/30/71/914803071.db2.gz QIAXEKQQHDEGLH-HXUWFJFHSA-N 1 0 420.469 4.104 20 5 HIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000491138864 904450067 /nfs/dbraw/zinc/45/00/67/904450067.db2.gz QIZQPVDRXLPPCG-HNNXBMFYSA-N 1 0 400.385 4.303 20 5 HIBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000491288201 904518427 /nfs/dbraw/zinc/51/84/27/904518427.db2.gz DCOXQWBHQDUMPF-HXUWFJFHSA-N 1 0 422.529 4.011 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c2ccccc2)c1 ZINC000491356262 904553492 /nfs/dbraw/zinc/55/34/92/904553492.db2.gz LEMWFWXVLJTVIM-LOSJGSFVSA-N 1 0 417.509 4.347 20 5 HIBDRO Cn1c(=O)c(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc2ccccc21 ZINC000491428532 904592119 /nfs/dbraw/zinc/59/21/19/904592119.db2.gz FVTBHHYYHBCIAO-UHFFFAOYSA-N 1 0 405.479 4.465 20 5 HIBDRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506163224 914829957 /nfs/dbraw/zinc/82/99/57/914829957.db2.gz IWEGUERFTNXISP-UHFFFAOYSA-N 1 0 421.453 4.411 20 5 HIBDRO COc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515567 904863137 /nfs/dbraw/zinc/86/31/37/904863137.db2.gz OFJVYKIIHWZFJN-IBGZPJMESA-N 1 0 420.391 4.198 20 5 HIBDRO Cn1cc(C[N@H+](C)Cc2cccc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506221024 914850369 /nfs/dbraw/zinc/85/03/69/914850369.db2.gz YBBSWGLHYSMJGR-UHFFFAOYSA-N 1 0 415.291 4.390 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492960439 904968245 /nfs/dbraw/zinc/96/82/45/904968245.db2.gz MGMFJAGYKMHKMK-UYAOXDASSA-N 1 0 410.518 4.128 20 5 HIBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000493260589 905070996 /nfs/dbraw/zinc/07/09/96/905070996.db2.gz SNYMCEWNHMLANS-UHFFFAOYSA-N 1 0 411.502 4.119 20 5 HIBDRO Cc1ccc([C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493279606 905078334 /nfs/dbraw/zinc/07/83/34/905078334.db2.gz YZJCSBHHXLOVNU-QHCPKHFHSA-N 1 0 424.522 4.228 20 5 HIBDRO C[C@H]1[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494069338 905407077 /nfs/dbraw/zinc/40/70/77/905407077.db2.gz OJQWDYQQXQKNKW-LAUBAEHRSA-N 1 0 416.481 4.050 20 5 HIBDRO C[C@H]1[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000494070075 905408798 /nfs/dbraw/zinc/40/87/98/905408798.db2.gz UQQCMTQLDRKBQP-HTAPYJJXSA-N 1 0 411.505 4.074 20 5 HIBDRO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000494257719 905581777 /nfs/dbraw/zinc/58/17/77/905581777.db2.gz TZLGRLWEDKCXRH-ZWKOTPCHSA-N 1 0 411.502 4.024 20 5 HIBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000512444511 921166064 /nfs/dbraw/zinc/16/60/64/921166064.db2.gz PQNQNVWBXFFBJG-QGZVFWFLSA-N 1 0 400.454 4.076 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494427333 905713923 /nfs/dbraw/zinc/71/39/23/905713923.db2.gz SOLSCCVHDDGSID-GJZGRUSLSA-N 1 0 412.519 4.305 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494458769 905741669 /nfs/dbraw/zinc/74/16/69/905741669.db2.gz SOUQRHWUKLMWKQ-FXAWDEMLSA-N 1 0 403.866 4.005 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494490463 905774433 /nfs/dbraw/zinc/77/44/33/905774433.db2.gz GWTNGXSQLSCCAQ-UYAOXDASSA-N 1 0 403.866 4.005 20 5 HIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1Cl ZINC000495416376 906438183 /nfs/dbraw/zinc/43/81/83/906438183.db2.gz ZJLGRQBOEQFVEB-LBPRGKRZSA-N 1 0 406.273 4.376 20 5 HIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCc2nccn2C)cc1 ZINC000495439886 906452396 /nfs/dbraw/zinc/45/23/96/906452396.db2.gz OKIRVRCVTNFEST-HNNXBMFYSA-N 1 0 414.893 4.454 20 5 HIBDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512706297 921293303 /nfs/dbraw/zinc/29/33/03/921293303.db2.gz YAUOXRKUYWGICO-NRFANRHFSA-N 1 0 406.486 4.211 20 5 HIBDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512706298 921293340 /nfs/dbraw/zinc/29/33/40/921293340.db2.gz YAUOXRKUYWGICO-OAQYLSRUSA-N 1 0 406.486 4.211 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2(O)CCOCC2)ccc1Oc1ccccc1Cl ZINC000512858577 921361559 /nfs/dbraw/zinc/36/15/59/921361559.db2.gz XDQMYNPTWAQAEI-UHFFFAOYSA-N 1 0 406.866 4.062 20 5 HIBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000512885280 921379491 /nfs/dbraw/zinc/37/94/91/921379491.db2.gz NMELXMPWZZNUHI-OLZOCXBDSA-N 1 0 409.280 4.380 20 5 HIBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512895944 921389432 /nfs/dbraw/zinc/38/94/32/921389432.db2.gz RXZLFNYTXJMCMM-IEBWSBKVSA-N 1 0 406.486 4.210 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCn2cc(Br)cn2)s1 ZINC000513001419 921466199 /nfs/dbraw/zinc/46/61/99/921466199.db2.gz HBAJALRGLKJWSS-UHFFFAOYSA-N 1 0 407.293 4.072 20 5 HIBDRO COc1ccc2[nH]cc(C3=CC[N@H+](CCC(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000500124440 909607083 /nfs/dbraw/zinc/60/70/83/909607083.db2.gz NQCYCVBMFSDCJJ-UHFFFAOYSA-N 1 0 420.469 4.203 20 5 HIBDRO Cc1nc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000500253755 909740271 /nfs/dbraw/zinc/74/02/71/909740271.db2.gz ZYWAGQDLMUNXKE-UHFFFAOYSA-N 1 0 417.469 4.385 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000500570858 909935209 /nfs/dbraw/zinc/93/52/09/909935209.db2.gz MSQBFMFOKOXVAS-UHFFFAOYSA-N 1 0 420.897 4.291 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000513091269 921541112 /nfs/dbraw/zinc/54/11/12/921541112.db2.gz ZBDCMSMTBTYXHX-SFHVURJKSA-N 1 0 419.481 4.497 20 5 HIBDRO CC1(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOCC1 ZINC000500858847 910132239 /nfs/dbraw/zinc/13/22/39/910132239.db2.gz MYJYTUZJFJGFMJ-IBGZPJMESA-N 1 0 417.893 4.334 20 5 HIBDRO C[C@@H](c1ccccc1Br)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501040457 910255394 /nfs/dbraw/zinc/25/53/94/910255394.db2.gz ZYKADJOVJHMFPT-ZDUSSCGKSA-N 1 0 406.280 4.379 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513123083 921568000 /nfs/dbraw/zinc/56/80/00/921568000.db2.gz RMGONDXDPIKGSF-HXUWFJFHSA-N 1 0 420.469 4.104 20 5 HIBDRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC=Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000501717319 910785570 /nfs/dbraw/zinc/78/55/70/910785570.db2.gz UHFFTQNFYMZLFZ-HIZXUYSRSA-N 1 0 423.517 4.339 20 5 HIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502354430 911333387 /nfs/dbraw/zinc/33/33/87/911333387.db2.gz OKQZNCGOIAWOOX-RDJZCZTQSA-N 1 0 411.506 4.387 20 5 HIBDRO C[N@H+](CC1CCOCC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000502553221 911561585 /nfs/dbraw/zinc/56/15/85/911561585.db2.gz LBTNYWLQFZXKHT-HXUWFJFHSA-N 1 0 417.893 4.286 20 5 HIBDRO O=C(c1ccccc1F)N1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506434983 915037294 /nfs/dbraw/zinc/03/72/94/915037294.db2.gz ZBQMZYVGEUWVBS-UHFFFAOYSA-N 1 0 423.444 4.342 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000506474780 915074653 /nfs/dbraw/zinc/07/46/53/915074653.db2.gz POWCYSJCGABJFL-MOPGFXCFSA-N 1 0 412.534 4.379 20 5 HIBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000513395868 921766150 /nfs/dbraw/zinc/76/61/50/921766150.db2.gz AYMSDTJDSLRNKR-IBGZPJMESA-N 1 0 423.469 4.344 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000507250369 916012071 /nfs/dbraw/zinc/01/20/71/916012071.db2.gz DNHFFKXKTJIOQC-AWEZNQCLSA-N 1 0 411.437 4.421 20 5 HIBDRO C[N@H+](CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000507476335 916246541 /nfs/dbraw/zinc/24/65/41/916246541.db2.gz FOGNAJULFJPVIS-UHFFFAOYSA-N 1 0 418.497 4.069 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)cs1 ZINC000507845572 916660912 /nfs/dbraw/zinc/66/09/12/916660912.db2.gz QDNDDRUKGLDDRL-UHFFFAOYSA-N 1 0 405.483 4.253 20 5 HIBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000507931758 916805358 /nfs/dbraw/zinc/80/53/58/916805358.db2.gz YFHRHFKBBDDIIB-JKSUJKDBSA-N 1 0 401.532 4.447 20 5 HIBDRO C[N@H+](CCc1cnccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000508656294 917421436 /nfs/dbraw/zinc/42/14/36/917421436.db2.gz MNIMWBWHIRGVSK-UHFFFAOYSA-N 1 0 417.263 4.082 20 5 HIBDRO CCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509186520 917894912 /nfs/dbraw/zinc/89/49/12/917894912.db2.gz RDSSFNBXKORUHY-LJQANCHMSA-N 1 0 411.502 4.120 20 5 HIBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000509598760 918248098 /nfs/dbraw/zinc/24/80/98/918248098.db2.gz GOLHYZAWCHBLDG-AWEZNQCLSA-N 1 0 403.866 4.141 20 5 HIBDRO C[C@H](NC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000509760713 918375165 /nfs/dbraw/zinc/37/51/65/918375165.db2.gz HGEQYOULUCZPEA-CMKODMSKSA-N 1 0 410.518 4.256 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000510086074 918652053 /nfs/dbraw/zinc/65/20/53/918652053.db2.gz OQBWTKWAUFPSEQ-WBVHZDCISA-N 1 0 401.894 4.279 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000510114813 918676026 /nfs/dbraw/zinc/67/60/26/918676026.db2.gz AEHSJZVASXNYLK-WMZOPIPTSA-N 1 0 415.921 4.208 20 5 HIBDRO CCOC(=O)C(C)(C)C1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510122888 918682838 /nfs/dbraw/zinc/68/28/38/918682838.db2.gz DDUHCPVQFXUFRB-CQSZACIVSA-N 1 0 416.478 4.007 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000510550760 918995572 /nfs/dbraw/zinc/99/55/72/918995572.db2.gz SMBFXLPQBJEBRV-UGSOOPFHSA-N 1 0 420.307 4.087 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510944920 919474795 /nfs/dbraw/zinc/47/47/95/919474795.db2.gz ATKBAIPLTLZOAD-PGRDOPGGSA-N 1 0 424.545 4.202 20 5 HIBDRO CC(C)CN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000511056267 919652613 /nfs/dbraw/zinc/65/26/13/919652613.db2.gz KTWODJMOHUANHJ-UHFFFAOYSA-N 1 0 416.566 4.024 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511233768 919838387 /nfs/dbraw/zinc/83/83/87/919838387.db2.gz MYQPRZAJKYBAMC-MJGOQNOKSA-N 1 0 402.539 4.168 20 5 HIBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000511713343 920379222 /nfs/dbraw/zinc/37/92/22/920379222.db2.gz OKMFTZJEHJAYTA-LJQANCHMSA-N 1 0 413.543 4.347 20 5 HIBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)CC1 ZINC000512116372 920869577 /nfs/dbraw/zinc/86/95/77/920869577.db2.gz SXYRKIBMPWQDEQ-UHFFFAOYSA-N 1 0 410.521 4.388 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512230518 920984695 /nfs/dbraw/zinc/98/46/95/920984695.db2.gz SPASTRQJGMSVMV-INIZCTEOSA-N 1 0 408.380 4.010 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCC1CCOCC1)c1ccccc1 ZINC000512232632 920986602 /nfs/dbraw/zinc/98/66/02/920986602.db2.gz CVOANMKOTLFWFO-FQEVSTJZSA-N 1 0 417.893 4.334 20 5 HIBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513502633 921852639 /nfs/dbraw/zinc/85/26/39/921852639.db2.gz CCXBPPWLHNIOJO-IBGZPJMESA-N 1 0 400.475 4.041 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCC5)C3)s2)cc1 ZINC000513682560 922002989 /nfs/dbraw/zinc/00/29/89/922002989.db2.gz ANGDUERQVWIWQG-INIZCTEOSA-N 1 0 409.515 4.241 20 5 HIBDRO COC1CCN(C2(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000513832147 922159418 /nfs/dbraw/zinc/15/94/18/922159418.db2.gz DMZQDDHFKDOPMP-KNQAVFIVSA-N 1 0 415.578 4.319 20 5 HIBDRO COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000514636259 922738320 /nfs/dbraw/zinc/73/83/20/922738320.db2.gz VAEKNJZAIJLHHA-CKUXNOBLSA-N 1 0 410.514 4.010 20 5 HIBDRO COc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)[NH+]2CCCCC2)cc1 ZINC000515106175 922918829 /nfs/dbraw/zinc/91/88/29/922918829.db2.gz KHZBOKNTLLGWDY-NRFANRHFSA-N 1 0 412.490 4.261 20 5 HIBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c(C)c2)CC1 ZINC000515284832 923033815 /nfs/dbraw/zinc/03/38/15/923033815.db2.gz AXZFINUOOGPOFV-UHFFFAOYSA-N 1 0 408.458 4.044 20 5 HIBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N2CCOCC2)cc1 ZINC000518262784 927119839 /nfs/dbraw/zinc/11/98/39/927119839.db2.gz DLNCTRROHGKONV-HSZRJFAPSA-N 1 0 421.497 4.326 20 5 HIBDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000518262992 927120035 /nfs/dbraw/zinc/12/00/35/927120035.db2.gz ZVKGHSWWCSBATI-QHCPKHFHSA-N 1 0 419.481 4.424 20 5 HIBDRO COC1CCN(C2(C[NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCCC2)CC1 ZINC000518286996 927146343 /nfs/dbraw/zinc/14/63/43/927146343.db2.gz VSAIMFIUTBIQIW-UHFFFAOYSA-N 1 0 413.518 4.368 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518358641 927219201 /nfs/dbraw/zinc/21/92/01/927219201.db2.gz CGBYUNCHXPPTJJ-MRXNPFEDSA-N 1 0 403.866 4.255 20 5 HIBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518710983 927449328 /nfs/dbraw/zinc/44/93/28/927449328.db2.gz LXYBCWYNIMUOBC-AWEZNQCLSA-N 1 0 415.877 4.255 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000520237237 928405297 /nfs/dbraw/zinc/40/52/97/928405297.db2.gz YQVACOYTNFTSGY-GJZGRUSLSA-N 1 0 419.909 4.261 20 5 HIBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000520312178 928473770 /nfs/dbraw/zinc/47/37/70/928473770.db2.gz OHDRADZUQCULHN-UHFFFAOYSA-N 1 0 403.866 4.208 20 5 HIBDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000520388087 928539121 /nfs/dbraw/zinc/53/91/21/928539121.db2.gz ARKCYQYRMKDNBW-STQMWFEESA-N 1 0 421.881 4.252 20 5 HIBDRO CC1(C)C[N@@H+](C2(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCCCC2)CCO1 ZINC000520895673 928864537 /nfs/dbraw/zinc/86/45/37/928864537.db2.gz QGFLHIIVYBGCDT-UHFFFAOYSA-N 1 0 424.929 4.183 20 5 HIBDRO C[C@@H]1CN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000520955836 928888679 /nfs/dbraw/zinc/88/86/79/928888679.db2.gz YAUOYYHPDVQGCJ-CALCHBBNSA-N 1 0 417.481 4.115 20 5 HIBDRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000520954263 928888806 /nfs/dbraw/zinc/88/88/06/928888806.db2.gz QQHOHSVKGOXPRK-UHFFFAOYSA-N 1 0 405.454 4.249 20 5 HIBDRO COc1ccc(C[NH2+]CCN2CCCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521819095 929476471 /nfs/dbraw/zinc/47/64/71/929476471.db2.gz OSHZERIKZDDWAP-UHFFFAOYSA-N 1 0 413.518 4.148 20 5 HIBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000521872364 929521552 /nfs/dbraw/zinc/52/15/52/929521552.db2.gz ZGLLADSJLZDHKQ-AWEZNQCLSA-N 1 0 417.918 4.366 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525271933 930123208 /nfs/dbraw/zinc/12/32/08/930123208.db2.gz VPQIXCVZLCZLPU-INIZCTEOSA-N 1 0 422.428 4.244 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354443 930192766 /nfs/dbraw/zinc/19/27/66/930192766.db2.gz JJUQNHCPMRFSNI-RXVVDRJESA-N 1 0 410.518 4.052 20 5 HIBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525537576 930310499 /nfs/dbraw/zinc/31/04/99/930310499.db2.gz USDMIQCWXWIPEK-RDTXWAMCSA-N 1 0 417.893 4.453 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530589664 930760982 /nfs/dbraw/zinc/76/09/82/930760982.db2.gz NVVVYFMKPQHMSR-ACJLOTCBSA-N 1 0 407.923 4.148 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1SC ZINC000530590649 930761309 /nfs/dbraw/zinc/76/13/09/930761309.db2.gz ODDMOKVKZLPANN-INIZCTEOSA-N 1 0 423.922 4.011 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000532208432 931351732 /nfs/dbraw/zinc/35/17/32/931351732.db2.gz XBVARNSHAJAHHU-NRFANRHFSA-N 1 0 414.469 4.338 20 5 HIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c2c(c1)COCO2 ZINC000532275708 931380724 /nfs/dbraw/zinc/38/07/24/931380724.db2.gz MWWBUKJPHSISIN-CQSZACIVSA-N 1 0 415.515 4.176 20 5 HIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000532558161 931522212 /nfs/dbraw/zinc/52/22/12/931522212.db2.gz IXUQCQYDDFCHHP-UHFFFAOYSA-N 1 0 422.485 4.016 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000532689013 931585960 /nfs/dbraw/zinc/58/59/60/931585960.db2.gz FHPICMNDQDXYRU-INIZCTEOSA-N 1 0 412.421 4.042 20 5 HIBDRO C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc2)CC1 ZINC000532866170 931671971 /nfs/dbraw/zinc/67/19/71/931671971.db2.gz YWLGZCNFAPNPIB-UHFFFAOYSA-N 1 0 421.501 4.392 20 5 HIBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000532900930 931685242 /nfs/dbraw/zinc/68/52/42/931685242.db2.gz YGVDMWUMKVNXBM-UHFFFAOYSA-N 1 0 418.291 4.100 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532950641 931708221 /nfs/dbraw/zinc/70/82/21/931708221.db2.gz XXQKLTKMGVFWAZ-ROUUACIJSA-N 1 0 413.522 4.294 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532968921 931718297 /nfs/dbraw/zinc/71/82/97/931718297.db2.gz ZIDBPPZCRJZZSC-UHFFFAOYSA-N 1 0 403.523 4.293 20 5 HIBDRO COc1cc(C)c(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000533222459 931813659 /nfs/dbraw/zinc/81/36/59/931813659.db2.gz FSINBTYXPVIYCN-UHFFFAOYSA-N 1 0 411.458 4.250 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000533348940 931845230 /nfs/dbraw/zinc/84/52/30/931845230.db2.gz IWSMLJKACAHYLE-UHFFFAOYSA-N 1 0 421.291 4.032 20 5 HIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000533421052 931863546 /nfs/dbraw/zinc/86/35/46/931863546.db2.gz KJQOBKANYYHQTB-KRWDZBQOSA-N 1 0 421.501 4.302 20 5 HIBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000533440403 931869923 /nfs/dbraw/zinc/86/99/23/931869923.db2.gz SGDAWNFFFANKJP-OAHLLOKOSA-N 1 0 403.866 4.075 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533484322 931880914 /nfs/dbraw/zinc/88/09/14/931880914.db2.gz HBPIGMGQFQRBPJ-RXVVDRJESA-N 1 0 424.545 4.217 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000533520364 931892240 /nfs/dbraw/zinc/89/22/40/931892240.db2.gz PFQABSPODUVMHC-UHFFFAOYSA-N 1 0 417.893 4.181 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000533956594 932131041 /nfs/dbraw/zinc/13/10/41/932131041.db2.gz OGZPWVWGSNUTAK-QGZVFWFLSA-N 1 0 403.866 4.039 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534227487 932347160 /nfs/dbraw/zinc/34/71/60/932347160.db2.gz XRESXTGYCRBASJ-KKSFZXQISA-N 1 0 419.884 4.129 20 5 HIBDRO COc1ccc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534240214 932358629 /nfs/dbraw/zinc/35/86/29/932358629.db2.gz QZVGZTMAOJNAEN-QRWLVFNGSA-N 1 0 407.873 4.179 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535052449 932892629 /nfs/dbraw/zinc/89/26/29/932892629.db2.gz ZOJJBNQKICZSOO-HGKCTWBKSA-N 1 0 400.475 4.228 20 5 HIBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000535080329 932898906 /nfs/dbraw/zinc/89/89/06/932898906.db2.gz TYOGVVYXFZNUHF-NRFANRHFSA-N 1 0 406.486 4.211 20 5 HIBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535206689 933014415 /nfs/dbraw/zinc/01/44/15/933014415.db2.gz OPHCKNNHGVDARM-LJQANCHMSA-N 1 0 421.501 4.055 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000535293695 933055648 /nfs/dbraw/zinc/05/56/48/933055648.db2.gz KIPMEYPNUXWITM-UHFFFAOYSA-N 1 0 412.490 4.079 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1Cc1ccccc1 ZINC000535397831 933114470 /nfs/dbraw/zinc/11/44/70/933114470.db2.gz PEHXEVHVZMVUOE-PXNSSMCTSA-N 1 0 420.513 4.130 20 5 HIBDRO COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000535584868 933255552 /nfs/dbraw/zinc/25/55/52/933255552.db2.gz UTDSLBJXCCQLFF-QGZVFWFLSA-N 1 0 407.470 4.125 20 5 HIBDRO CC(C)(C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000535670405 933317090 /nfs/dbraw/zinc/31/70/90/933317090.db2.gz RVADULVPKQWYSL-UHFFFAOYSA-N 1 0 421.541 4.387 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)s1 ZINC000537649961 938347263 /nfs/dbraw/zinc/34/72/63/938347263.db2.gz RUCLUJYTXYPXKX-QGZVFWFLSA-N 1 0 400.422 4.459 20 5 HIBDRO C[C@@H]1C[C@@H](C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000537770759 938373224 /nfs/dbraw/zinc/37/32/24/938373224.db2.gz CDPZUVLHQWEGPD-QEEYODRMSA-N 1 0 417.893 4.333 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537775416 938374207 /nfs/dbraw/zinc/37/42/07/938374207.db2.gz BCFSWAPYPUZFIN-LPHOPBHVSA-N 1 0 400.475 4.087 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000537942516 938426077 /nfs/dbraw/zinc/42/60/77/938426077.db2.gz GLUDWCKLNJOKQY-HARLFGEKSA-N 1 0 407.518 4.474 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000537955517 938432415 /nfs/dbraw/zinc/43/24/15/938432415.db2.gz ZKXGFNJIMXWUII-LBPRGKRZSA-N 1 0 418.906 4.407 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000538126438 938512417 /nfs/dbraw/zinc/51/24/17/938512417.db2.gz VCQOITGSFXWEFE-HUUCEWRRSA-N 1 0 401.463 4.068 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000538146189 938519902 /nfs/dbraw/zinc/51/99/02/938519902.db2.gz WYEMGIBFJGJIIE-CYBMUJFWSA-N 1 0 406.280 4.345 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000538204656 938553480 /nfs/dbraw/zinc/55/34/80/938553480.db2.gz JNGACDMQHZPQJR-AWEZNQCLSA-N 1 0 403.504 4.393 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000538271561 938580289 /nfs/dbraw/zinc/58/02/89/938580289.db2.gz RIOGMERRHOXTNZ-WMZOPIPTSA-N 1 0 413.543 4.488 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000538404389 938612498 /nfs/dbraw/zinc/61/24/98/938612498.db2.gz DKIGJJZXKAZMFO-UHFFFAOYSA-N 1 0 415.453 4.011 20 5 HIBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538730852 938695095 /nfs/dbraw/zinc/69/50/95/938695095.db2.gz VUKLLBVNUHCHHO-KRWDZBQOSA-N 1 0 405.445 4.150 20 5 HIBDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CC2 ZINC000538736258 938697031 /nfs/dbraw/zinc/69/70/31/938697031.db2.gz NIOKYHPFQSPYKT-UHFFFAOYSA-N 1 0 415.877 4.143 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000539021312 938771560 /nfs/dbraw/zinc/77/15/60/938771560.db2.gz SICBFBUIRSOLKK-CHWSQXEVSA-N 1 0 406.280 4.425 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000539043000 938779300 /nfs/dbraw/zinc/77/93/00/938779300.db2.gz CZRJBYFLADLFOY-WMHILYHISA-N 1 0 405.445 4.368 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000539090770 938800792 /nfs/dbraw/zinc/80/07/92/938800792.db2.gz QSCUIRFFQIGABG-KRWDZBQOSA-N 1 0 407.470 4.229 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539091104 938801032 /nfs/dbraw/zinc/80/10/32/938801032.db2.gz LCXIWRNEEIBACF-FGTMMUONSA-N 1 0 411.502 4.003 20 5 HIBDRO C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)cc1 ZINC000539245686 938824923 /nfs/dbraw/zinc/82/49/23/938824923.db2.gz DCNDXAOMFSSGHO-LLVKDONJSA-N 1 0 403.236 4.258 20 5 HIBDRO Cc1nc(-c2ccc([C@H](C)[NH2+]CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)cs1 ZINC000539252784 938826872 /nfs/dbraw/zinc/82/68/72/938826872.db2.gz IQQLQLDHHYFDPE-AWEZNQCLSA-N 1 0 422.510 4.267 20 5 HIBDRO C[C@H]([NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539274377 938831628 /nfs/dbraw/zinc/83/16/28/938831628.db2.gz MKBOTWXXJRGUQL-MBSDFSHPSA-N 1 0 403.482 4.346 20 5 HIBDRO Cc1nc(-c2ccc([C@H](C)[NH2+]CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000539280866 938832858 /nfs/dbraw/zinc/83/28/58/938832858.db2.gz IMUKTVHHJXMMBM-AWEZNQCLSA-N 1 0 410.499 4.340 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000539314309 938839544 /nfs/dbraw/zinc/83/95/44/938839544.db2.gz KBQSCJSDSJVEAD-OAQYLSRUSA-N 1 0 401.438 4.202 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000539328606 938842484 /nfs/dbraw/zinc/84/24/84/938842484.db2.gz YAHGZONVESBQOJ-AWEZNQCLSA-N 1 0 401.438 4.120 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000539339299 938844839 /nfs/dbraw/zinc/84/48/39/938844839.db2.gz QYEYZQXODUSRKF-CVEARBPZSA-N 1 0 420.469 4.343 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000539378419 938851486 /nfs/dbraw/zinc/85/14/86/938851486.db2.gz CKXBOPXXYOTPPG-CQSZACIVSA-N 1 0 402.882 4.138 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1CC1 ZINC000539650298 938893944 /nfs/dbraw/zinc/89/39/44/938893944.db2.gz MGBUXXFRVHPHPR-QHCPKHFHSA-N 1 0 409.530 4.232 20 5 HIBDRO Cc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000539689695 938902371 /nfs/dbraw/zinc/90/23/71/938902371.db2.gz PLYSCRNCMUSHAF-UHFFFAOYSA-N 1 0 422.832 4.180 20 5 HIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000539722015 938912892 /nfs/dbraw/zinc/91/28/92/938912892.db2.gz XSVCBFAJIDFITA-UHFFFAOYSA-N 1 0 406.533 4.184 20 5 HIBDRO Cc1nsc(N2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)n1 ZINC000539821696 938945302 /nfs/dbraw/zinc/94/53/02/938945302.db2.gz KDRAGFHBGISVRM-UHFFFAOYSA-N 1 0 415.544 4.196 20 5 HIBDRO CC[N@H+](CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)CC1CC1 ZINC000540050792 939050740 /nfs/dbraw/zinc/05/07/40/939050740.db2.gz YSTYSTSPBIRDPA-UHFFFAOYSA-N 1 0 422.957 4.021 20 5 HIBDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000540405059 939236427 /nfs/dbraw/zinc/23/64/27/939236427.db2.gz UIGVYPFWSNYZGD-ZDUSSCGKSA-N 1 0 423.922 4.276 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000540432067 939246963 /nfs/dbraw/zinc/24/69/63/939246963.db2.gz BWRPZYVEKKGQCW-UHFFFAOYSA-N 1 0 417.412 4.230 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000540437512 939249841 /nfs/dbraw/zinc/24/98/41/939249841.db2.gz DHRKIBJGOFUVSU-INIZCTEOSA-N 1 0 420.469 4.345 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000540440466 939251436 /nfs/dbraw/zinc/25/14/36/939251436.db2.gz WKVVQYDOFGLSTE-HZPDHXFCSA-N 1 0 420.469 4.343 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000540457883 939259777 /nfs/dbraw/zinc/25/97/77/939259777.db2.gz HFCFZEHQQPNKBT-UHFFFAOYSA-N 1 0 423.391 4.230 20 5 HIBDRO Cn1cc(C[NH2+]CCOc2ccc3ccccc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540553545 939302570 /nfs/dbraw/zinc/30/25/70/939302570.db2.gz FWBOYVOCIPRRAQ-UHFFFAOYSA-N 1 0 402.454 4.317 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000540651364 939331085 /nfs/dbraw/zinc/33/10/85/939331085.db2.gz YIYIKZCRZSCMAQ-YLJYHZDGSA-N 1 0 400.475 4.087 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)C1CC1 ZINC000540755316 939360487 /nfs/dbraw/zinc/36/04/87/939360487.db2.gz PPYMSTBXKKGGNT-MSOLQXFVSA-N 1 0 417.456 4.386 20 5 HIBDRO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541270944 939488622 /nfs/dbraw/zinc/48/86/22/939488622.db2.gz YTRSXHUWVNXIRP-KBPBESRZSA-N 1 0 411.955 4.110 20 5 HIBDRO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541270946 939488632 /nfs/dbraw/zinc/48/86/32/939488632.db2.gz YTRSXHUWVNXIRP-UONOGXRCSA-N 1 0 411.955 4.110 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000541424967 939513053 /nfs/dbraw/zinc/51/30/53/939513053.db2.gz HPANWBDQQOJTNM-IIAWOOMASA-N 1 0 411.955 4.204 20 5 HIBDRO COc1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000541551194 939553125 /nfs/dbraw/zinc/55/31/25/939553125.db2.gz FKGJMWZKTANUAY-QZTJIDSGSA-N 1 0 414.502 4.477 20 5 HIBDRO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541584878 939560550 /nfs/dbraw/zinc/56/05/50/939560550.db2.gz AQYYVYXKVUKUHH-HNAYVOBHSA-N 1 0 419.522 4.488 20 5 HIBDRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000541629770 939575731 /nfs/dbraw/zinc/57/57/31/939575731.db2.gz YUWZIBFNKDAIIS-IQUTYRLHSA-N 1 0 405.495 4.098 20 5 HIBDRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000541629771 939576062 /nfs/dbraw/zinc/57/60/62/939576062.db2.gz YUWZIBFNKDAIIS-KSMMKXTCSA-N 1 0 405.495 4.098 20 5 HIBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[N@@H+]1C1CC1 ZINC000541724943 939614772 /nfs/dbraw/zinc/61/47/72/939614772.db2.gz NPPQTVGDOMZHTI-HOCLYGCPSA-N 1 0 403.548 4.232 20 5 HIBDRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000541769070 939625968 /nfs/dbraw/zinc/62/59/68/939625968.db2.gz BPHRDNKGNAAGGT-UHFFFAOYSA-N 1 0 404.894 4.403 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000541773629 939626863 /nfs/dbraw/zinc/62/68/63/939626863.db2.gz FWXVCMWGNAOGGB-INIZCTEOSA-N 1 0 400.454 4.076 20 5 HIBDRO Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)ccc1OCC[NH+]1CCCC1 ZINC000541785642 939629584 /nfs/dbraw/zinc/62/95/84/939629584.db2.gz WZCQDKGVFOOKBD-UHFFFAOYSA-N 1 0 402.426 4.161 20 5 HIBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952540 939661208 /nfs/dbraw/zinc/66/12/08/939661208.db2.gz QHEYNBHXDMAZJQ-JKSUJKDBSA-N 1 0 407.474 4.075 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000542195050 939752488 /nfs/dbraw/zinc/75/24/88/939752488.db2.gz QXPLNBXIEJIFKH-LJQANCHMSA-N 1 0 413.543 4.058 20 5 HIBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542328151 939801332 /nfs/dbraw/zinc/80/13/32/939801332.db2.gz KDHYHWWKXPFREI-UHFFFAOYSA-N 1 0 409.895 4.049 20 5 HIBDRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542510626 939834789 /nfs/dbraw/zinc/83/47/89/939834789.db2.gz MAALXQQSRGDWLZ-ZIFCJYIRSA-N 1 0 413.493 4.349 20 5 HIBDRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542532084 939838456 /nfs/dbraw/zinc/83/84/56/939838456.db2.gz LSTGGDRZJRATBH-CQSZACIVSA-N 1 0 403.479 4.025 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000542555225 939843087 /nfs/dbraw/zinc/84/30/87/939843087.db2.gz BMBYNUYAVDYRBG-QGZVFWFLSA-N 1 0 419.481 4.352 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000542581497 939846125 /nfs/dbraw/zinc/84/61/25/939846125.db2.gz FYMNLEZDSQUXPE-GFCCVEGCSA-N 1 0 406.508 4.037 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542633916 939850551 /nfs/dbraw/zinc/85/05/51/939850551.db2.gz ULLXFAPYZDLZNO-RXVVDRJESA-N 1 0 415.465 4.223 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000542714985 939856175 /nfs/dbraw/zinc/85/61/75/939856175.db2.gz GJFAQXOJNRQSEG-JOCHJYFZSA-N 1 0 412.465 4.254 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000542915968 939876973 /nfs/dbraw/zinc/87/69/73/939876973.db2.gz UCFOJNIYQUAYSY-JKSUJKDBSA-N 1 0 402.495 4.131 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000542915965 939877030 /nfs/dbraw/zinc/87/70/30/939877030.db2.gz UCFOJNIYQUAYSY-HOTGVXAUSA-N 1 0 402.495 4.131 20 5 HIBDRO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542943264 939882850 /nfs/dbraw/zinc/88/28/50/939882850.db2.gz HFAWDEOIKKKONM-INIZCTEOSA-N 1 0 424.973 4.409 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000543020888 939896670 /nfs/dbraw/zinc/89/66/70/939896670.db2.gz DTCRVXKISDKMQX-UHFFFAOYSA-N 1 0 413.465 4.170 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000543062949 939915634 /nfs/dbraw/zinc/91/56/34/939915634.db2.gz CDLYLEYAJMAXCO-ZDUSSCGKSA-N 1 0 400.866 4.279 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)c(Cl)c1 ZINC000543395778 940051231 /nfs/dbraw/zinc/05/12/31/940051231.db2.gz WXLXLUFXEXQEEO-LJQANCHMSA-N 1 0 410.301 4.065 20 5 HIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422432 940060238 /nfs/dbraw/zinc/06/02/38/940060238.db2.gz GKFPZAXLBWDYOG-HBGVWJBISA-N 1 0 402.516 4.484 20 5 HIBDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000543489369 940081669 /nfs/dbraw/zinc/08/16/69/940081669.db2.gz BTGBMZJTBITWKR-KBPBESRZSA-N 1 0 409.408 4.358 20 5 HIBDRO COc1ccc2oc([C@@H](C)[NH2+][C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c(C)c2c1 ZINC000543512148 940090350 /nfs/dbraw/zinc/09/03/50/940090350.db2.gz RIPYVUHIFOUPOJ-KUHUBIRLSA-N 1 0 409.442 4.114 20 5 HIBDRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543537566 940098068 /nfs/dbraw/zinc/09/80/68/940098068.db2.gz AZGAEARMLFAUGM-IRXDYDNUSA-N 1 0 413.493 4.386 20 5 HIBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCSC1 ZINC000543587421 940121322 /nfs/dbraw/zinc/12/13/22/940121322.db2.gz GPPQESGKZKHNBS-FQEVSTJZSA-N 1 0 423.604 4.044 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000543644415 940147621 /nfs/dbraw/zinc/14/76/21/940147621.db2.gz JZADDGWDSDFIPW-DYESRHJHSA-N 1 0 412.465 4.252 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccccc1Br ZINC000543778080 940184385 /nfs/dbraw/zinc/18/43/85/940184385.db2.gz TWLBLPVLWDAUOK-KBXCAEBGSA-N 1 0 407.308 4.392 20 5 HIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543821777 940198621 /nfs/dbraw/zinc/19/86/21/940198621.db2.gz DSMKQZXPTFYYBU-UHFFFAOYSA-N 1 0 405.401 4.087 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000563834243 945308669 /nfs/dbraw/zinc/30/86/69/945308669.db2.gz FWQGRAWOFFHREH-UGKGYDQZSA-N 1 0 412.873 4.367 20 5 HIBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000544207151 940354367 /nfs/dbraw/zinc/35/43/67/940354367.db2.gz UGIYRIVVFNRCBO-UHFFFAOYSA-N 1 0 419.934 4.253 20 5 HIBDRO CCc1ccc([C@@H](NC2CC[NH+](Cc3ccccn3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544364773 940402620 /nfs/dbraw/zinc/40/26/20/940402620.db2.gz XWWHBFKEKOIOFZ-DEOSSOPVSA-N 1 0 420.513 4.489 20 5 HIBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)c21 ZINC000544394720 940410937 /nfs/dbraw/zinc/41/09/37/940410937.db2.gz RAMSRVBISQCEHK-AZUAARDMSA-N 1 0 403.486 4.029 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c([N+](=O)[O-])c1 ZINC000544411495 940416126 /nfs/dbraw/zinc/41/61/26/940416126.db2.gz IKAKNTYQJZTPEY-GOSISDBHSA-N 1 0 411.483 4.177 20 5 HIBDRO O=C(C[NH2+][C@H](Cc1ccccc1)c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000544416427 940417839 /nfs/dbraw/zinc/41/78/39/940417839.db2.gz ZSIFNCMXWVREIX-LJQANCHMSA-N 1 0 407.495 4.119 20 5 HIBDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000544454382 940437818 /nfs/dbraw/zinc/43/78/18/940437818.db2.gz GBLUOXOGXQBBGA-QGZVFWFLSA-N 1 0 405.882 4.052 20 5 HIBDRO C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000544511015 940461975 /nfs/dbraw/zinc/46/19/75/940461975.db2.gz NYQKYXKNEUVGTR-XOBRGWDASA-N 1 0 419.884 4.444 20 5 HIBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000544560641 940479137 /nfs/dbraw/zinc/47/91/37/940479137.db2.gz IHJWVTCTPREOIB-GOSISDBHSA-N 1 0 403.548 4.186 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000544608185 940489588 /nfs/dbraw/zinc/48/95/88/940489588.db2.gz MCHAUUVCKKSAEE-HNNXBMFYSA-N 1 0 419.407 4.344 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000545003651 940532591 /nfs/dbraw/zinc/53/25/91/940532591.db2.gz BQLAMQMSBLUHNJ-UHFFFAOYSA-N 1 0 412.446 4.041 20 5 HIBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000545352910 940563963 /nfs/dbraw/zinc/56/39/63/940563963.db2.gz LIGKZINJMODRDE-PXNSSMCTSA-N 1 0 406.866 4.324 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2noc([C@@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000545523219 940573084 /nfs/dbraw/zinc/57/30/84/940573084.db2.gz GHGKQCDABATMHN-LJQANCHMSA-N 1 0 418.375 4.351 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000546550525 940850345 /nfs/dbraw/zinc/85/03/45/940850345.db2.gz HGWIBKYFWCUMAF-UHFFFAOYSA-N 1 0 407.530 4.372 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000546645406 940864710 /nfs/dbraw/zinc/86/47/10/940864710.db2.gz IYCOTLTXAFDTPZ-AWEZNQCLSA-N 1 0 419.934 4.471 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000546872133 940898842 /nfs/dbraw/zinc/89/88/42/940898842.db2.gz IQVRJUYSCCGTNO-CKNLXJGOSA-N 1 0 405.882 4.331 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000546898516 940905874 /nfs/dbraw/zinc/90/58/74/940905874.db2.gz WWIFUGZNIOVUEI-UHFFFAOYSA-N 1 0 400.504 4.122 20 5 HIBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548361207 941097683 /nfs/dbraw/zinc/09/76/83/941097683.db2.gz VUAAZPNUBXQTSX-UHFFFAOYSA-N 1 0 401.466 4.004 20 5 HIBDRO 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 941130496 /nfs/dbraw/zinc/13/04/96/941130496.db2.gz ULVRXGWEGWCBPO-KANFNMMFSA-N 1 0 409.486 4.341 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000548959565 941134316 /nfs/dbraw/zinc/13/43/16/941134316.db2.gz WKADXWSFADFJSH-LJQANCHMSA-N 1 0 417.531 4.258 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Cc1ccccc1 ZINC000549317394 941179470 /nfs/dbraw/zinc/17/94/70/941179470.db2.gz LLJIVOZOEBUJBD-QGZVFWFLSA-N 1 0 423.435 4.297 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccsc1 ZINC000549339441 941181099 /nfs/dbraw/zinc/18/10/99/941181099.db2.gz HNSGZCREJZIRQZ-INIZCTEOSA-N 1 0 415.437 4.488 20 5 HIBDRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000549859459 941218644 /nfs/dbraw/zinc/21/86/44/941218644.db2.gz RIEDKCAXQSPUPP-INIZCTEOSA-N 1 0 415.453 4.399 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549942196 941243920 /nfs/dbraw/zinc/24/39/20/941243920.db2.gz RAWVJFVSSBICFB-UKRRQHHQSA-N 1 0 407.392 4.179 20 5 HIBDRO COc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(Cl)c1OC ZINC000550239634 941302580 /nfs/dbraw/zinc/30/25/80/941302580.db2.gz ULDVLDZRNJJTHX-UHFFFAOYSA-N 1 0 416.808 4.199 20 5 HIBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000551600040 941509569 /nfs/dbraw/zinc/50/95/69/941509569.db2.gz QXRYFKIAHLMIDO-OAHLLOKOSA-N 1 0 421.419 4.350 20 5 HIBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000551788951 941545669 /nfs/dbraw/zinc/54/56/69/941545669.db2.gz JZVIZRACWNBGKJ-HZPDHXFCSA-N 1 0 407.392 4.478 20 5 HIBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000551814768 941551466 /nfs/dbraw/zinc/55/14/66/941551466.db2.gz VCGUNXSJWFMXPJ-XOBRGWDASA-N 1 0 402.516 4.462 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)s1 ZINC000552134712 941591036 /nfs/dbraw/zinc/59/10/36/941591036.db2.gz VCJLPBGCRIGKMA-INIZCTEOSA-N 1 0 424.526 4.107 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC000552134243 941591350 /nfs/dbraw/zinc/59/13/50/941591350.db2.gz BYTKFRRANUPIQN-CQSZACIVSA-N 1 0 407.923 4.212 20 5 HIBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552334679 941635324 /nfs/dbraw/zinc/63/53/24/941635324.db2.gz UOJBYFNBNISVAF-LPHOPBHVSA-N 1 0 411.527 4.445 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccccc3OCc3ccccn3)c2c1 ZINC000554730356 942214007 /nfs/dbraw/zinc/21/40/07/942214007.db2.gz XBRUJLGXBKWRSJ-UHFFFAOYSA-N 1 0 402.454 4.382 20 5 HIBDRO Cc1ccc(CN(CC[NH+](C)C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000554883001 942306698 /nfs/dbraw/zinc/30/66/98/942306698.db2.gz RQSQBCNLBNKDTF-UHFFFAOYSA-N 1 0 400.504 4.184 20 5 HIBDRO O=C(C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000555077542 942378810 /nfs/dbraw/zinc/37/88/10/942378810.db2.gz VLGFQUZJPIRQHL-HXUWFJFHSA-N 1 0 419.403 4.244 20 5 HIBDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000555127453 942394514 /nfs/dbraw/zinc/39/45/14/942394514.db2.gz CZFRFIBPMIJHQM-CTNGQTDRSA-N 1 0 401.894 4.324 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccncc2OCc2ccccc2)n1 ZINC000556912360 942963311 /nfs/dbraw/zinc/96/33/11/942963311.db2.gz RHPLADUMQUGOIA-UXHICEINSA-N 1 0 407.474 4.039 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2cccc(OC)c2[N+](=O)[O-])n1 ZINC000558305006 943495794 /nfs/dbraw/zinc/49/57/94/943495794.db2.gz VLAQPQRHUDQIRR-UHFFFAOYSA-N 1 0 412.446 4.041 20 5 HIBDRO CN(c1ccccc1)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412427 943552890 /nfs/dbraw/zinc/55/28/90/943552890.db2.gz ZHPKAAXOPXTYJI-FUHWJXTLSA-N 1 0 423.435 4.355 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)c1 ZINC000558847936 943697696 /nfs/dbraw/zinc/69/76/96/943697696.db2.gz OJMZXPGGEQXFIK-UHFFFAOYSA-N 1 0 413.474 4.029 20 5 HIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000559491588 943980061 /nfs/dbraw/zinc/98/00/61/943980061.db2.gz KTRXYBWQPLPQET-UHFFFAOYSA-N 1 0 409.530 4.243 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559824165 944061471 /nfs/dbraw/zinc/06/14/71/944061471.db2.gz HRNQFGRTRQMZSB-HUUCEWRRSA-N 1 0 413.440 4.340 20 5 HIBDRO C[NH+](C)CCOc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1 ZINC000559934548 944090503 /nfs/dbraw/zinc/09/05/03/944090503.db2.gz BACASDWKQUBGHP-UHFFFAOYSA-N 1 0 422.363 4.271 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000559961325 944101120 /nfs/dbraw/zinc/10/11/20/944101120.db2.gz ZTCIQOXKCRDENK-UHFFFAOYSA-N 1 0 418.291 4.273 20 5 HIBDRO COc1ccc(Oc2cc(C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)ccn2)cc1 ZINC000559985173 944111008 /nfs/dbraw/zinc/11/10/08/944111008.db2.gz UAEVHYWBTVZYNZ-WOJBJXKFSA-N 1 0 423.473 4.261 20 5 HIBDRO COc1ccc(Oc2cc(C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)ccn2)cc1 ZINC000559985172 944111368 /nfs/dbraw/zinc/11/13/68/944111368.db2.gz UAEVHYWBTVZYNZ-VQTJNVASSA-N 1 0 423.473 4.261 20 5 HIBDRO COc1ccc(Oc2cc(C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)ccn2)cc1 ZINC000559985171 944111509 /nfs/dbraw/zinc/11/15/09/944111509.db2.gz UAEVHYWBTVZYNZ-UXHICEINSA-N 1 0 423.473 4.261 20 5 HIBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000560297411 944222196 /nfs/dbraw/zinc/22/21/96/944222196.db2.gz BGGUEDQZYWZJQE-UHFFFAOYSA-N 1 0 401.894 4.410 20 5 HIBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764378 944786499 /nfs/dbraw/zinc/78/64/99/944786499.db2.gz JEODSCWPBROCLU-IXFSTUDKSA-N 1 0 422.529 4.009 20 5 HIBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000564684918 945728848 /nfs/dbraw/zinc/72/88/48/945728848.db2.gz MSUZMPIHHFVARM-AUSIDOKSSA-N 1 0 404.470 4.122 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000564769929 945756373 /nfs/dbraw/zinc/75/63/73/945756373.db2.gz CJZRAXSPORANHW-QGZVFWFLSA-N 1 0 424.501 4.152 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000566773333 946096260 /nfs/dbraw/zinc/09/62/60/946096260.db2.gz OTKOBSALCLUSGU-GOSISDBHSA-N 1 0 404.898 4.085 20 5 HIBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)F ZINC000567436379 946340780 /nfs/dbraw/zinc/34/07/80/946340780.db2.gz YYPRMTIZANAYJI-IRXDYDNUSA-N 1 0 403.429 4.155 20 5 HIBDRO Cc1c([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)nnn1-c1ccc(C)cc1 ZINC000570241181 947162812 /nfs/dbraw/zinc/16/28/12/947162812.db2.gz CMVWWNJIXVJZEB-HNNXBMFYSA-N 1 0 404.474 4.167 20 5 HIBDRO Cc1ccccc1C1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000570432843 947242068 /nfs/dbraw/zinc/24/20/68/947242068.db2.gz GSXMSUGABWLJRH-QFIPXVFZSA-N 1 0 420.513 4.064 20 5 HIBDRO COC[C@@]1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000570889128 947385371 /nfs/dbraw/zinc/38/53/71/947385371.db2.gz KKUNAPJTVZSZFG-JWQCQUIFSA-N 1 0 418.493 4.388 20 5 HIBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000571567723 947705669 /nfs/dbraw/zinc/70/56/69/947705669.db2.gz ZIRXVZSCIXUJDL-CQSZACIVSA-N 1 0 405.882 4.389 20 5 HIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1 ZINC000571648233 947736833 /nfs/dbraw/zinc/73/68/33/947736833.db2.gz HUSAZWGJLCWIBS-UHFFFAOYSA-N 1 0 417.391 4.359 20 5 HIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-n2cccn2)c(F)c1 ZINC000573270495 948133453 /nfs/dbraw/zinc/13/34/53/948133453.db2.gz YQBLSVLHYASZHN-HNNXBMFYSA-N 1 0 421.432 4.468 20 5 HIBDRO C[N@H+](Cc1ccccc1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000573751815 948289190 /nfs/dbraw/zinc/28/91/90/948289190.db2.gz JBSPGUUDFYFZKJ-OAQYLSRUSA-N 1 0 413.518 4.211 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000575215183 948632396 /nfs/dbraw/zinc/63/23/96/948632396.db2.gz CMSFGSMJLAFPRG-UHFFFAOYSA-N 1 0 411.449 4.067 20 5 HIBDRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000575769709 948698423 /nfs/dbraw/zinc/69/84/23/948698423.db2.gz JMQNDPHKQQTOGY-AAIMPIBUSA-N 1 0 419.529 4.060 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629157 719067823 /nfs/dbraw/zinc/06/78/23/719067823.db2.gz WDDAILJYIXZUMD-PBHICJAKSA-N 1 0 407.301 4.397 20 5 HIBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164622871 719071021 /nfs/dbraw/zinc/07/10/21/719071021.db2.gz JDTQNUOPAJUXBS-YJBOKZPZSA-N 1 0 422.863 4.289 20 5 HIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629282 719113119 /nfs/dbraw/zinc/11/31/19/719113119.db2.gz RROKHARORBDKHE-OXQOHEQNSA-N 1 0 423.904 4.292 20 5 HIBDRO O=[N+]([O-])c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c2ccccc21 ZINC001164695691 719891437 /nfs/dbraw/zinc/89/14/37/719891437.db2.gz RDAIYIXZQUMJJY-UHFFFAOYSA-N 1 0 424.526 4.076 20 5 HIBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722516 720373210 /nfs/dbraw/zinc/37/32/10/720373210.db2.gz DBPXKONELMSZKZ-ZWKOTPCHSA-N 1 0 409.877 4.045 20 5 HIBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ccc21 ZINC001164722521 720397082 /nfs/dbraw/zinc/39/70/82/720397082.db2.gz DDIFCVWQTLNANX-MOPGFXCFSA-N 1 0 409.877 4.045 20 5 HIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3ccc4cccnc4c3n1)[C@@H]2C ZINC001164859327 720940620 /nfs/dbraw/zinc/94/06/20/720940620.db2.gz MQWXXKDBJKXQJZ-QGZVFWFLSA-N 1 0 400.530 4.401 20 5 HIBDRO O=[N+]([O-])c1cccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc21 ZINC001164953748 722016990 /nfs/dbraw/zinc/01/69/90/722016990.db2.gz XXHVDHQDFHDGTF-UHFFFAOYSA-N 1 0 403.486 4.031 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850600 845430546 /nfs/dbraw/zinc/43/05/46/845430546.db2.gz AAZMWTRWHXEDHO-KRWDZBQOSA-N 1 0 413.543 4.378 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3cc(C(F)(F)F)ncc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000436312587 861617785 /nfs/dbraw/zinc/61/77/85/861617785.db2.gz NNSMKEDGOLGCLB-ZIAGYGMSSA-N 1 0 424.423 4.230 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)[NH+](C)C)cc1 ZINC000436320387 861624675 /nfs/dbraw/zinc/62/46/75/861624675.db2.gz VSUIUAVYDVOKDF-NRFANRHFSA-N 1 0 417.484 4.162 20 5 HIBDRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000015184127 846016319 /nfs/dbraw/zinc/01/63/19/846016319.db2.gz MFBXAUIVYSOLPG-UHFFFAOYSA-N 1 0 401.510 4.337 20 5 HIBDRO CC[N@H+](CCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1)CC1CC1 ZINC000436408506 861759217 /nfs/dbraw/zinc/75/92/17/861759217.db2.gz HGLZAHTWILXOJE-UHFFFAOYSA-N 1 0 400.445 4.347 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027605056 847327123 /nfs/dbraw/zinc/32/71/23/847327123.db2.gz SHDQZJLYXQUYOK-YOEHRIQHSA-N 1 0 405.545 4.090 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027605044 847327459 /nfs/dbraw/zinc/32/74/59/847327459.db2.gz SHDQZJLYXQUYOK-RHSMWYFYSA-N 1 0 405.545 4.090 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000027677136 847335452 /nfs/dbraw/zinc/33/54/52/847335452.db2.gz IPJDQLKUDQKCIF-IBGZPJMESA-N 1 0 410.499 4.433 20 5 HIBDRO C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000030510932 847724826 /nfs/dbraw/zinc/72/48/26/847724826.db2.gz FKIHZLKDWAZZJL-INIZCTEOSA-N 1 0 409.442 4.021 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000042127531 848290273 /nfs/dbraw/zinc/29/02/73/848290273.db2.gz YTTRARNLGJDKER-KRWDZBQOSA-N 1 0 413.543 4.165 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000043301772 848406066 /nfs/dbraw/zinc/40/60/66/848406066.db2.gz OBYAFZWCLFJKCS-GJZGRUSLSA-N 1 0 401.463 4.070 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000045567497 848692871 /nfs/dbraw/zinc/69/28/71/848692871.db2.gz OIMQTXXQEUJPGR-UHFFFAOYSA-N 1 0 418.497 4.323 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047400751 849040396 /nfs/dbraw/zinc/04/03/96/849040396.db2.gz RFINSTZQJPYIHM-MRXNPFEDSA-N 1 0 400.479 4.198 20 5 HIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000050629641 849399611 /nfs/dbraw/zinc/39/96/11/849399611.db2.gz ZWYXBPGTENTKHL-IIDMSEBBSA-N 1 0 414.531 4.196 20 5 HIBDRO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132241 849434341 /nfs/dbraw/zinc/43/43/41/849434341.db2.gz CURUIXZJRQGJKN-GHTZIAJQSA-N 1 0 408.458 4.245 20 5 HIBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133251 849435632 /nfs/dbraw/zinc/43/56/32/849435632.db2.gz RAZLPFVZWWUCQH-HRAATJIYSA-N 1 0 417.893 4.286 20 5 HIBDRO C[C@@H](Nc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000053476449 849717998 /nfs/dbraw/zinc/71/79/98/849717998.db2.gz JARORNOVENOBJS-MRXNPFEDSA-N 1 0 419.485 4.477 20 5 HIBDRO C[C@H](Nc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000053476447 849718111 /nfs/dbraw/zinc/71/81/11/849718111.db2.gz JARORNOVENOBJS-INIZCTEOSA-N 1 0 419.485 4.477 20 5 HIBDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000054295181 849842376 /nfs/dbraw/zinc/84/23/76/849842376.db2.gz SMNQCKHWOMEFKQ-UHFFFAOYSA-N 1 0 409.486 4.135 20 5 HIBDRO C[C@@H](c1nnc(SCc2ccccc2[N+](=O)[O-])n1-c1ccc(F)cc1)N(C)C ZINC000058165238 850776165 /nfs/dbraw/zinc/77/61/65/850776165.db2.gz IIVGHNCJDXHOHD-ZDUSSCGKSA-N 1 0 401.467 4.230 20 5 HIBDRO CCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000060509896 851127421 /nfs/dbraw/zinc/12/74/21/851127421.db2.gz XEERVKABEVQGML-GOSISDBHSA-N 1 0 417.531 4.258 20 5 HIBDRO O=C1CCCN1CCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000061002951 851269656 /nfs/dbraw/zinc/26/96/56/851269656.db2.gz WDQVIVXJRWLWSN-UHFFFAOYSA-N 1 0 403.866 4.143 20 5 HIBDRO CCNc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000061308879 851345383 /nfs/dbraw/zinc/34/53/83/851345383.db2.gz DCJDDFZWAWEGEQ-UHFFFAOYSA-N 1 0 414.531 4.136 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437046559 862238787 /nfs/dbraw/zinc/23/87/87/862238787.db2.gz NPDBNQWSFHBNPW-KDOFPFPSSA-N 1 0 421.419 4.397 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437046562 862239095 /nfs/dbraw/zinc/23/90/95/862239095.db2.gz NPDBNQWSFHBNPW-KSSFIOAISA-N 1 0 421.419 4.397 20 5 HIBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000064317291 851869635 /nfs/dbraw/zinc/86/96/35/851869635.db2.gz JYXCHCWOWXOVJJ-OAHLLOKOSA-N 1 0 405.401 4.047 20 5 HIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000064350155 851876714 /nfs/dbraw/zinc/87/67/14/851876714.db2.gz KGJUJPWLRGKZIT-GOSISDBHSA-N 1 0 423.307 4.008 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000064721577 851967530 /nfs/dbraw/zinc/96/75/30/851967530.db2.gz OXFVQLIMICJUCC-BEFAXECRSA-N 1 0 419.909 4.215 20 5 HIBDRO C[N@H+](Cc1ccccc1CNC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000065876476 852297711 /nfs/dbraw/zinc/29/77/11/852297711.db2.gz OQJQNUGGYNKJRU-UHFFFAOYSA-N 1 0 410.518 4.088 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000065938892 852327693 /nfs/dbraw/zinc/32/76/93/852327693.db2.gz GTYPAOVLJGAIKZ-UHFFFAOYSA-N 1 0 409.408 4.126 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)C[C@@H](C)O1 ZINC000071952671 852443525 /nfs/dbraw/zinc/44/35/25/852443525.db2.gz XFKOAZHYGRMTNE-IAGOWNOFSA-N 1 0 406.486 4.364 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)C1 ZINC000107959624 852812313 /nfs/dbraw/zinc/81/23/13/852812313.db2.gz HBVYNTYHFVRLEY-QGZVFWFLSA-N 1 0 419.485 4.265 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000108093792 852821809 /nfs/dbraw/zinc/82/18/09/852821809.db2.gz RQSIBVOUZJENTF-UHFFFAOYSA-N 1 0 410.518 4.118 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000141353014 853468870 /nfs/dbraw/zinc/46/88/70/853468870.db2.gz LQWYNULSFFNNOL-APWZRJJASA-N 1 0 403.866 4.087 20 5 HIBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000213223569 853824756 /nfs/dbraw/zinc/82/47/56/853824756.db2.gz ZDRJJIAQHXOUAL-RAXLEYEMSA-N 1 0 401.466 4.106 20 5 HIBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])oc21 ZINC000216756348 853858524 /nfs/dbraw/zinc/85/85/24/853858524.db2.gz DPUHBJOACZTTAF-CYBMUJFWSA-N 1 0 413.430 4.038 20 5 HIBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000226692615 853882121 /nfs/dbraw/zinc/88/21/21/853882121.db2.gz ATLKPUDTJIGJOQ-SJORKVTESA-N 1 0 422.957 4.019 20 5 HIBDRO CC(C)N1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000236616809 853902555 /nfs/dbraw/zinc/90/25/55/853902555.db2.gz BSHAKBVSBCKPRH-INIZCTEOSA-N 1 0 403.866 4.139 20 5 HIBDRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000236689361 853912129 /nfs/dbraw/zinc/91/21/29/853912129.db2.gz IRAQCGVHNAXFIG-IRXDYDNUSA-N 1 0 401.532 4.496 20 5 HIBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236882496 853931838 /nfs/dbraw/zinc/93/18/38/853931838.db2.gz DJWBQAUDOMRDFI-ZIAGYGMSSA-N 1 0 405.882 4.433 20 5 HIBDRO CCN(CC)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000236897275 853933996 /nfs/dbraw/zinc/93/39/96/853933996.db2.gz PRCPVJVNZFIDMX-JOCHJYFZSA-N 1 0 407.518 4.168 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000236934256 853939257 /nfs/dbraw/zinc/93/92/57/853939257.db2.gz LEJUPHLIDDORJD-FQEVSTJZSA-N 1 0 411.502 4.145 20 5 HIBDRO CC[N@@H+]1CCC[C@H](CNCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000236932981 853939540 /nfs/dbraw/zinc/93/95/40/853939540.db2.gz FPKPXMIQBYRKMF-LJQANCHMSA-N 1 0 413.518 4.004 20 5 HIBDRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000237074562 853959718 /nfs/dbraw/zinc/95/97/18/853959718.db2.gz DWWBNUPAMATUOJ-UHFFFAOYSA-N 1 0 409.511 4.357 20 5 HIBDRO CC[C@H](C(=O)N1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000237076387 853960941 /nfs/dbraw/zinc/96/09/41/853960941.db2.gz DOJWADVBHLJYCL-UBQCRTFRSA-N 1 0 407.514 4.382 20 5 HIBDRO COc1cc(C[NH2+]CCc2cc(F)ccc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237194120 853979469 /nfs/dbraw/zinc/97/94/69/853979469.db2.gz GTXQJVRMOPXFFD-UHFFFAOYSA-N 1 0 420.334 4.155 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc(C)nc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237195858 853979614 /nfs/dbraw/zinc/97/96/14/853979614.db2.gz MZJXLOGUIPIWSW-UHFFFAOYSA-N 1 0 407.470 4.218 20 5 HIBDRO C[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@@H+]1Cc1ccccc1 ZINC000237487045 854043186 /nfs/dbraw/zinc/04/31/86/854043186.db2.gz TXZMYTNWWQTPTO-VQIMIIECSA-N 1 0 408.527 4.471 20 5 HIBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237743824 854087736 /nfs/dbraw/zinc/08/77/36/854087736.db2.gz GEBUQGGHMRGHAH-QZTJIDSGSA-N 1 0 409.280 4.258 20 5 HIBDRO Cn1cc(C[NH2+]CCCc2nc3c(s2)CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237758940 854090988 /nfs/dbraw/zinc/09/09/88/854090988.db2.gz LKVOPZNCCMXFTO-UHFFFAOYSA-N 1 0 411.531 4.053 20 5 HIBDRO Cn1cc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769144 854092815 /nfs/dbraw/zinc/09/28/15/854092815.db2.gz NECNAFICMNYGIG-AUSIDOKSSA-N 1 0 406.486 4.253 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000237775530 854095202 /nfs/dbraw/zinc/09/52/02/854095202.db2.gz JROQTAKTUWFGFU-UHFFFAOYSA-N 1 0 422.572 4.357 20 5 HIBDRO Cn1cc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237780190 854095741 /nfs/dbraw/zinc/09/57/41/854095741.db2.gz BAGHFVGAERMQAO-UHFFFAOYSA-N 1 0 419.485 4.024 20 5 HIBDRO O=C(CC1CCCC1)NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237815564 854101985 /nfs/dbraw/zinc/10/19/85/854101985.db2.gz XMXNHMTXCKNERF-UHFFFAOYSA-N 1 0 405.882 4.294 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOCC3CCOCC3)o2)c(Cl)c1 ZINC000237815155 854102230 /nfs/dbraw/zinc/10/22/30/854102230.db2.gz BZPHYTLTWJNDRV-UHFFFAOYSA-N 1 0 408.882 4.431 20 5 HIBDRO O=C(CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000237879951 854113826 /nfs/dbraw/zinc/11/38/26/854113826.db2.gz WHQHDYYSXYJEFB-UHFFFAOYSA-N 1 0 401.438 4.018 20 5 HIBDRO Cn1cc(C[NH2+]Cc2cc(Br)ccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237930099 854121013 /nfs/dbraw/zinc/12/10/13/854121013.db2.gz DFICNLMOVQXLTK-UHFFFAOYSA-N 1 0 419.254 4.187 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2CO)cc1 ZINC000237981455 854128655 /nfs/dbraw/zinc/12/86/55/854128655.db2.gz QMQHPHABOZMAPF-UHFFFAOYSA-N 1 0 414.465 4.230 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)COc3ccc(F)cc3)o2)c(Cl)c1 ZINC000238065396 854139612 /nfs/dbraw/zinc/13/96/12/854139612.db2.gz QTXUDKKANIUCJK-HNNXBMFYSA-N 1 0 420.824 4.177 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000238101370 854143780 /nfs/dbraw/zinc/14/37/80/854143780.db2.gz ZVNUZLZWIQRDCR-HTAPYJJXSA-N 1 0 406.486 4.088 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301106942 854297599 /nfs/dbraw/zinc/29/75/99/854297599.db2.gz QAFUHXLDBSXMQJ-HOTGVXAUSA-N 1 0 421.501 4.334 20 5 HIBDRO C[NH+]1CCN(C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301147331 854311960 /nfs/dbraw/zinc/31/19/60/854311960.db2.gz HNGPTLHVMNXVKK-GOSISDBHSA-N 1 0 408.424 4.014 20 5 HIBDRO Cn1c(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000301262757 854342001 /nfs/dbraw/zinc/34/20/01/854342001.db2.gz DIQDXAOIUVFFOL-MRVPVSSYSA-N 1 0 421.832 4.014 20 5 HIBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301433488 854393526 /nfs/dbraw/zinc/39/35/26/854393526.db2.gz RCPQYYRUILTVLW-UZLBHIALSA-N 1 0 416.547 4.290 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301528416 854413382 /nfs/dbraw/zinc/41/33/82/854413382.db2.gz JZCQZJWYTKXEBC-CYBMUJFWSA-N 1 0 405.296 4.390 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)nc1-c1ccccc1 ZINC000301857156 854477461 /nfs/dbraw/zinc/47/74/61/854477461.db2.gz IXPBAFKRLWFGBS-UHFFFAOYSA-N 1 0 418.497 4.226 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301936091 854497716 /nfs/dbraw/zinc/49/77/16/854497716.db2.gz PUMGMASZINKYNQ-AWEZNQCLSA-N 1 0 423.560 4.046 20 5 HIBDRO Cc1cc(NCc2ccccc2C[NH+]2CCC(O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301987493 854510480 /nfs/dbraw/zinc/51/04/80/854510480.db2.gz DJZBXUQNKZIZFV-UHFFFAOYSA-N 1 0 406.486 4.020 20 5 HIBDRO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302158914 854539978 /nfs/dbraw/zinc/53/99/78/854539978.db2.gz JHISOOYLRWOOHD-UHFFFAOYSA-N 1 0 410.861 4.067 20 5 HIBDRO Cc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302181964 854545327 /nfs/dbraw/zinc/54/53/27/854545327.db2.gz OCXLQVKQNLVGRF-UHFFFAOYSA-N 1 0 400.479 4.287 20 5 HIBDRO Cc1cc(N2CCC(CNC(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302188977 854545867 /nfs/dbraw/zinc/54/58/67/854545867.db2.gz QKJVTBGHBFQTED-UHFFFAOYSA-N 1 0 400.479 4.193 20 5 HIBDRO Cc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302204994 854549978 /nfs/dbraw/zinc/54/99/78/854549978.db2.gz WNTFTDMZNSUIRE-INIZCTEOSA-N 1 0 406.490 4.153 20 5 HIBDRO Cc1cc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302203401 854550121 /nfs/dbraw/zinc/55/01/21/854550121.db2.gz VYVFMOQJYBAORM-OAQYLSRUSA-N 1 0 406.442 4.181 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303333533 854878223 /nfs/dbraw/zinc/87/82/23/854878223.db2.gz DDHHAJALKLQVOZ-CQSZACIVSA-N 1 0 418.457 4.462 20 5 HIBDRO O=C1[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303420482 854923082 /nfs/dbraw/zinc/92/30/82/854923082.db2.gz UNAVFEOUYLYROI-GOTSBHOMSA-N 1 0 401.466 4.274 20 5 HIBDRO O=C1[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303420483 854923479 /nfs/dbraw/zinc/92/34/79/854923479.db2.gz UNAVFEOUYLYROI-PKTZIBPZSA-N 1 0 401.466 4.274 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000303745833 855168073 /nfs/dbraw/zinc/16/80/73/855168073.db2.gz JWMZBERHVRXDDS-UTKZUKDTSA-N 1 0 422.529 4.294 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303809748 855213840 /nfs/dbraw/zinc/21/38/40/855213840.db2.gz YQDTWBFSXKQEMJ-WBVHZDCISA-N 1 0 401.894 4.373 20 5 HIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000409555734 855540108 /nfs/dbraw/zinc/54/01/08/855540108.db2.gz VDELXUOWPSZEOU-UHFFFAOYSA-N 1 0 424.320 4.309 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000409858280 855691824 /nfs/dbraw/zinc/69/18/24/855691824.db2.gz JUDZSVUMOXYCHY-GFCCVEGCSA-N 1 0 422.279 4.045 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995116 856036989 /nfs/dbraw/zinc/03/69/89/856036989.db2.gz KBBXCZJZUWUIGF-XLIONFOSSA-N 1 0 408.502 4.104 20 5 HIBDRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425996757 856037712 /nfs/dbraw/zinc/03/77/12/856037712.db2.gz STZBSUFPLHWYBR-UHFFFAOYSA-N 1 0 408.506 4.112 20 5 HIBDRO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000426133122 856128574 /nfs/dbraw/zinc/12/85/74/856128574.db2.gz GWFKIZHWFOQULF-SFHVURJKSA-N 1 0 411.502 4.024 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426264789 856209346 /nfs/dbraw/zinc/20/93/46/856209346.db2.gz SBTJGLHQWWKBAM-UHFFFAOYSA-N 1 0 410.518 4.309 20 5 HIBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000426551562 856344682 /nfs/dbraw/zinc/34/46/82/856344682.db2.gz ZNHVVRFDCFFMCW-MRXNPFEDSA-N 1 0 401.532 4.008 20 5 HIBDRO C[C@]1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000428322364 857152334 /nfs/dbraw/zinc/15/23/34/857152334.db2.gz DSFZJUMJJNJUCP-HXUWFJFHSA-N 1 0 421.419 4.398 20 5 HIBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000428471724 857212401 /nfs/dbraw/zinc/21/24/01/857212401.db2.gz YQXUSDDREGTRGN-QHCPKHFHSA-N 1 0 414.502 4.167 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000428919154 857414607 /nfs/dbraw/zinc/41/46/07/857414607.db2.gz DSNKZUNKYVJFBB-BBTUJRGHSA-N 1 0 410.518 4.317 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(O)c1 ZINC000429282544 857590445 /nfs/dbraw/zinc/59/04/45/857590445.db2.gz CHEITSITMHGGLD-OLZOCXBDSA-N 1 0 412.471 4.102 20 5 HIBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000429430553 857663404 /nfs/dbraw/zinc/66/34/04/857663404.db2.gz RXVKTNVJMQLMSQ-GOEBONIOSA-N 1 0 407.308 4.168 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000429430552 857663746 /nfs/dbraw/zinc/66/37/46/857663746.db2.gz RXVKTNVJMQLMSQ-GDBMZVCRSA-N 1 0 407.308 4.168 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000429459134 857682616 /nfs/dbraw/zinc/68/26/16/857682616.db2.gz XMTQIYLHQOBSFJ-NVXWUHKLSA-N 1 0 421.335 4.119 20 5 HIBDRO CC(C)(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429848443 857909321 /nfs/dbraw/zinc/90/93/21/857909321.db2.gz ICLZTOVQLPSTAA-UHFFFAOYSA-N 1 0 415.921 4.307 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC4(CC3)CCS(=O)(=O)CC4)s2)cc1 ZINC000430201502 858080240 /nfs/dbraw/zinc/08/02/40/858080240.db2.gz KAYYKEAANJCKON-UHFFFAOYSA-N 1 0 420.556 4.114 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2[N+](=O)[O-])n1 ZINC000430420479 858153030 /nfs/dbraw/zinc/15/30/30/858153030.db2.gz BDLQUUZRCKYSEX-OAHLLOKOSA-N 1 0 420.560 4.067 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430765874 858296054 /nfs/dbraw/zinc/29/60/54/858296054.db2.gz TVCZTNACTANBOB-ZOCZFRKYSA-N 1 0 402.516 4.482 20 5 HIBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437674801 863016344 /nfs/dbraw/zinc/01/63/44/863016344.db2.gz MXDMMBDUIXFKJX-HXUWFJFHSA-N 1 0 412.490 4.089 20 5 HIBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000431162800 858479977 /nfs/dbraw/zinc/47/99/77/858479977.db2.gz KVCNSERCCJGPFX-UHFFFAOYSA-N 1 0 424.339 4.086 20 5 HIBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000433151315 859542597 /nfs/dbraw/zinc/54/25/97/859542597.db2.gz YUDVHQDCRXSVAB-AUUYWEPGSA-N 1 0 400.475 4.048 20 5 HIBDRO COc1ccccc1-c1noc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000433168683 859551527 /nfs/dbraw/zinc/55/15/27/859551527.db2.gz OAYHQCOMBCRXGE-UHFFFAOYSA-N 1 0 408.458 4.341 20 5 HIBDRO CC1(C)C[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433171024 859551815 /nfs/dbraw/zinc/55/18/15/859551815.db2.gz BSPDBSCRZNLMMF-FQEVSTJZSA-N 1 0 424.497 4.384 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433174315 859553838 /nfs/dbraw/zinc/55/38/38/859553838.db2.gz MYHDGXYCIYRKMX-JOCHJYFZSA-N 1 0 403.482 4.317 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302878 859626970 /nfs/dbraw/zinc/62/69/70/859626970.db2.gz YUGIQYTYHJQOOF-OAHLLOKOSA-N 1 0 401.850 4.036 20 5 HIBDRO Cc1nc2c(n1[C@@H]1CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C1)CCCC2 ZINC000434486531 860369774 /nfs/dbraw/zinc/36/97/74/860369774.db2.gz RAXNWFHORYBHNZ-LJQANCHMSA-N 1 0 421.501 4.123 20 5 HIBDRO CCn1nccc1C1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000435029726 860606533 /nfs/dbraw/zinc/60/65/33/860606533.db2.gz ZSQAJAWSAXRBFK-UHFFFAOYSA-N 1 0 410.474 4.459 20 5 HIBDRO Cc1c(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000435326527 860737656 /nfs/dbraw/zinc/73/76/56/860737656.db2.gz DDTHTTUHKWIGCM-UHFFFAOYSA-N 1 0 421.295 4.049 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3([S@](C)=O)CCC3)cc2[N+](=O)[O-])cc1 ZINC000435736748 861018684 /nfs/dbraw/zinc/01/86/84/861018684.db2.gz YSSFRDGFRLYMEJ-MHZLTWQESA-N 1 0 404.557 4.445 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000437875266 863236165 /nfs/dbraw/zinc/23/61/65/863236165.db2.gz SSMPMUNMOCLICM-QGZVFWFLSA-N 1 0 421.516 4.347 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000437973126 863342559 /nfs/dbraw/zinc/34/25/59/863342559.db2.gz ATMXBRMFHZQNOX-QGZVFWFLSA-N 1 0 410.518 4.398 20 5 HIBDRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000467856418 881706468 /nfs/dbraw/zinc/70/64/68/881706468.db2.gz YPYMEZYLMLPUKS-CQSZACIVSA-N 1 0 420.307 4.057 20 5 HIBDRO CC(C)CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438844334 864338701 /nfs/dbraw/zinc/33/87/01/864338701.db2.gz XPSTUMABDDDLEB-MRXNPFEDSA-N 1 0 415.321 4.007 20 5 HIBDRO Cc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000438944198 864419727 /nfs/dbraw/zinc/41/97/27/864419727.db2.gz DEBYAZJOXJJOQD-UHFFFAOYSA-N 1 0 418.881 4.008 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438953400 864425379 /nfs/dbraw/zinc/42/53/79/864425379.db2.gz OLWONKGMQGJLGS-NVXWUHKLSA-N 1 0 401.894 4.197 20 5 HIBDRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000467984623 881833664 /nfs/dbraw/zinc/83/36/64/881833664.db2.gz PTNYYVQXKMEMDP-QHCPKHFHSA-N 1 0 419.481 4.424 20 5 HIBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000439764062 865088186 /nfs/dbraw/zinc/08/81/86/865088186.db2.gz BNLXIKXDXYRLTI-INIZCTEOSA-N 1 0 410.518 4.243 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000439879913 865190734 /nfs/dbraw/zinc/19/07/34/865190734.db2.gz HVCBWAOEWQFPSF-UHFFFAOYSA-N 1 0 406.527 4.359 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000439883904 865194876 /nfs/dbraw/zinc/19/48/76/865194876.db2.gz VGKFJGSHJGETTK-LIRRHRJNSA-N 1 0 418.519 4.260 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000439884860 865196254 /nfs/dbraw/zinc/19/62/54/865196254.db2.gz XDWIBPWGAIOVEC-FUHWJXTLSA-N 1 0 412.490 4.168 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440520966 865803834 /nfs/dbraw/zinc/80/38/34/865803834.db2.gz AKWFIFZMOIEYBF-QGZVFWFLSA-N 1 0 401.894 4.232 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441065030 866149513 /nfs/dbraw/zinc/14/95/13/866149513.db2.gz NYIVXUDHMQXHLV-LBPRGKRZSA-N 1 0 401.410 4.329 20 5 HIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000441100722 866196489 /nfs/dbraw/zinc/19/64/89/866196489.db2.gz ZQFGBROJPQATGL-LBPRGKRZSA-N 1 0 401.410 4.329 20 5 HIBDRO COc1ccc(OCC[N@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)c([N+](=O)[O-])c1 ZINC000441236506 866311325 /nfs/dbraw/zinc/31/13/25/866311325.db2.gz ZHWABECLSCHRMA-UHFFFAOYSA-N 1 0 424.501 4.225 20 5 HIBDRO CCN(C(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000441815152 866876897 /nfs/dbraw/zinc/87/68/97/866876897.db2.gz QSZUFWPUPYYEDY-KRWDZBQOSA-N 1 0 403.523 4.008 20 5 HIBDRO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000442716440 867644178 /nfs/dbraw/zinc/64/41/78/867644178.db2.gz QWMYUJHKGFAYBE-QGZVFWFLSA-N 1 0 411.527 4.304 20 5 HIBDRO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000442729854 867653179 /nfs/dbraw/zinc/65/31/79/867653179.db2.gz BZSCNNAFAGJDEZ-UHFFFAOYSA-N 1 0 411.527 4.446 20 5 HIBDRO COc1ccc([C@@H](CNc2cc(C)nc3c2cccc3[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000443442311 868028066 /nfs/dbraw/zinc/02/80/66/868028066.db2.gz CIOOJGZRGQKBJL-LJQANCHMSA-N 1 0 410.474 4.183 20 5 HIBDRO O=C(CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000443643538 868231394 /nfs/dbraw/zinc/23/13/94/868231394.db2.gz BIFUIGVKHPSYHH-CQSZACIVSA-N 1 0 412.421 4.083 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@@H+]1Cc1ccccc1 ZINC000444222767 868674649 /nfs/dbraw/zinc/67/46/49/868674649.db2.gz GKTBDKFBHCWMPW-YLJYHZDGSA-N 1 0 411.505 4.074 20 5 HIBDRO CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000444232513 868681789 /nfs/dbraw/zinc/68/17/89/868681789.db2.gz AQYUYBPKFVQUCW-FQEVSTJZSA-N 1 0 411.505 4.028 20 5 HIBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444245001 868693417 /nfs/dbraw/zinc/69/34/17/868693417.db2.gz CDQYEXFUFPVNIX-MRXNPFEDSA-N 1 0 409.505 4.061 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444825991 869035093 /nfs/dbraw/zinc/03/50/93/869035093.db2.gz GCULUXXMCRDQQV-UHFFFAOYSA-N 1 0 411.505 4.076 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000444910534 869097124 /nfs/dbraw/zinc/09/71/24/869097124.db2.gz FRLJDYHAQGWMFO-UHFFFAOYSA-N 1 0 424.501 4.123 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000444932673 869114477 /nfs/dbraw/zinc/11/44/77/869114477.db2.gz WONNFFRYZLDRDU-HSZRJFAPSA-N 1 0 424.501 4.123 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445001581 869156539 /nfs/dbraw/zinc/15/65/39/869156539.db2.gz VLVSVDOGNUDRRP-MOPGFXCFSA-N 1 0 417.553 4.408 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000445493531 869562325 /nfs/dbraw/zinc/56/23/25/869562325.db2.gz PMKKPJUGYBBOQJ-GOSISDBHSA-N 1 0 422.529 4.095 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000445987781 869950934 /nfs/dbraw/zinc/95/09/34/869950934.db2.gz IOVSRQOFSZKEME-DLBZAZTESA-N 1 0 407.392 4.138 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)[NH+]1CCCCC1 ZINC000446499980 870418350 /nfs/dbraw/zinc/41/83/50/870418350.db2.gz UCJLHWRJDDLLBR-HXUWFJFHSA-N 1 0 412.490 4.261 20 5 HIBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000446890754 870809579 /nfs/dbraw/zinc/80/95/79/870809579.db2.gz OYKSRFHJMODWDL-HXUWFJFHSA-N 1 0 403.504 4.130 20 5 HIBDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000447077164 870963381 /nfs/dbraw/zinc/96/33/81/870963381.db2.gz POMFATPQXAGXCV-AWEZNQCLSA-N 1 0 415.881 4.000 20 5 HIBDRO O=C(CCc1ccccc1)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447533481 871398325 /nfs/dbraw/zinc/39/83/25/871398325.db2.gz XSCIRDAIEQWPFC-HSZRJFAPSA-N 1 0 407.514 4.186 20 5 HIBDRO COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543786 871410488 /nfs/dbraw/zinc/41/04/88/871410488.db2.gz MIXTXBKCYNROQW-PMACEKPBSA-N 1 0 423.473 4.261 20 5 HIBDRO O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447574838 871476080 /nfs/dbraw/zinc/47/60/80/871476080.db2.gz OWNQENGTMSHTEJ-OAQYLSRUSA-N 1 0 400.523 4.069 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)n1 ZINC000447590357 871496634 /nfs/dbraw/zinc/49/66/34/871496634.db2.gz CALLIXLWJUWMOZ-QILLFSRXSA-N 1 0 423.439 4.162 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)n1 ZINC000447590358 871497895 /nfs/dbraw/zinc/49/78/95/871497895.db2.gz CALLIXLWJUWMOZ-UWWQBHOKSA-N 1 0 423.439 4.162 20 5 HIBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1cccs1 ZINC000447675128 871609522 /nfs/dbraw/zinc/60/95/22/871609522.db2.gz KPCVXULICHOPBH-NSHDSACASA-N 1 0 410.368 4.420 20 5 HIBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cccc21 ZINC000447722897 871665504 /nfs/dbraw/zinc/66/55/04/871665504.db2.gz LWAZJYQLVQLKBX-JOCHJYFZSA-N 1 0 413.477 4.319 20 5 HIBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000447807163 871740068 /nfs/dbraw/zinc/74/00/68/871740068.db2.gz QEKFQEFZBQCNDW-UHFFFAOYSA-N 1 0 424.545 4.025 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@@H](CO)[C@@H]3CCCO3)cc2[N+](=O)[O-])c1 ZINC000447983797 871834647 /nfs/dbraw/zinc/83/46/47/871834647.db2.gz UFOBIZUHTQGXSD-FPOVZHCZSA-N 1 0 414.502 4.448 20 5 HIBDRO CO[C@](C)(C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000461063299 873942073 /nfs/dbraw/zinc/94/20/73/873942073.db2.gz VTEOWINVOUUUGE-TZIWHRDSSA-N 1 0 417.893 4.333 20 5 HIBDRO CO[C@@](C)(C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000461063295 873942828 /nfs/dbraw/zinc/94/28/28/873942828.db2.gz VTEOWINVOUUUGE-CTNGQTDRSA-N 1 0 417.893 4.333 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)C2CCOCC2)ccc1Oc1ccccc1Cl ZINC000461420278 874444191 /nfs/dbraw/zinc/44/41/91/874444191.db2.gz PNMWGDFATDSPLA-GOSISDBHSA-N 1 0 420.893 4.308 20 5 HIBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461438899 874492530 /nfs/dbraw/zinc/49/25/30/874492530.db2.gz NQQPNJHFKCHGIX-HXUWFJFHSA-N 1 0 422.529 4.155 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461447331 874505966 /nfs/dbraw/zinc/50/59/66/874505966.db2.gz VZYSFLFCBWZSMU-SFHVURJKSA-N 1 0 409.486 4.335 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462158500 875254635 /nfs/dbraw/zinc/25/46/35/875254635.db2.gz LXZDPGYXLJSYMQ-UZLBHIALSA-N 1 0 413.543 4.346 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000462601166 875716048 /nfs/dbraw/zinc/71/60/48/875716048.db2.gz HARASVSTYCWYTR-QNGMFEMESA-N 1 0 401.551 4.323 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462617191 875728568 /nfs/dbraw/zinc/72/85/68/875728568.db2.gz NHLBDJVVWFIPRX-AAIMPIBUSA-N 1 0 409.530 4.190 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462621717 875733466 /nfs/dbraw/zinc/73/34/66/875733466.db2.gz RZDKCRBPAVSZKU-KNQAVFIVSA-N 1 0 409.530 4.287 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000462863029 875895203 /nfs/dbraw/zinc/89/52/03/875895203.db2.gz XYHJFSFIPHQHEE-CQSZACIVSA-N 1 0 412.820 4.490 20 5 HIBDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000462872383 875902567 /nfs/dbraw/zinc/90/25/67/875902567.db2.gz FEYJEWDFOVLOMT-UHFFFAOYSA-N 1 0 402.454 4.980 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000462926876 875955883 /nfs/dbraw/zinc/95/58/83/875955883.db2.gz LNOJEGFTKCAGIV-RTWAWAEBSA-N 1 0 401.551 4.134 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000462991203 876006050 /nfs/dbraw/zinc/00/60/50/876006050.db2.gz UISSVTHXYGFKEW-UGKGYDQZSA-N 1 0 409.530 4.287 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000463091546 876124896 /nfs/dbraw/zinc/12/48/96/876124896.db2.gz ZQVDKKSBXSFXFR-KRWDZBQOSA-N 1 0 423.435 4.297 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463124044 876166581 /nfs/dbraw/zinc/16/65/81/876166581.db2.gz MDJHFNLQJGAIGZ-UHFFFAOYSA-N 1 0 409.408 4.385 20 5 HIBDRO 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 876209257 /nfs/dbraw/zinc/20/92/57/876209257.db2.gz KQYHZJSTNHIEHO-BETUJISGSA-N 1 0 401.429 4.100 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000463349776 876403331 /nfs/dbraw/zinc/40/33/31/876403331.db2.gz NJEXIZPJGUUSAH-SFHVURJKSA-N 1 0 409.408 4.427 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463400785 876454224 /nfs/dbraw/zinc/45/42/24/876454224.db2.gz ZXBIFDSFMSBYKH-UHFFFAOYSA-N 1 0 409.408 4.384 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@](CO)(Cc4ccccc4)C3)co2)cc1 ZINC000463439569 876497449 /nfs/dbraw/zinc/49/74/49/876497449.db2.gz AEEAXFMDXDNDSJ-QHCPKHFHSA-N 1 0 407.470 4.067 20 5 HIBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463833826 876954058 /nfs/dbraw/zinc/95/40/58/876954058.db2.gz CJWLINMFGOBJGR-UHFFFAOYSA-N 1 0 411.380 4.196 20 5 HIBDRO COc1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000464677129 877894209 /nfs/dbraw/zinc/89/42/09/877894209.db2.gz LOMICPBOMILTQC-APWZRJJASA-N 1 0 401.482 4.227 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000464824837 878078942 /nfs/dbraw/zinc/07/89/42/878078942.db2.gz BLRGHXFKHFTSGT-OAQYLSRUSA-N 1 0 409.486 4.086 20 5 HIBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000503455871 912479038 /nfs/dbraw/zinc/47/90/38/912479038.db2.gz AKBZTKGHNMZTEO-LJQANCHMSA-N 1 0 423.469 4.173 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cn4c(n3)SCC4)o2)c(Cl)c1 ZINC000466463013 880243833 /nfs/dbraw/zinc/24/38/33/880243833.db2.gz WYXXQQZBOSGRMM-UHFFFAOYSA-N 1 0 404.879 4.143 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000467001597 880810609 /nfs/dbraw/zinc/81/06/09/880810609.db2.gz IPGMVNFHXGQQQP-XJKSGUPXSA-N 1 0 407.392 4.065 20 5 HIBDRO Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(-n2cc(Cl)cn2)n1 ZINC000469103750 883194980 /nfs/dbraw/zinc/19/49/80/883194980.db2.gz ZLMILMAYZPMUMO-LJQANCHMSA-N 1 0 411.893 4.248 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000469936611 884131629 /nfs/dbraw/zinc/13/16/29/884131629.db2.gz BDBPWNIHAZGWFI-UHFFFAOYSA-N 1 0 420.307 4.380 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000470118629 884379799 /nfs/dbraw/zinc/37/97/99/884379799.db2.gz AHUVOTHTAYMGOA-UHFFFAOYSA-N 1 0 406.280 4.451 20 5 HIBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000470122461 884383509 /nfs/dbraw/zinc/38/35/09/884383509.db2.gz MJZPCAUTUDYUFF-DYESRHJHSA-N 1 0 412.465 4.252 20 5 HIBDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470171141 884450185 /nfs/dbraw/zinc/45/01/85/884450185.db2.gz GBJOFKIDVYMCNF-OBHPCNEJSA-N 1 0 413.440 4.121 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000470173217 884454523 /nfs/dbraw/zinc/45/45/23/884454523.db2.gz JXOSEWCTOGOKHL-LFIBNONCSA-N 1 0 423.469 4.078 20 5 HIBDRO COc1cc2c(c(OC)c1OC)CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000470173816 884456381 /nfs/dbraw/zinc/45/63/81/884456381.db2.gz GBTGQJLULTYMDL-FOWTUZBSSA-N 1 0 412.486 4.125 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470665966 885093959 /nfs/dbraw/zinc/09/39/59/885093959.db2.gz GYBVOSAGQRLPEL-PXNSSMCTSA-N 1 0 413.543 4.198 20 5 HIBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470815033 885304024 /nfs/dbraw/zinc/30/40/24/885304024.db2.gz XOPRQJLIDHNTQG-KRWDZBQOSA-N 1 0 421.419 4.350 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C[N@H+](C)CC4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000470868756 885357276 /nfs/dbraw/zinc/35/72/76/885357276.db2.gz RGLXNXBYUUBSNP-IBGZPJMESA-N 1 0 422.529 4.324 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000470979576 885481330 /nfs/dbraw/zinc/48/13/30/885481330.db2.gz LOJPGVILMOBLKS-IEBWSBKVSA-N 1 0 411.502 4.119 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471390450 886038816 /nfs/dbraw/zinc/03/88/16/886038816.db2.gz ZCXPXCMHZUWIJQ-HDICACEKSA-N 1 0 407.495 4.014 20 5 HIBDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC[N@@H+]2C2CC2)c1 ZINC000471952393 886760120 /nfs/dbraw/zinc/76/01/20/886760120.db2.gz GQWACNSYRZZEGU-FPOVZHCZSA-N 1 0 410.474 4.011 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000472075981 886878293 /nfs/dbraw/zinc/87/82/93/886878293.db2.gz XMJCJDNQXVROIS-NRFANRHFSA-N 1 0 420.494 4.332 20 5 HIBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000472234855 887041606 /nfs/dbraw/zinc/04/16/06/887041606.db2.gz UAAVOGVDFGUHNC-OAHLLOKOSA-N 1 0 411.325 4.113 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000472502685 887370445 /nfs/dbraw/zinc/37/04/45/887370445.db2.gz OXZRSIXIKPJJSO-GJZGRUSLSA-N 1 0 401.894 4.135 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472638535 887503175 /nfs/dbraw/zinc/50/31/75/887503175.db2.gz QBSDAVZIPSUTLL-QHCPKHFHSA-N 1 0 409.486 4.202 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000473505222 888231287 /nfs/dbraw/zinc/23/12/87/888231287.db2.gz ASRUPIWYLKBQLO-KRWDZBQOSA-N 1 0 406.486 4.455 20 5 HIBDRO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473790448 888604670 /nfs/dbraw/zinc/60/46/70/888604670.db2.gz UXNUXWIBEJWBGM-SIKLNZKXSA-N 1 0 408.502 4.422 20 5 HIBDRO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473945101 888821788 /nfs/dbraw/zinc/82/17/88/888821788.db2.gz MJMIISFKIKAFIZ-XMSQKQJNSA-N 1 0 410.518 4.004 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000474017184 888871570 /nfs/dbraw/zinc/87/15/70/888871570.db2.gz APAPDQGBNFUSKC-FQEVSTJZSA-N 1 0 424.856 4.426 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474355803 889232909 /nfs/dbraw/zinc/23/29/09/889232909.db2.gz SWPIDNUXQFWJMV-FQEVSTJZSA-N 1 0 422.428 4.302 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)c(Cl)c1 ZINC000504560337 913333084 /nfs/dbraw/zinc/33/30/84/913333084.db2.gz GUFNKORDMJLHOY-INIZCTEOSA-N 1 0 419.909 4.052 20 5 HIBDRO Cc1c(Br)cc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000474627389 889489671 /nfs/dbraw/zinc/48/96/71/889489671.db2.gz FNXQYBCHFJZENM-UHFFFAOYSA-N 1 0 406.280 4.022 20 5 HIBDRO Cc1ccc([C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000475334884 890253924 /nfs/dbraw/zinc/25/39/24/890253924.db2.gz FLHHZLRDVDRLRN-GAJHUEQPSA-N 1 0 404.470 4.395 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CC3CCC3)o2)c(Br)c1 ZINC000475508766 890426343 /nfs/dbraw/zinc/42/63/43/890426343.db2.gz AEUPQCJSZGBESH-CYBMUJFWSA-N 1 0 409.280 4.258 20 5 HIBDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC[N@@H+]2C2CC2)c1 ZINC000475564630 890494421 /nfs/dbraw/zinc/49/44/21/890494421.db2.gz NBIWFSYPHQVXEJ-KNQAVFIVSA-N 1 0 424.501 4.320 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475711503 890649937 /nfs/dbraw/zinc/64/99/37/890649937.db2.gz WKLXDVJAFQKOAT-UHFFFAOYSA-N 1 0 411.380 4.265 20 5 HIBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476181160 891113114 /nfs/dbraw/zinc/11/31/14/891113114.db2.gz OGRUUSGETDJILS-LPHOPBHVSA-N 1 0 410.474 4.478 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-n2nc(C)cc2C)nc1 ZINC000504894814 913624899 /nfs/dbraw/zinc/62/48/99/913624899.db2.gz ONOVQULEVVMPOQ-GOSISDBHSA-N 1 0 411.531 4.453 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-n2nc(C)cc2C)nc1 ZINC000504894815 913625855 /nfs/dbraw/zinc/62/58/55/913625855.db2.gz ONOVQULEVVMPOQ-SFHVURJKSA-N 1 0 411.531 4.453 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000504899234 913630501 /nfs/dbraw/zinc/63/05/01/913630501.db2.gz CNYHFVZWXZDJSM-CQSZACIVSA-N 1 0 403.445 4.309 20 5 HIBDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000477232671 892173236 /nfs/dbraw/zinc/17/32/36/892173236.db2.gz JFFZUPUAGLRJRD-HXPMCKFVSA-N 1 0 403.866 4.325 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000504912365 913647042 /nfs/dbraw/zinc/64/70/42/913647042.db2.gz VEGBNPPEISHVCZ-QGZVFWFLSA-N 1 0 415.563 4.131 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000477589673 892663234 /nfs/dbraw/zinc/66/32/34/892663234.db2.gz JYOUWDDMQFSTQH-GOSISDBHSA-N 1 0 401.551 4.376 20 5 HIBDRO C[NH+](C)CCOc1ccccc1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000477659197 892795014 /nfs/dbraw/zinc/79/50/14/892795014.db2.gz APCGWFOQKNXSMN-UHFFFAOYSA-N 1 0 419.481 4.378 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1)CC(F)(F)F ZINC000477759750 892850021 /nfs/dbraw/zinc/85/00/21/892850021.db2.gz NFGOIDJSLMLWMX-HNNXBMFYSA-N 1 0 403.445 4.088 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478053976 893204849 /nfs/dbraw/zinc/20/48/49/893204849.db2.gz NWNQVNOGZZVEFC-PKOBYXMFSA-N 1 0 416.566 4.207 20 5 HIBDRO Cc1c(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000478435252 893736406 /nfs/dbraw/zinc/73/64/06/893736406.db2.gz LZJXIAKHTGLGFW-UHFFFAOYSA-N 1 0 416.909 4.020 20 5 HIBDRO Cc1c(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)cccc1[N+](=O)[O-] ZINC000478504832 893817432 /nfs/dbraw/zinc/81/74/32/893817432.db2.gz JDSPAYUJYRDZTF-UHFFFAOYSA-N 1 0 418.335 4.420 20 5 HIBDRO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000478563251 893850619 /nfs/dbraw/zinc/85/06/19/893850619.db2.gz QNRSGNAJBQLEGB-IFMALSPDSA-N 1 0 421.541 4.386 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478626745 893883565 /nfs/dbraw/zinc/88/35/65/893883565.db2.gz YJDJFDYVZZTLHT-IBGZPJMESA-N 1 0 416.566 4.290 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478633516 893886886 /nfs/dbraw/zinc/88/68/86/893886886.db2.gz SNEXHGPCNYFTAI-QGZVFWFLSA-N 1 0 405.564 4.190 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000505152387 913846106 /nfs/dbraw/zinc/84/61/06/913846106.db2.gz XMDDFFMBVDMOHN-UHFFFAOYSA-N 1 0 424.339 4.130 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000479387941 894689915 /nfs/dbraw/zinc/68/99/15/894689915.db2.gz JGIQBOSCBNVSRT-UHFFFAOYSA-N 1 0 401.532 4.479 20 5 HIBDRO O=C1[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1c1ccccc1C(F)(F)F ZINC000479418664 894728363 /nfs/dbraw/zinc/72/83/63/894728363.db2.gz KHVCUGPLNAASND-YERXGYGTSA-N 1 0 405.376 4.022 20 5 HIBDRO C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479442755 894758693 /nfs/dbraw/zinc/75/86/93/894758693.db2.gz YFTDBNBGIAJOID-ROUUACIJSA-N 1 0 402.539 4.342 20 5 HIBDRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000479446442 894763544 /nfs/dbraw/zinc/76/35/44/894763544.db2.gz BKXDLKZYXKIMEM-UHFFFAOYSA-N 1 0 410.923 4.154 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cccc(OCC(F)(F)F)c2)n1 ZINC000479514069 894827578 /nfs/dbraw/zinc/82/75/78/894827578.db2.gz GLEZJKJFSCOHGB-IRXDYDNUSA-N 1 0 412.412 4.048 20 5 HIBDRO CCC(=O)c1ccc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000480019924 895369501 /nfs/dbraw/zinc/36/95/01/895369501.db2.gz RBAFIUCSHJXNRY-QGZVFWFLSA-N 1 0 411.502 4.499 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)c(F)c1 ZINC000480043284 895392459 /nfs/dbraw/zinc/39/24/59/895392459.db2.gz HTSPZCRGJKRDIU-UHFFFAOYSA-N 1 0 410.449 4.143 20 5 HIBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000480055192 895402442 /nfs/dbraw/zinc/40/24/42/895402442.db2.gz FGVRSMNDLIFJNX-WIYYLYMNSA-N 1 0 410.518 4.270 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000480604119 895969317 /nfs/dbraw/zinc/96/93/17/895969317.db2.gz FUNHFNYVXWUUAB-UHFFFAOYSA-N 1 0 405.539 4.132 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)C1CC1 ZINC000480891164 896248078 /nfs/dbraw/zinc/24/80/78/896248078.db2.gz UOJKKYGEOOGNIP-KRWDZBQOSA-N 1 0 415.291 4.116 20 5 HIBDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481209489 896562096 /nfs/dbraw/zinc/56/20/96/896562096.db2.gz ZBUJAXDWMKJBJY-WWMYMODYSA-N 1 0 421.501 4.206 20 5 HIBDRO CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481583828 896962921 /nfs/dbraw/zinc/96/29/21/896962921.db2.gz QXFVDYIBRHHRRG-OAQYLSRUSA-N 1 0 419.547 4.255 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000481965453 897354919 /nfs/dbraw/zinc/35/49/19/897354919.db2.gz HGQXLKGNOYHPPI-SFHVURJKSA-N 1 0 417.531 4.138 20 5 HIBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)C1 ZINC000505573787 914279988 /nfs/dbraw/zinc/27/99/88/914279988.db2.gz DSUNMYPQGQDJOV-JOCHJYFZSA-N 1 0 411.527 4.304 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000484950592 900318384 /nfs/dbraw/zinc/31/83/84/900318384.db2.gz XKNBGLQNCLKQOS-RTWAWAEBSA-N 1 0 407.514 4.114 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505841488 914493401 /nfs/dbraw/zinc/49/34/01/914493401.db2.gz WARJWKKSJOXOJV-OAHLLOKOSA-N 1 0 422.428 4.148 20 5 HIBDRO CCOc1cc(C[N@H+](C)C(C)C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000505848677 914496193 /nfs/dbraw/zinc/49/61/93/914496193.db2.gz XQHCBOYLMSJYCA-UHFFFAOYSA-N 1 0 416.474 4.279 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485861219 901103700 /nfs/dbraw/zinc/10/37/00/901103700.db2.gz GMIXFPOJTSPRBW-UHFFFAOYSA-N 1 0 417.412 4.051 20 5 HIBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000486060516 901255361 /nfs/dbraw/zinc/25/53/61/901255361.db2.gz HEZPYGPMIMLRNM-UHFFFAOYSA-N 1 0 403.429 4.430 20 5 HIBDRO CSc1cccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000486406374 901567540 /nfs/dbraw/zinc/56/75/40/901567540.db2.gz KFMMMTBXTQXALR-AEFFLSMTSA-N 1 0 413.543 4.442 20 5 HIBDRO CSc1cccc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000486422082 901580462 /nfs/dbraw/zinc/58/04/62/901580462.db2.gz YSFOPQLAMANBBG-UHFFFAOYSA-N 1 0 415.515 4.068 20 5 HIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486829868 901881692 /nfs/dbraw/zinc/88/16/92/901881692.db2.gz WTRTWQLJZGJKSC-WZONZLPQSA-N 1 0 420.469 4.077 20 5 HIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486835849 901886986 /nfs/dbraw/zinc/88/69/86/901886986.db2.gz VTYLNUMNAVOBNH-ZDPZECHZSA-N 1 0 405.458 4.155 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000486850148 901896834 /nfs/dbraw/zinc/89/68/34/901896834.db2.gz MMGWHIJUVQTSPR-AUSIDOKSSA-N 1 0 404.470 4.241 20 5 HIBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486888594 901934759 /nfs/dbraw/zinc/93/47/59/901934759.db2.gz SHCJUJPOKBXGDF-GDBMZVCRSA-N 1 0 402.882 4.280 20 5 HIBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000487007450 902011750 /nfs/dbraw/zinc/01/17/50/902011750.db2.gz BJQZTJFNLARSTH-KRWDZBQOSA-N 1 0 409.511 4.104 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000487852752 902406945 /nfs/dbraw/zinc/40/69/45/902406945.db2.gz BYEURXJUTQNXDX-SFHVURJKSA-N 1 0 404.536 4.274 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487935586 902465448 /nfs/dbraw/zinc/46/54/48/902465448.db2.gz NQJGMKFANJROFL-OPAMFIHVSA-N 1 0 418.453 4.238 20 5 HIBDRO CC1(C)CC[C@@H](C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 ZINC000488181776 902669963 /nfs/dbraw/zinc/66/99/63/902669963.db2.gz FWGRNHAGDYNYFZ-QFBILLFUSA-N 1 0 417.893 4.475 20 5 HIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000489027016 903130991 /nfs/dbraw/zinc/13/09/91/903130991.db2.gz KYIGCMWVPOKLHJ-QRWLVFNGSA-N 1 0 417.481 4.453 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000489549582 903458932 /nfs/dbraw/zinc/45/89/32/903458932.db2.gz NISZMIIRHXKOCV-UHFFFAOYSA-N 1 0 422.529 4.155 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489752085 903579485 /nfs/dbraw/zinc/57/94/85/903579485.db2.gz MYXNFKGOSBCZBJ-ROUUACIJSA-N 1 0 424.545 4.286 20 5 HIBDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490014873 903724388 /nfs/dbraw/zinc/72/43/88/903724388.db2.gz RFARZFZFUUPOGM-HUUCEWRRSA-N 1 0 401.429 4.087 20 5 HIBDRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013325 903724608 /nfs/dbraw/zinc/72/46/08/903724608.db2.gz LTKBDVDEQJISOQ-IRXDYDNUSA-N 1 0 418.563 4.336 20 5 HIBDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490164659 903805284 /nfs/dbraw/zinc/80/52/84/903805284.db2.gz NHRNPKSEIADWTP-NRFANRHFSA-N 1 0 421.501 4.439 20 5 HIBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000490372570 903964978 /nfs/dbraw/zinc/96/49/78/903964978.db2.gz VUNGMACKHRFJBZ-KRWDZBQOSA-N 1 0 413.543 4.454 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCn2cc(Br)cn2)c2ccccc2)c1 ZINC000490436965 904009650 /nfs/dbraw/zinc/00/96/50/904009650.db2.gz UCLJQJCDURQAAV-IBGZPJMESA-N 1 0 415.291 4.323 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797050 904243433 /nfs/dbraw/zinc/24/34/33/904243433.db2.gz NNFINDGSVWLDCN-WMZOPIPTSA-N 1 0 413.543 4.347 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000491052525 904396629 /nfs/dbraw/zinc/39/66/29/904396629.db2.gz RDFCTGJPTZZNNG-FQEVSTJZSA-N 1 0 409.530 4.243 20 5 HIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1[N+](=O)[O-] ZINC000506123901 914812620 /nfs/dbraw/zinc/81/26/20/914812620.db2.gz DIZLVPQKYWECBI-OAHLLOKOSA-N 1 0 419.407 4.344 20 5 HIBDRO Cn1nc(CCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1-c1ccc(F)cc1 ZINC000491167989 904465868 /nfs/dbraw/zinc/46/58/68/904465868.db2.gz OJTUVHDKGLNWFC-UHFFFAOYSA-N 1 0 400.429 4.338 20 5 HIBDRO CCCO[C@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491227741 904490005 /nfs/dbraw/zinc/49/00/05/904490005.db2.gz ICILZSQCXJBQHC-HNNXBMFYSA-N 1 0 402.438 4.028 20 5 HIBDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491227742 904490331 /nfs/dbraw/zinc/49/03/31/904490331.db2.gz ICILZSQCXJBQHC-OAHLLOKOSA-N 1 0 402.438 4.028 20 5 HIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)c2ccccc2)c1 ZINC000491309893 904528601 /nfs/dbraw/zinc/52/86/01/904528601.db2.gz ZPSKCJGTLSGLAF-JTHBVZDNSA-N 1 0 423.538 4.409 20 5 HIBDRO Cc1ccc([C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000491421914 904587702 /nfs/dbraw/zinc/58/77/02/904587702.db2.gz FUFUEBDVGWRFJS-VWNXMTODSA-N 1 0 421.497 4.249 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000491423157 904588585 /nfs/dbraw/zinc/58/85/85/904588585.db2.gz LEDMVNOFPWLZPE-WIYYLYMNSA-N 1 0 422.529 4.322 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960264 904968538 /nfs/dbraw/zinc/96/85/38/904968538.db2.gz LUYQVWKJJAEBDR-MOPGFXCFSA-N 1 0 410.518 4.270 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000493074851 905009492 /nfs/dbraw/zinc/00/94/92/905009492.db2.gz DYNGXAMPOALYAC-HNNXBMFYSA-N 1 0 420.460 4.016 20 5 HIBDRO C[C@]1(CO)CCC[C@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000493653166 905182900 /nfs/dbraw/zinc/18/29/00/905182900.db2.gz GSBZEAFIAPZGMX-SVFBPWRDSA-N 1 0 417.893 4.069 20 5 HIBDRO Cc1c(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cccc1[N+](=O)[O-] ZINC000493819294 905227403 /nfs/dbraw/zinc/22/74/03/905227403.db2.gz MNMQYIXJEMDNPQ-HNNXBMFYSA-N 1 0 419.407 4.344 20 5 HIBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000494274505 905597393 /nfs/dbraw/zinc/59/73/93/905597393.db2.gz QOUACRKODKEUAQ-UHFFFAOYSA-N 1 0 405.454 4.488 20 5 HIBDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000494375500 905672172 /nfs/dbraw/zinc/67/21/72/905672172.db2.gz QEDHAUXVJYJLDH-LZLYRXPVSA-N 1 0 406.490 4.145 20 5 HIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000512444510 921166548 /nfs/dbraw/zinc/16/65/48/921166548.db2.gz PQNQNVWBXFFBJG-KRWDZBQOSA-N 1 0 400.454 4.076 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494479367 905761135 /nfs/dbraw/zinc/76/11/35/905761135.db2.gz VNNLTWVTZBFSBL-XLIONFOSSA-N 1 0 421.856 4.144 20 5 HIBDRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531306 905815320 /nfs/dbraw/zinc/81/53/20/905815320.db2.gz ZKDKZZLXEDKPCB-IFXJQAMLSA-N 1 0 408.424 4.009 20 5 HIBDRO O=C(NCCCCC[NH+]1CCCCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495215952 906313689 /nfs/dbraw/zinc/31/36/89/906313689.db2.gz UQRSTUDLZVGROS-UHFFFAOYSA-N 1 0 416.444 4.069 20 5 HIBDRO C[C@@H]1C[C@@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@@H+]1Cc1ccccc1 ZINC000512551201 921231316 /nfs/dbraw/zinc/23/13/16/921231316.db2.gz RWCBPOMMJZWKAO-SJLPKXTDSA-N 1 0 406.486 4.107 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000495437777 906451783 /nfs/dbraw/zinc/45/17/83/906451783.db2.gz DASYHXMSCDHVMI-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000495864959 906566795 /nfs/dbraw/zinc/56/67/95/906566795.db2.gz WXNQOBQSVHWIKT-OAHLLOKOSA-N 1 0 414.531 4.057 20 5 HIBDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000497425678 906897345 /nfs/dbraw/zinc/89/73/45/906897345.db2.gz AWRWCXMQFBYTJM-UHFFFAOYSA-N 1 0 406.486 4.382 20 5 HIBDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000512679648 921285294 /nfs/dbraw/zinc/28/52/94/921285294.db2.gz YQQDWTVYSAVTDM-HNNXBMFYSA-N 1 0 401.438 4.004 20 5 HIBDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000512679649 921285532 /nfs/dbraw/zinc/28/55/32/921285532.db2.gz YQQDWTVYSAVTDM-OAHLLOKOSA-N 1 0 401.438 4.004 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000512758541 921302489 /nfs/dbraw/zinc/30/24/89/921302489.db2.gz HLAMZAOXQIELIZ-CYBMUJFWSA-N 1 0 422.407 4.166 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498463969 907929619 /nfs/dbraw/zinc/92/96/19/907929619.db2.gz KSQVBCHQAFOHHW-OAHLLOKOSA-N 1 0 402.520 4.103 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000498472560 907942194 /nfs/dbraw/zinc/94/21/94/907942194.db2.gz LCWRKPIWTNRSGS-DLBZAZTESA-N 1 0 422.957 4.087 20 5 HIBDRO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498689345 908116747 /nfs/dbraw/zinc/11/67/47/908116747.db2.gz LLYHSNBYKUXYHZ-WIYYLYMNSA-N 1 0 422.529 4.179 20 5 HIBDRO C[C@H]([NH2+]C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCC1)c1ccccc1 ZINC000499913081 909028850 /nfs/dbraw/zinc/02/88/50/909028850.db2.gz HXFRVDRCBAJGLV-INIZCTEOSA-N 1 0 406.486 4.470 20 5 HIBDRO COc1ccc(C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000513012756 921476386 /nfs/dbraw/zinc/47/63/86/921476386.db2.gz SQGXSDVQZGBUKE-IBGZPJMESA-N 1 0 410.392 4.114 20 5 HIBDRO CCOc1ccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000499970313 909413426 /nfs/dbraw/zinc/41/34/26/909413426.db2.gz FDULEDGWLCUWEP-QGZVFWFLSA-N 1 0 411.502 4.387 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000500369017 909818265 /nfs/dbraw/zinc/81/82/65/909818265.db2.gz XVBACHSREOIZGE-LLVKDONJSA-N 1 0 412.355 4.460 20 5 HIBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000500411206 909842648 /nfs/dbraw/zinc/84/26/48/909842648.db2.gz QWZUXSCUAAGHEY-LJQANCHMSA-N 1 0 424.545 4.035 20 5 HIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(I)c(Cl)c2)c1 ZINC000500448713 909865718 /nfs/dbraw/zinc/86/57/18/909865718.db2.gz RXEDFOKEKVISSU-UHFFFAOYSA-N 1 0 402.619 4.143 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000500458840 909870062 /nfs/dbraw/zinc/87/00/62/909870062.db2.gz CFSZZHKJCUINEQ-QZTJIDSGSA-N 1 0 422.428 4.432 20 5 HIBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513084131 921536296 /nfs/dbraw/zinc/53/62/96/921536296.db2.gz SQDUQXLUKMCRDA-VQIMIIECSA-N 1 0 405.882 4.291 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000500626640 909976639 /nfs/dbraw/zinc/97/66/39/909976639.db2.gz UBLJZEOVUAWCCP-CTNGQTDRSA-N 1 0 424.545 4.079 20 5 HIBDRO COCC1(C)CC[NH+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000500752573 910060812 /nfs/dbraw/zinc/06/08/12/910060812.db2.gz GAICOTKZRPBOLM-UHFFFAOYSA-N 1 0 414.502 4.431 20 5 HIBDRO Cn1cc(C[NH+]2CCC(N3CCc4ccccc43)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502355978 911339383 /nfs/dbraw/zinc/33/93/83/911339383.db2.gz SNRCMTFVPKUDSS-UHFFFAOYSA-N 1 0 417.513 4.022 20 5 HIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000502447897 911434745 /nfs/dbraw/zinc/43/47/45/911434745.db2.gz YRASZEBXZZUZLF-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513259580 921663940 /nfs/dbraw/zinc/66/39/40/921663940.db2.gz CNDCGQWECQAOOY-LJQANCHMSA-N 1 0 422.510 4.113 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000502509589 911514291 /nfs/dbraw/zinc/51/42/91/911514291.db2.gz VVNSJAZEYXBXEQ-AWEZNQCLSA-N 1 0 415.437 4.488 20 5 HIBDRO C[C@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCCOC1 ZINC000502620097 911646082 /nfs/dbraw/zinc/64/60/82/911646082.db2.gz GMBHCHBHHMJJOZ-DKICVRJWSA-N 1 0 417.893 4.333 20 5 HIBDRO O=C(c1cccc(F)c1)N1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506443190 915044751 /nfs/dbraw/zinc/04/47/51/915044751.db2.gz KGWMVWZRWFNYAY-UHFFFAOYSA-N 1 0 423.444 4.342 20 5 HIBDRO Cn1cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513406706 921774748 /nfs/dbraw/zinc/77/47/48/921774748.db2.gz WLQSPOBAKPXYAE-LJQANCHMSA-N 1 0 411.550 4.083 20 5 HIBDRO CN(c1ccccc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC[NH+](C)CC1 ZINC000507166141 915905760 /nfs/dbraw/zinc/90/57/60/915905760.db2.gz CYSBTDGSFMAPQM-UHFFFAOYSA-N 1 0 408.546 4.290 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000507250370 916011981 /nfs/dbraw/zinc/01/19/81/916011981.db2.gz DNHFFKXKTJIOQC-CQSZACIVSA-N 1 0 411.437 4.421 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000507305304 916068172 /nfs/dbraw/zinc/06/81/72/916068172.db2.gz UPVPZZXXPZJXJT-DNVCBOLYSA-N 1 0 403.548 4.186 20 5 HIBDRO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507462629 916231631 /nfs/dbraw/zinc/23/16/31/916231631.db2.gz FIVSGJNDEBXGOG-HUUCEWRRSA-N 1 0 403.504 4.011 20 5 HIBDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000507915459 916794556 /nfs/dbraw/zinc/79/45/56/916794556.db2.gz VFXYRIJGPFLTQC-MRXNPFEDSA-N 1 0 409.490 4.454 20 5 HIBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000507929235 916803591 /nfs/dbraw/zinc/80/35/91/916803591.db2.gz HMKTUJPIBVHRBV-KBPBESRZSA-N 1 0 405.882 4.433 20 5 HIBDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)nc1 ZINC000507983335 916828115 /nfs/dbraw/zinc/82/81/15/916828115.db2.gz BMOXTXVXFVJRIG-UHFFFAOYSA-N 1 0 420.469 4.409 20 5 HIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+](C)C ZINC000508858040 917611532 /nfs/dbraw/zinc/61/15/32/917611532.db2.gz XSPWTGMEWIGYRG-VGOFRKELSA-N 1 0 410.518 4.269 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000508898894 917654905 /nfs/dbraw/zinc/65/49/05/917654905.db2.gz SBCWOFCHDQXSEV-HTAPYJJXSA-N 1 0 410.518 4.269 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000509374442 918038853 /nfs/dbraw/zinc/03/88/53/918038853.db2.gz UVXSIIRYYXLFKQ-LJQANCHMSA-N 1 0 416.547 4.413 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000509375749 918040501 /nfs/dbraw/zinc/04/05/01/918040501.db2.gz YQMOQBWZTMZONJ-IBGZPJMESA-N 1 0 400.454 4.156 20 5 HIBDRO CCOc1ccc(C2=CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000509431285 918089265 /nfs/dbraw/zinc/08/92/65/918089265.db2.gz MVTUSMOZSLDRQZ-UHFFFAOYSA-N 1 0 409.486 4.420 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCCc3nn(C)cc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509950167 918545605 /nfs/dbraw/zinc/54/56/05/918545605.db2.gz YWYIMAHBNQKAIO-FQEVSTJZSA-N 1 0 422.485 4.083 20 5 HIBDRO Cc1ccc(C(=O)C2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000510175000 918727265 /nfs/dbraw/zinc/72/72/65/918727265.db2.gz HKILYKKQFIYZHT-UHFFFAOYSA-N 1 0 418.497 4.399 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510239405 918777245 /nfs/dbraw/zinc/77/72/45/918777245.db2.gz BOTIXIDBRLOGQB-AEFFLSMTSA-N 1 0 406.486 4.107 20 5 HIBDRO Cn1cc(C[NH+]2CCC(COc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510684859 919122801 /nfs/dbraw/zinc/12/28/01/919122801.db2.gz UAEGMPMKTPCAFX-UHFFFAOYSA-N 1 0 406.486 4.286 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000510895984 919393271 /nfs/dbraw/zinc/39/32/71/919393271.db2.gz SJCZGVBXVFMFHG-LJQANCHMSA-N 1 0 424.545 4.353 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510944919 919475950 /nfs/dbraw/zinc/47/59/50/919475950.db2.gz ATKBAIPLTLZOAD-GCJKJVERSA-N 1 0 424.545 4.202 20 5 HIBDRO CC(C)CN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000511050270 919641162 /nfs/dbraw/zinc/64/11/62/919641162.db2.gz WIWSOSQMHDSIHX-SFHVURJKSA-N 1 0 416.566 4.024 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000511099788 919703763 /nfs/dbraw/zinc/70/37/63/919703763.db2.gz SLPRABDAWPYACN-HNNXBMFYSA-N 1 0 422.576 4.217 20 5 HIBDRO C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511104030 919709910 /nfs/dbraw/zinc/70/99/10/919709910.db2.gz FEXQUZQRLNTMIG-HSZRJFAPSA-N 1 0 423.538 4.427 20 5 HIBDRO CC[N@@H+](Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)C[C@@H]1CCCO1 ZINC000511495156 920106557 /nfs/dbraw/zinc/10/65/57/920106557.db2.gz NAUNYUZFPIEFPA-FQEVSTJZSA-N 1 0 400.475 4.183 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511545324 920173161 /nfs/dbraw/zinc/17/31/61/920173161.db2.gz KXHKTDWCRRGNIC-LJQANCHMSA-N 1 0 423.391 4.481 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511739038 920409547 /nfs/dbraw/zinc/40/95/47/920409547.db2.gz BJTHVOSIDYEYCX-FCHUYYIVSA-N 1 0 415.493 4.301 20 5 HIBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000511772071 920460821 /nfs/dbraw/zinc/46/08/21/920460821.db2.gz SBYTZZCYQBELEB-OAQYLSRUSA-N 1 0 411.502 4.024 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000511784880 920477780 /nfs/dbraw/zinc/47/77/80/920477780.db2.gz MHVJYPWYQVHTRU-FQEVSTJZSA-N 1 0 413.543 4.104 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000512086554 920850461 /nfs/dbraw/zinc/85/04/61/920850461.db2.gz AKPRMOIACXLPGQ-MRXNPFEDSA-N 1 0 406.486 4.238 20 5 HIBDRO CN(c1ccccc1)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000512370090 921109697 /nfs/dbraw/zinc/10/96/97/921109697.db2.gz KSTOXQRMFJWECA-UHFFFAOYSA-N 1 0 405.502 4.096 20 5 HIBDRO O=C1CCCN1C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000513725636 922045323 /nfs/dbraw/zinc/04/53/23/922045323.db2.gz RKKXSHQKUMMOIE-UHFFFAOYSA-N 1 0 403.866 4.095 20 5 HIBDRO Cn1ccnc1[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000513762347 922081773 /nfs/dbraw/zinc/08/17/73/922081773.db2.gz QQIMNZSMBSVBHQ-NRFANRHFSA-N 1 0 411.550 4.196 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000513912955 922236130 /nfs/dbraw/zinc/23/61/30/922236130.db2.gz JYPIRUKTGDXQPA-OAQYLSRUSA-N 1 0 406.486 4.107 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)[NH+]2CCCCC2)cc1 ZINC000515113689 922926092 /nfs/dbraw/zinc/92/60/92/922926092.db2.gz VPRWWIIVBYMJNA-OAQYLSRUSA-N 1 0 412.490 4.261 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]([NH+]4CCCCC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000517393085 924152864 /nfs/dbraw/zinc/15/28/64/924152864.db2.gz HSBWEDLAIOEGMC-HXUWFJFHSA-N 1 0 408.502 4.220 20 5 HIBDRO CC[NH+](CC)C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000518275441 927132716 /nfs/dbraw/zinc/13/27/16/927132716.db2.gz FFEPHJFANLOXBN-ZDUSSCGKSA-N 1 0 410.312 4.437 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000518401999 927242337 /nfs/dbraw/zinc/24/23/37/927242337.db2.gz NBWQDPHTZKBWBO-SFHVURJKSA-N 1 0 410.518 4.011 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000518522762 927325254 /nfs/dbraw/zinc/32/52/54/927325254.db2.gz MHWSKQRXWLKVGV-LJQANCHMSA-N 1 0 420.897 4.461 20 5 HIBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000519777113 928072876 /nfs/dbraw/zinc/07/28/76/928072876.db2.gz RHRCRGLTWGAQII-ZDUSSCGKSA-N 1 0 401.429 4.244 20 5 HIBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C2CCCCC2)cc1 ZINC000519803564 928083056 /nfs/dbraw/zinc/08/30/56/928083056.db2.gz SGIBIXFFSJFUOB-FGZHOGPDSA-N 1 0 400.523 4.187 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c2cccs2)CC1 ZINC000519843324 928090838 /nfs/dbraw/zinc/09/08/38/928090838.db2.gz QEDFEHXVINVAHL-GOSISDBHSA-N 1 0 423.485 4.066 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000520439328 928565352 /nfs/dbraw/zinc/56/53/52/928565352.db2.gz KCUMKOFNUORTSY-QFIPXVFZSA-N 1 0 407.518 4.049 20 5 HIBDRO Cc1sc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000520917046 928873696 /nfs/dbraw/zinc/87/36/96/928873696.db2.gz KATFHZCASAEVIL-UHFFFAOYSA-N 1 0 416.503 4.032 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC[N@@H+]4CCCC[C@H]34)o2)c(Br)c1 ZINC000520949716 928885450 /nfs/dbraw/zinc/88/54/50/928885450.db2.gz NIEDXKVNRWPGMS-ZWKOTPCHSA-N 1 0 420.307 4.334 20 5 HIBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000520959388 928889921 /nfs/dbraw/zinc/88/99/21/928889921.db2.gz GEXUHDGJGGMAOA-UHFFFAOYSA-N 1 0 405.882 4.435 20 5 HIBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000521377771 929195785 /nfs/dbraw/zinc/19/57/85/929195785.db2.gz RIVJUUNOJOYGPQ-QFIPXVFZSA-N 1 0 408.502 4.334 20 5 HIBDRO Cc1cccc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000521887195 929535338 /nfs/dbraw/zinc/53/53/38/929535338.db2.gz HMIVZNIWYPKKJW-UHFFFAOYSA-N 1 0 409.530 4.368 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000522002140 929616409 /nfs/dbraw/zinc/61/64/09/929616409.db2.gz UQRWDYYOAVOTEU-OAHLLOKOSA-N 1 0 419.909 4.172 20 5 HIBDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000524771264 929825280 /nfs/dbraw/zinc/82/52/80/929825280.db2.gz MUDSRBRGXHUZJQ-ZDUSSCGKSA-N 1 0 408.296 4.049 20 5 HIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000524892773 929875817 /nfs/dbraw/zinc/87/58/17/929875817.db2.gz MQYAEHCNPGRRFD-UXHICEINSA-N 1 0 404.507 4.411 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000525248025 930104234 /nfs/dbraw/zinc/10/42/34/930104234.db2.gz XMVNBYIHVLIZIF-ACJLOTCBSA-N 1 0 405.401 4.042 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000525555008 930323067 /nfs/dbraw/zinc/32/30/67/930323067.db2.gz ZXLARKHYQSMNCV-QMTMVMCOSA-N 1 0 419.572 4.336 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000527037398 930573917 /nfs/dbraw/zinc/57/39/17/930573917.db2.gz NBPGKICTIYIHSQ-UHFFFAOYSA-N 1 0 420.334 4.155 20 5 HIBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000527078418 930580916 /nfs/dbraw/zinc/58/09/16/930580916.db2.gz PZHUYDZRYXGKBX-HZPDHXFCSA-N 1 0 407.392 4.478 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000527289447 930627920 /nfs/dbraw/zinc/62/79/20/930627920.db2.gz YYMFMKVDDGIXFG-VBKZILBWSA-N 1 0 403.429 4.023 20 5 HIBDRO CN(C)[C@@]1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCSC1 ZINC000530883293 930848506 /nfs/dbraw/zinc/84/85/06/930848506.db2.gz IFJUBQYRNGIYHP-HXUWFJFHSA-N 1 0 405.495 4.053 20 5 HIBDRO COc1cc(C[NH2+][C@H](CO)c2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531094579 930918103 /nfs/dbraw/zinc/91/81/03/930918103.db2.gz YQVHEGPWAGCFJA-JOCHJYFZSA-N 1 0 422.481 4.314 20 5 HIBDRO Cc1cc(N2CCC([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)nc(C)n1 ZINC000531164342 930949682 /nfs/dbraw/zinc/94/96/82/930949682.db2.gz QUXZKTGANCMEJY-UHFFFAOYSA-N 1 0 423.542 4.489 20 5 HIBDRO COc1cc(C[NH2+]CC2CCC(OC)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000531176315 930953520 /nfs/dbraw/zinc/95/35/20/930953520.db2.gz GYRPSPBNPKHPAF-UHFFFAOYSA-N 1 0 414.502 4.477 20 5 HIBDRO COc1cc(C[NH2+]C2(CCO)CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531191333 930959869 /nfs/dbraw/zinc/95/98/69/930959869.db2.gz ANPYURMEZPBYSU-UHFFFAOYSA-N 1 0 414.502 4.357 20 5 HIBDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204530 930965014 /nfs/dbraw/zinc/96/50/14/930965014.db2.gz GYZZZCDUNCYIJT-ZIAGYGMSSA-N 1 0 419.503 4.128 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccncc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531389978 931040531 /nfs/dbraw/zinc/04/05/31/931040531.db2.gz FEFCQEOSGOAWOZ-KRWDZBQOSA-N 1 0 407.470 4.298 20 5 HIBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)C1 ZINC000531610145 931124641 /nfs/dbraw/zinc/12/46/41/931124641.db2.gz KJVRRVJYSFGLKA-LJQANCHMSA-N 1 0 411.502 4.395 20 5 HIBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])ccc21 ZINC000531802571 931204826 /nfs/dbraw/zinc/20/48/26/931204826.db2.gz LHNQCAFZCFTROT-UHFFFAOYSA-N 1 0 410.474 4.152 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531864601 931227746 /nfs/dbraw/zinc/22/77/46/931227746.db2.gz OXXCQJSAWCXKFT-HBMCJLEFSA-N 1 0 412.486 4.230 20 5 HIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c2c(c1)COCO2 ZINC000532275694 931380442 /nfs/dbraw/zinc/38/04/42/931380442.db2.gz MWWBUKJPHSISIN-AWEZNQCLSA-N 1 0 415.515 4.176 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000532486660 931457303 /nfs/dbraw/zinc/45/73/03/931457303.db2.gz JIZBRZGNAWIMHV-HSZRJFAPSA-N 1 0 424.545 4.247 20 5 HIBDRO CC(C)c1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1[N+](=O)[O-] ZINC000532729573 931614619 /nfs/dbraw/zinc/61/46/19/931614619.db2.gz GRFODKTVFNYGGG-UHFFFAOYSA-N 1 0 424.545 4.070 20 5 HIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c2c(c1)COCO2 ZINC000532780110 931629423 /nfs/dbraw/zinc/62/94/23/931629423.db2.gz WMUMHTNKPLVLIA-ZDUSSCGKSA-N 1 0 413.405 4.121 20 5 HIBDRO COc1cc(CNc2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000532890000 931681233 /nfs/dbraw/zinc/68/12/33/931681233.db2.gz NLCKCGIXKBVGDU-UHFFFAOYSA-N 1 0 413.396 4.218 20 5 HIBDRO CN(C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000533147243 931785669 /nfs/dbraw/zinc/78/56/69/931785669.db2.gz FWIPZHSPELAIRP-LJQANCHMSA-N 1 0 407.392 4.012 20 5 HIBDRO O=C(c1ccccc1)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000533215545 931811975 /nfs/dbraw/zinc/81/19/75/931811975.db2.gz YOLMJNHEAHYSMY-UHFFFAOYSA-N 1 0 405.454 4.387 20 5 HIBDRO O=C1[C@@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533221512 931813634 /nfs/dbraw/zinc/81/36/34/931813634.db2.gz OTEWZEVILNUDBJ-QFIPXVFZSA-N 1 0 404.470 4.061 20 5 HIBDRO O=C1[C@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533221511 931813738 /nfs/dbraw/zinc/81/37/38/931813738.db2.gz OTEWZEVILNUDBJ-JOCHJYFZSA-N 1 0 404.470 4.061 20 5 HIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000533407926 931860262 /nfs/dbraw/zinc/86/02/62/931860262.db2.gz JYPOEBZFNXFALD-IRXDYDNUSA-N 1 0 422.957 4.163 20 5 HIBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000533407163 931860304 /nfs/dbraw/zinc/86/03/04/931860304.db2.gz MNVVJZITEABFPZ-LAUBAEHRSA-N 1 0 421.501 4.302 20 5 HIBDRO Cc1c(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000533508425 931888740 /nfs/dbraw/zinc/88/87/40/931888740.db2.gz PXIVNFWNUHBFCZ-INIZCTEOSA-N 1 0 400.454 4.076 20 5 HIBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000533922788 932101012 /nfs/dbraw/zinc/10/10/12/932101012.db2.gz STNVGPLMWVMPAO-SFHVURJKSA-N 1 0 421.522 4.462 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534225228 932344623 /nfs/dbraw/zinc/34/46/23/932344623.db2.gz BTJHYWZHONOXDV-UHFFFAOYSA-N 1 0 410.499 4.186 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534227479 932346845 /nfs/dbraw/zinc/34/68/45/932346845.db2.gz XRESXTGYCRBASJ-HRAATJIYSA-N 1 0 419.884 4.129 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534240213 932358712 /nfs/dbraw/zinc/35/87/12/932358712.db2.gz QZVGZTMAOJNAEN-MGPUTAFESA-N 1 0 407.873 4.179 20 5 HIBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000534959414 932859962 /nfs/dbraw/zinc/85/99/62/932859962.db2.gz GZXBLSPGCLDZNT-RXVVDRJESA-N 1 0 418.497 4.203 20 5 HIBDRO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000535367929 933096231 /nfs/dbraw/zinc/09/62/31/933096231.db2.gz GEFXRQPUGMQNHB-DYESRHJHSA-N 1 0 420.513 4.303 20 5 HIBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000535669877 933315401 /nfs/dbraw/zinc/31/54/01/933315401.db2.gz DIAPGXWHHQUXEI-DNVCBOLYSA-N 1 0 405.857 4.119 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799060 933395993 /nfs/dbraw/zinc/39/59/93/933395993.db2.gz AKTCJCPOCCBKPP-ICSRJNTNSA-N 1 0 412.486 4.183 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C4CC[NH+](C)CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000535916556 933490110 /nfs/dbraw/zinc/49/01/10/933490110.db2.gz ZKLJCHITCYPHFQ-HXUWFJFHSA-N 1 0 422.529 4.324 20 5 HIBDRO COc1ccc(OC)c(CCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000536093668 933642292 /nfs/dbraw/zinc/64/22/92/933642292.db2.gz AKOGEKPXTAJJPO-UHFFFAOYSA-N 1 0 413.499 4.458 20 5 HIBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537375465 933743749 /nfs/dbraw/zinc/74/37/49/933743749.db2.gz SKYQHBUPEMJGMK-QZTJIDSGSA-N 1 0 421.419 4.481 20 5 HIBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537620720 938336010 /nfs/dbraw/zinc/33/60/10/938336010.db2.gz WTSSMAFRZJUNSS-DLBZAZTESA-N 1 0 416.522 4.198 20 5 HIBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000537626856 938338438 /nfs/dbraw/zinc/33/84/38/938338438.db2.gz GQZZSCWFCGVRNK-INIZCTEOSA-N 1 0 404.850 4.283 20 5 HIBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)cn1 ZINC000537626240 938338563 /nfs/dbraw/zinc/33/85/63/938338563.db2.gz KVNAOONJXQRMKS-CQSZACIVSA-N 1 0 400.866 4.306 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1)CC(C)C ZINC000538035976 938476109 /nfs/dbraw/zinc/47/61/09/938476109.db2.gz UKGWVSUBICKADF-UHFFFAOYSA-N 1 0 412.534 4.363 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000538096874 938501268 /nfs/dbraw/zinc/50/12/68/938501268.db2.gz YEYQNBRMMHLYBX-YLJYHZDGSA-N 1 0 408.502 4.078 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC(F)F ZINC000538151119 938522814 /nfs/dbraw/zinc/52/28/14/938522814.db2.gz JNQMHJWMWKTGKQ-WFASDCNBSA-N 1 0 423.416 4.273 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538176681 938538443 /nfs/dbraw/zinc/53/84/43/938538443.db2.gz LWVRTLYLLOYPDX-AWEZNQCLSA-N 1 0 424.482 4.198 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc3sc4c(c3c(N)n2)CCCC4)cc1[N+](=O)[O-] ZINC000538278068 938582171 /nfs/dbraw/zinc/58/21/71/938582171.db2.gz JTQWCYUVYKPAGL-CYBMUJFWSA-N 1 0 411.531 4.262 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000538279900 938582326 /nfs/dbraw/zinc/58/23/26/938582326.db2.gz MXANDISACCHFAR-CYBMUJFWSA-N 1 0 406.280 4.263 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] ZINC000538280407 938582404 /nfs/dbraw/zinc/58/24/04/938582404.db2.gz SDYLMTVLLNTDFK-QGZVFWFLSA-N 1 0 411.502 4.192 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000538688761 938684355 /nfs/dbraw/zinc/68/43/55/938684355.db2.gz LCJUZKPGRVUIDD-UHFFFAOYSA-N 1 0 413.543 4.443 20 5 HIBDRO CCC1(CO)CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538718426 938689653 /nfs/dbraw/zinc/68/96/53/938689653.db2.gz QWQRNYABQOHSTB-UHFFFAOYSA-N 1 0 420.513 4.432 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000538749863 938700623 /nfs/dbraw/zinc/70/06/23/938700623.db2.gz KNMONQLRTMEKLZ-PMACEKPBSA-N 1 0 418.497 4.306 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000538752847 938702631 /nfs/dbraw/zinc/70/26/31/938702631.db2.gz QMBGFDJDUSINGJ-IBGZPJMESA-N 1 0 411.502 4.096 20 5 HIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@@H]1CCC[C@@H]1O ZINC000538811692 938719064 /nfs/dbraw/zinc/71/90/64/938719064.db2.gz BNMLMBHFUXYJOL-SJCJKPOMSA-N 1 0 409.280 4.210 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000539225297 938821474 /nfs/dbraw/zinc/82/14/74/938821474.db2.gz CJODCPPJBAFDTM-DLBZAZTESA-N 1 0 420.469 4.247 20 5 HIBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccncc1 ZINC000539254121 938827206 /nfs/dbraw/zinc/82/72/06/938827206.db2.gz MGEGRTHEWCXRAW-QGZVFWFLSA-N 1 0 407.470 4.471 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000539264443 938829809 /nfs/dbraw/zinc/82/98/09/938829809.db2.gz DXPMUZPQROYMCP-HNNXBMFYSA-N 1 0 401.463 4.070 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000539268645 938830462 /nfs/dbraw/zinc/83/04/62/938830462.db2.gz SPNVNAOTSJBKHV-NRFANRHFSA-N 1 0 423.444 4.391 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539277926 938832141 /nfs/dbraw/zinc/83/21/41/938832141.db2.gz XAMMZMSATURFJZ-BLLLJJGKSA-N 1 0 419.865 4.087 20 5 HIBDRO CC(C)([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(F)c1 ZINC000539312284 938839262 /nfs/dbraw/zinc/83/92/62/938839262.db2.gz NPMOYYKJTOPFGA-UHFFFAOYSA-N 1 0 414.462 4.321 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000539317157 938840019 /nfs/dbraw/zinc/84/00/19/938840019.db2.gz PTKANDAQJZOGDO-FQEVSTJZSA-N 1 0 405.454 4.252 20 5 HIBDRO C[N@H+](CCc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000539332155 938843314 /nfs/dbraw/zinc/84/33/14/938843314.db2.gz NFCNIBDLYODXLR-UHFFFAOYSA-N 1 0 408.502 4.084 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000539356907 938847558 /nfs/dbraw/zinc/84/75/58/938847558.db2.gz QLAJZAZZZJYDDD-UHFFFAOYSA-N 1 0 405.495 4.226 20 5 HIBDRO COc1cc(C[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539821868 938944946 /nfs/dbraw/zinc/94/49/46/938944946.db2.gz DNGHKXZDZCVZJL-UHFFFAOYSA-N 1 0 414.502 4.431 20 5 HIBDRO CNC(=O)CC1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000539822597 938945064 /nfs/dbraw/zinc/94/50/64/938945064.db2.gz PASGQPVFISAEOR-UHFFFAOYSA-N 1 0 417.893 4.389 20 5 HIBDRO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540150725 939093003 /nfs/dbraw/zinc/09/30/03/939093003.db2.gz LCKSMFMLBYMOFV-AWEZNQCLSA-N 1 0 408.545 4.189 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000540191682 939116773 /nfs/dbraw/zinc/11/67/73/939116773.db2.gz QBYKFKGSAZPKGS-SOLBZPMBSA-N 1 0 411.502 4.003 20 5 HIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000540350790 939202456 /nfs/dbraw/zinc/20/24/56/939202456.db2.gz DAPKXOSUTXUPPP-YOEHRIQHSA-N 1 0 401.463 4.070 20 5 HIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000540352513 939204340 /nfs/dbraw/zinc/20/43/40/939204340.db2.gz OMSSAIUYIIETFA-WMLDXEAASA-N 1 0 401.463 4.070 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000540354142 939205000 /nfs/dbraw/zinc/20/50/00/939205000.db2.gz IBMFQECMNFLVLX-KRWDZBQOSA-N 1 0 420.469 4.167 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540363130 939211160 /nfs/dbraw/zinc/21/11/60/939211160.db2.gz IRQBGPUAKRHSRU-LSDHHAIUSA-N 1 0 401.463 4.068 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCC ZINC000540367127 939212187 /nfs/dbraw/zinc/21/21/87/939212187.db2.gz BJQFZSWWMLCHBK-CYBMUJFWSA-N 1 0 421.881 4.335 20 5 HIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(-n2cccn2)c1 ZINC000540386790 939223697 /nfs/dbraw/zinc/22/36/97/939223697.db2.gz ZMWMHPDGUSLPKG-INIZCTEOSA-N 1 0 403.442 4.329 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000540405070 939236688 /nfs/dbraw/zinc/23/66/88/939236688.db2.gz WKPDNXWBRSTIIZ-FQEVSTJZSA-N 1 0 403.866 4.326 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408015 939237375 /nfs/dbraw/zinc/23/73/75/939237375.db2.gz OCIPDGLNCBVBNA-SJORKVTESA-N 1 0 400.498 4.288 20 5 HIBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)C[C@@H]1CCCCO1 ZINC000540421496 939242548 /nfs/dbraw/zinc/24/25/48/939242548.db2.gz MCLUNLROYKHDNN-SFHVURJKSA-N 1 0 401.463 4.220 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000540423774 939243359 /nfs/dbraw/zinc/24/33/59/939243359.db2.gz GEKODAHDDNHHFN-UONOGXRCSA-N 1 0 401.438 4.201 20 5 HIBDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000540459587 939260379 /nfs/dbraw/zinc/26/03/79/939260379.db2.gz NPNCQXAZKKIBIT-UTKZUKDTSA-N 1 0 422.481 4.361 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000540478442 939268789 /nfs/dbraw/zinc/26/87/89/939268789.db2.gz GRSPZTAKOQTUHN-NEPJUHHUSA-N 1 0 402.451 4.330 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522138 939286613 /nfs/dbraw/zinc/28/66/13/939286613.db2.gz XCVOLCVDMGMMDI-XCLFUZPHSA-N 1 0 401.438 4.119 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522139 939286817 /nfs/dbraw/zinc/28/68/17/939286817.db2.gz XCVOLCVDMGMMDI-ZUOKHONESA-N 1 0 401.438 4.119 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000540651362 939331305 /nfs/dbraw/zinc/33/13/05/939331305.db2.gz YIYIKZCRZSCMAQ-PXNSSMCTSA-N 1 0 400.475 4.087 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1OC ZINC000541058307 939445216 /nfs/dbraw/zinc/44/52/16/939445216.db2.gz GNSUFWHQKBWLAH-HNNXBMFYSA-N 1 0 402.495 4.131 20 5 HIBDRO CCc1ccc([C@@H](NCC(C)(C)[NH+]2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545561 939550328 /nfs/dbraw/zinc/55/03/28/939550328.db2.gz JSHOHVHWAVOKOU-QFIPXVFZSA-N 1 0 415.534 4.319 20 5 HIBDRO CC(C)([C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000541552362 939553027 /nfs/dbraw/zinc/55/30/27/939553027.db2.gz HFFVCPYWEQYAME-IBGZPJMESA-N 1 0 421.419 4.358 20 5 HIBDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000541634150 939577806 /nfs/dbraw/zinc/57/78/06/939577806.db2.gz OCNTVOKUPFCWQL-KBPBESRZSA-N 1 0 421.419 4.285 20 5 HIBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542312491 939796572 /nfs/dbraw/zinc/79/65/72/939796572.db2.gz ZAKMGCDYYHENSA-GOTSBHOMSA-N 1 0 412.486 4.230 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)c(Cl)c1 ZINC000542471758 939828732 /nfs/dbraw/zinc/82/87/32/939828732.db2.gz NARNBDLDGVPGFY-LJQANCHMSA-N 1 0 410.301 4.065 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)s1 ZINC000542485460 939831667 /nfs/dbraw/zinc/83/16/67/939831667.db2.gz BZHZVXLQXGCRAG-MRXNPFEDSA-N 1 0 402.516 4.341 20 5 HIBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000542639944 939851071 /nfs/dbraw/zinc/85/10/71/939851071.db2.gz MISMRFPHUNINRA-MRXNPFEDSA-N 1 0 414.481 4.007 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000542892025 939865781 /nfs/dbraw/zinc/86/57/81/939865781.db2.gz DAQWWZLWLLNKKX-ZDUSSCGKSA-N 1 0 407.417 4.055 20 5 HIBDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000543185461 939989403 /nfs/dbraw/zinc/98/94/03/939989403.db2.gz NKYOENJBGIFBBS-XLIONFOSSA-N 1 0 422.481 4.361 20 5 HIBDRO CCc1ccc([C@H](NC2CC[NH+](Cc3ccncc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543411698 940057561 /nfs/dbraw/zinc/05/75/61/940057561.db2.gz ZZRZMPIIKKGKCQ-XMMPIXPASA-N 1 0 420.513 4.489 20 5 HIBDRO C[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543522322 940095487 /nfs/dbraw/zinc/09/54/87/940095487.db2.gz GLPMMYIRGXPTHV-SFHVURJKSA-N 1 0 413.493 4.005 20 5 HIBDRO C[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543524505 940095837 /nfs/dbraw/zinc/09/58/37/940095837.db2.gz VBEBSLROUMJEDE-KRWDZBQOSA-N 1 0 413.493 4.208 20 5 HIBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543558715 940108310 /nfs/dbraw/zinc/10/83/10/940108310.db2.gz HWZFCOLGJFNNAD-RTBURBONSA-N 1 0 412.421 4.136 20 5 HIBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCSC1 ZINC000543587424 940121129 /nfs/dbraw/zinc/12/11/29/940121129.db2.gz GPPQESGKZKHNBS-HXUWFJFHSA-N 1 0 423.604 4.044 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)cc1 ZINC000543596319 940124686 /nfs/dbraw/zinc/12/46/86/940124686.db2.gz CNQUFYYLJBZADT-RTBURBONSA-N 1 0 402.516 4.075 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000543641588 940146236 /nfs/dbraw/zinc/14/62/36/940146236.db2.gz JLKYZHRMUQLSAL-CQSZACIVSA-N 1 0 402.426 4.099 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543642626 940146829 /nfs/dbraw/zinc/14/68/29/940146829.db2.gz XHMXQMVMKMGLPB-QGZVFWFLSA-N 1 0 400.454 4.110 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccccc1Br ZINC000543778083 940184526 /nfs/dbraw/zinc/18/45/26/940184526.db2.gz TWLBLPVLWDAUOK-RDTXWAMCSA-N 1 0 407.308 4.392 20 5 HIBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1F ZINC000543847273 940207254 /nfs/dbraw/zinc/20/72/54/940207254.db2.gz ZAHWZQJNVZPQQO-IBGZPJMESA-N 1 0 423.828 4.041 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543904323 940234938 /nfs/dbraw/zinc/23/49/38/940234938.db2.gz MKBSUFKOSNWABR-OAHLLOKOSA-N 1 0 420.916 4.380 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCOCC3(CC3)C2)cc1 ZINC000544030595 940304964 /nfs/dbraw/zinc/30/49/64/940304964.db2.gz JRZSFDUBYDWUNT-UHFFFAOYSA-N 1 0 404.470 4.060 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c([N+](=O)[O-])c1 ZINC000544411496 940416248 /nfs/dbraw/zinc/41/62/48/940416248.db2.gz IKAKNTYQJZTPEY-SFHVURJKSA-N 1 0 411.483 4.177 20 5 HIBDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000544453769 940437786 /nfs/dbraw/zinc/43/77/86/940437786.db2.gz QKSQLKZSVOHACU-KBPBESRZSA-N 1 0 421.419 4.285 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000544515650 940467614 /nfs/dbraw/zinc/46/76/14/940467614.db2.gz MQPPHOHXUMIXOA-AVCJSFLBSA-N 1 0 408.401 4.248 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000544564445 940480528 /nfs/dbraw/zinc/48/05/28/940480528.db2.gz GIXFKHLHPTWNET-IAGOWNOFSA-N 1 0 406.523 4.419 20 5 HIBDRO COc1cc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626250 940493642 /nfs/dbraw/zinc/49/36/42/940493642.db2.gz OEWGPVLEWLFTKT-IEBWSBKVSA-N 1 0 404.438 4.103 20 5 HIBDRO CC[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000544760543 940511449 /nfs/dbraw/zinc/51/14/49/940511449.db2.gz AHGXZAVHFDYQHC-FXAWDEMLSA-N 1 0 421.501 4.302 20 5 HIBDRO Cc1cc(Br)cn2c(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cnc12 ZINC000545167781 940553405 /nfs/dbraw/zinc/55/34/05/940553405.db2.gz NRMRVYURQAFHDS-UHFFFAOYSA-N 1 0 403.280 4.338 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000545875976 940648209 /nfs/dbraw/zinc/64/82/09/940648209.db2.gz YGBVTBAYQTZGCL-UHFFFAOYSA-N 1 0 401.482 4.170 20 5 HIBDRO O=c1cc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000546246409 940745961 /nfs/dbraw/zinc/74/59/61/940745961.db2.gz CHFYOOWPBFGUQI-UHFFFAOYSA-N 1 0 417.425 4.161 20 5 HIBDRO C[C@H](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@H+](C)Cc1ccccc1 ZINC000546535501 940846400 /nfs/dbraw/zinc/84/64/00/940846400.db2.gz HMGVLWHBTUDLON-MRXNPFEDSA-N 1 0 401.482 4.038 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000546534542 940846492 /nfs/dbraw/zinc/84/64/92/940846492.db2.gz VTBCNTYQUFLBLU-AEFFLSMTSA-N 1 0 413.493 4.181 20 5 HIBDRO O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1 ZINC000546956374 940926782 /nfs/dbraw/zinc/92/67/82/940926782.db2.gz LZUFYJHNKCGNQV-UHFFFAOYSA-N 1 0 403.442 4.244 20 5 HIBDRO Cc1nc(CN2CCC(c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)CC2)cs1 ZINC000547190382 941025837 /nfs/dbraw/zinc/02/58/37/941025837.db2.gz HRNYMGDXJSTDGZ-UHFFFAOYSA-N 1 0 413.503 4.022 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000549161331 941167286 /nfs/dbraw/zinc/16/72/86/941167286.db2.gz BVIDWPDKIXHCFK-HXUWFJFHSA-N 1 0 421.501 4.035 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550906930 941380951 /nfs/dbraw/zinc/38/09/51/941380951.db2.gz CEHQJRVJOCOFFO-IAGOWNOFSA-N 1 0 420.469 4.247 20 5 HIBDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000551271248 941440959 /nfs/dbraw/zinc/44/09/59/941440959.db2.gz MSWAMLIMMKUYPB-UZLBHIALSA-N 1 0 422.909 4.288 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000551274635 941441485 /nfs/dbraw/zinc/44/14/85/941441485.db2.gz SWTSQRDDODPOSN-LZJOCLMNSA-N 1 0 413.493 4.397 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000551652918 941519443 /nfs/dbraw/zinc/51/94/43/941519443.db2.gz ZXXDGJAIBXQKTC-UHFFFAOYSA-N 1 0 406.280 4.022 20 5 HIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000552057626 941575473 /nfs/dbraw/zinc/57/54/73/941575473.db2.gz ALNQKGCWZGLPBT-VLCRHTCISA-N 1 0 411.502 4.173 20 5 HIBDRO Cn1ccnc1[C@H](NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552063607 941577185 /nfs/dbraw/zinc/57/71/85/941577185.db2.gz FFLXCYMZNWQOHO-OAQYLSRUSA-N 1 0 411.550 4.054 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000552080663 941581104 /nfs/dbraw/zinc/58/11/04/941581104.db2.gz LVCYFOCRWDRESG-NRFANRHFSA-N 1 0 411.502 4.133 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](C3CC3)C3(CO)CCOCC3)o2)c(Cl)c1 ZINC000552129796 941590050 /nfs/dbraw/zinc/59/00/50/941590050.db2.gz KONGKRMEESBQPP-FQEVSTJZSA-N 1 0 420.893 4.166 20 5 HIBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000553528009 941903234 /nfs/dbraw/zinc/90/32/34/941903234.db2.gz HTMODPZRIKQOBO-GOSISDBHSA-N 1 0 422.529 4.153 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000553585753 941914823 /nfs/dbraw/zinc/91/48/23/941914823.db2.gz MLCQBRDXSIUREA-GOSISDBHSA-N 1 0 410.518 4.004 20 5 HIBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000553738601 941956255 /nfs/dbraw/zinc/95/62/55/941956255.db2.gz BRRXZFXYVKYPFK-UHFFFAOYSA-N 1 0 412.490 4.251 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553807367 941973887 /nfs/dbraw/zinc/97/38/87/941973887.db2.gz LJWNDUPBVOAQIX-LJQANCHMSA-N 1 0 424.545 4.211 20 5 HIBDRO CC(C)C(=O)N1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000556215397 942819443 /nfs/dbraw/zinc/81/94/43/942819443.db2.gz QEAROGRVQKAXDH-UHFFFAOYSA-N 1 0 410.518 4.099 20 5 HIBDRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556221613 942820772 /nfs/dbraw/zinc/82/07/72/942820772.db2.gz DUIDOSNQIGOWCU-UJUVCNOISA-N 1 0 411.477 4.453 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000556615398 942917171 /nfs/dbraw/zinc/91/71/71/942917171.db2.gz WOTMBYNSFSUPKW-UKRRQHHQSA-N 1 0 407.392 4.006 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(-c3nc(CC)no3)cc2)cc1[N+](=O)[O-] ZINC000557263702 943063388 /nfs/dbraw/zinc/06/33/88/943063388.db2.gz AGSLIKAENZJWEG-HNNXBMFYSA-N 1 0 410.474 4.499 20 5 HIBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000557631423 943240605 /nfs/dbraw/zinc/24/06/05/943240605.db2.gz YTKHZDUFKZZJSX-UHFFFAOYSA-N 1 0 402.520 4.056 20 5 HIBDRO COC1(C[NH2+]Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCOCC1 ZINC000557845273 943311241 /nfs/dbraw/zinc/31/12/41/943311241.db2.gz XMRJCTGSSYDPPM-UHFFFAOYSA-N 1 0 424.856 4.465 20 5 HIBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000558412340 943552742 /nfs/dbraw/zinc/55/27/42/943552742.db2.gz XERMMWFKYQDZPK-UHFFFAOYSA-N 1 0 421.419 4.051 20 5 HIBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cc21 ZINC000558418229 943554677 /nfs/dbraw/zinc/55/46/77/943554677.db2.gz BFOCLXIUMUTNMD-UHFFFAOYSA-N 1 0 420.391 4.382 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558736215 943634995 /nfs/dbraw/zinc/63/49/95/943634995.db2.gz OQIUZLQXWXHJID-KANFNMMFSA-N 1 0 409.486 4.341 20 5 HIBDRO CC[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000560270042 944214173 /nfs/dbraw/zinc/21/41/73/944214173.db2.gz ZCDMVIPKVORBLA-OFNKIYASSA-N 1 0 422.485 4.061 20 5 HIBDRO CC[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000560270039 944214371 /nfs/dbraw/zinc/21/43/71/944214371.db2.gz ZCDMVIPKVORBLA-NZQKXSOJSA-N 1 0 422.485 4.061 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000560541484 944247735 /nfs/dbraw/zinc/24/77/35/944247735.db2.gz OIMZZIJKKFCMRG-HKBKIPCKSA-N 1 0 411.502 4.171 20 5 HIBDRO Cn1ccnc1[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560551272 944250760 /nfs/dbraw/zinc/25/07/60/944250760.db2.gz YIANNLMNJHNPLI-NRFANRHFSA-N 1 0 423.542 4.079 20 5 HIBDRO CCC[C@H]([NH2+][C@@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1)c1cccc([N+](=O)[O-])c1 ZINC000560571980 944259081 /nfs/dbraw/zinc/25/90/81/944259081.db2.gz LZMGWHKIOBVHBB-XEZPLFJOSA-N 1 0 405.524 4.103 20 5 HIBDRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000561954927 944873087 /nfs/dbraw/zinc/87/30/87/944873087.db2.gz JWWBGMCPBYVKLR-QGZVFWFLSA-N 1 0 413.493 4.386 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000564422470 945574013 /nfs/dbraw/zinc/57/40/13/945574013.db2.gz AUKDMWFCFOIJRO-UXHICEINSA-N 1 0 408.502 4.197 20 5 HIBDRO CC(C)N1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569870994 947027739 /nfs/dbraw/zinc/02/77/39/947027739.db2.gz PCELMUSZTATOBP-NQIIRXRSSA-N 1 0 415.444 4.063 20 5 HIBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000570135515 947113664 /nfs/dbraw/zinc/11/36/64/947113664.db2.gz RXRVRIJXNBEOQM-KRWDZBQOSA-N 1 0 400.454 4.158 20 5 HIBDRO COC[C@]1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000570889130 947386049 /nfs/dbraw/zinc/38/60/49/947386049.db2.gz KKUNAPJTVZSZFG-RPBOFIJWSA-N 1 0 418.493 4.388 20 5 HIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]1n1cccn1 ZINC000571422004 947638406 /nfs/dbraw/zinc/63/84/06/947638406.db2.gz NJGBHZCAQFEYHQ-RLLQIKCJSA-N 1 0 416.865 4.213 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000571690644 947748471 /nfs/dbraw/zinc/74/84/71/947748471.db2.gz KFMKFSHKVJISLE-LBPRGKRZSA-N 1 0 411.380 4.302 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000571785662 947780630 /nfs/dbraw/zinc/78/06/30/947780630.db2.gz BHNWLNAJJKRBBY-UHFFFAOYSA-N 1 0 413.905 4.377 20 5 HIBDRO CSc1ccc([C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000572796090 948012729 /nfs/dbraw/zinc/01/27/29/948012729.db2.gz ZZHOBFMYWACVAL-IBGZPJMESA-N 1 0 419.522 4.153 20 5 HIBDRO CSc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000572796091 948012948 /nfs/dbraw/zinc/01/29/48/948012948.db2.gz ZZHOBFMYWACVAL-LJQANCHMSA-N 1 0 419.522 4.153 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288549 948146760 /nfs/dbraw/zinc/14/67/60/948146760.db2.gz UOHHFPXSMNWBKX-DYVFJYSZSA-N 1 0 400.422 4.459 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000573943215 948329424 /nfs/dbraw/zinc/32/94/24/948329424.db2.gz WRCDUQGSVQBIKG-QGZVFWFLSA-N 1 0 420.469 4.076 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000574951245 948563230 /nfs/dbraw/zinc/56/32/30/948563230.db2.gz HKAAZEGMJKAXBY-UHFFFAOYSA-N 1 0 417.412 4.051 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC001164626144 719103236 /nfs/dbraw/zinc/10/32/36/719103236.db2.gz IGNMGVUPKKSGDD-XXBNENTESA-N 1 0 415.497 4.153 20 5 HIBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164635840 719255393 /nfs/dbraw/zinc/25/53/93/719255393.db2.gz QRZQFPUQEZCMLE-IAGOWNOFSA-N 1 0 406.486 4.251 20 5 HIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)ncc4[N+](=O)[O-])CC3)CC2)cc1 ZINC001164769536 721041772 /nfs/dbraw/zinc/04/17/72/721041772.db2.gz WPLIVFJCMLOCMU-UHFFFAOYSA-N 1 0 415.925 4.229 20 5 HIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164792841 721494662 /nfs/dbraw/zinc/49/46/62/721494662.db2.gz TXOSGKCJASCXHP-UHFFFAOYSA-N 1 0 417.513 4.419 20 5 HIBDRO C[NH+](C)CC1CCN(c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])CC1 ZINC001165042213 721945595 /nfs/dbraw/zinc/94/55/95/721945595.db2.gz QKQZMRFLMQJAHL-UHFFFAOYSA-N 1 0 408.861 4.353 20 5 HIBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436066974 861349098 /nfs/dbraw/zinc/34/90/98/861349098.db2.gz LXZZUYUHSUHUSE-CQSZACIVSA-N 1 0 415.484 4.200 20 5 HIBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436066973 861349475 /nfs/dbraw/zinc/34/94/75/861349475.db2.gz LXZZUYUHSUHUSE-AWEZNQCLSA-N 1 0 415.484 4.200 20 5 HIBDRO C[C@@H]1CCC[C@](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)([NH+](C)C)C1 ZINC000436151328 861449304 /nfs/dbraw/zinc/44/93/04/861449304.db2.gz LLHRNPKEWWXUHZ-MYYSRTQBSA-N 1 0 409.505 4.061 20 5 HIBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436157895 861457758 /nfs/dbraw/zinc/45/77/58/861457758.db2.gz XLBZGCQYAWXGKX-HNNXBMFYSA-N 1 0 409.505 4.061 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448533 845334420 /nfs/dbraw/zinc/33/44/20/845334420.db2.gz LNFPOOSFEFDRTI-KRWDZBQOSA-N 1 0 413.543 4.378 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000007492035 845344958 /nfs/dbraw/zinc/34/49/58/845344958.db2.gz BJNBAQJMLBBWMB-UHFFFAOYSA-N 1 0 408.285 4.296 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000010448317 845662820 /nfs/dbraw/zinc/66/28/20/845662820.db2.gz FFQQOCMDYSEMDR-GOSISDBHSA-N 1 0 405.882 4.070 20 5 HIBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436295546 861599946 /nfs/dbraw/zinc/59/99/46/861599946.db2.gz RLPJXLOJSVTCJL-MRXNPFEDSA-N 1 0 409.505 4.205 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000011652281 845821337 /nfs/dbraw/zinc/82/13/37/845821337.db2.gz SWJWZUSVYFXIJN-HSZRJFAPSA-N 1 0 424.545 4.011 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022994973 846646674 /nfs/dbraw/zinc/64/66/74/846646674.db2.gz XKRWQQCPWVVPNE-UHFFFAOYSA-N 1 0 423.435 4.330 20 5 HIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000023139348 846664054 /nfs/dbraw/zinc/66/40/54/846664054.db2.gz GQWOECLANOCGPP-UHFFFAOYSA-N 1 0 423.300 4.296 20 5 HIBDRO C[C@H]([NH2+]C1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000436399510 861746092 /nfs/dbraw/zinc/74/60/92/861746092.db2.gz JBMBQXYKCFJRKA-AWEZNQCLSA-N 1 0 424.423 4.321 20 5 HIBDRO C[NH+](C)CCc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000436405701 861753843 /nfs/dbraw/zinc/75/38/43/861753843.db2.gz GGFMBYHUFVPLLC-UHFFFAOYSA-N 1 0 403.457 4.177 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@]3(O)CCC[C@H](C(F)(F)F)C3)cs2)c1 ZINC000436410742 861760593 /nfs/dbraw/zinc/76/05/93/861760593.db2.gz LANSDUXKTLYJAD-SUMWQHHRSA-N 1 0 415.437 4.292 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027209601 847266340 /nfs/dbraw/zinc/26/63/40/847266340.db2.gz PMEOFYRHQLPRQV-IFMALSPDSA-N 1 0 412.873 4.367 20 5 HIBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c2ncccc12 ZINC000029871595 847638864 /nfs/dbraw/zinc/63/88/64/847638864.db2.gz UCWSSCHCSSHPTI-UHFFFAOYSA-N 1 0 416.403 4.484 20 5 HIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000030492778 847721298 /nfs/dbraw/zinc/72/12/98/847721298.db2.gz FTBIHGJXVFNAJD-CVEARBPZSA-N 1 0 415.490 4.377 20 5 HIBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030552278 847734892 /nfs/dbraw/zinc/73/48/92/847734892.db2.gz GMMITFMDNNBWLS-UHFFFAOYSA-N 1 0 410.518 4.089 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000031078195 847818707 /nfs/dbraw/zinc/81/87/07/847818707.db2.gz CARPJPRLJRWBKT-UHFFFAOYSA-N 1 0 419.481 4.262 20 5 HIBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043342255 848411210 /nfs/dbraw/zinc/41/12/10/848411210.db2.gz GNIJKXSKHITMDG-UHFFFAOYSA-N 1 0 402.882 4.296 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000045780072 848726506 /nfs/dbraw/zinc/72/65/06/848726506.db2.gz QAVHFDFBLDQNLL-SFHVURJKSA-N 1 0 410.518 4.311 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000045787972 848729036 /nfs/dbraw/zinc/72/90/36/848729036.db2.gz KGQZUHLYOLTYGO-SFHVURJKSA-N 1 0 410.518 4.168 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000045820147 848735098 /nfs/dbraw/zinc/73/50/98/848735098.db2.gz YFDDZZCMWCLIFU-IBGZPJMESA-N 1 0 404.898 4.103 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000049790424 849329928 /nfs/dbraw/zinc/32/99/28/849329928.db2.gz JWWMAGLPKXACBS-LJQANCHMSA-N 1 0 416.547 4.271 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133710 849436062 /nfs/dbraw/zinc/43/60/62/849436062.db2.gz OJLDCAINXQPFOU-AUSIDOKSSA-N 1 0 411.502 4.332 20 5 HIBDRO COc1cc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000055103312 849970788 /nfs/dbraw/zinc/97/07/88/849970788.db2.gz RUCHSJHYMUAWER-UHFFFAOYSA-N 1 0 408.401 4.290 20 5 HIBDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056161993 850264580 /nfs/dbraw/zinc/26/45/80/850264580.db2.gz PBLSXIVIGBUHBC-HUUCEWRRSA-N 1 0 401.463 4.070 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000056196550 850279605 /nfs/dbraw/zinc/27/96/05/850279605.db2.gz SGQQLSVJCWTBGV-QWHCGFSZSA-N 1 0 406.280 4.344 20 5 HIBDRO O=C(c1cc(NCc2cccc(C[NH+]3CCCC3)c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000059734094 851008942 /nfs/dbraw/zinc/00/89/42/851008942.db2.gz XJSYWBXXAOJPMM-UHFFFAOYSA-N 1 0 408.502 4.039 20 5 HIBDRO COc1cc(C[NH2+]Cc2cccc3c2OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000060527118 851134827 /nfs/dbraw/zinc/13/48/27/851134827.db2.gz WRFONQLJVRCGJH-UHFFFAOYSA-N 1 0 422.437 4.201 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000060527090 851135087 /nfs/dbraw/zinc/13/50/87/851135087.db2.gz PIVAMVMWXNYVII-UHFFFAOYSA-N 1 0 422.437 4.201 20 5 HIBDRO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000061011902 851272434 /nfs/dbraw/zinc/27/24/34/851272434.db2.gz XMRXUCMZSYKVRU-UHFFFAOYSA-N 1 0 408.454 4.481 20 5 HIBDRO COc1ccc(C[NH+]2CCC(CNc3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 ZINC000063282502 851650407 /nfs/dbraw/zinc/65/04/07/851650407.db2.gz GRKSDARMDRBXKU-UHFFFAOYSA-N 1 0 406.486 4.476 20 5 HIBDRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000063558614 851713668 /nfs/dbraw/zinc/71/36/68/851713668.db2.gz AHKAERUDEOCKCP-UHFFFAOYSA-N 1 0 404.894 4.403 20 5 HIBDRO 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 851749305 /nfs/dbraw/zinc/74/93/05/851749305.db2.gz QIYDWLOKIIZIAY-HDICACEKSA-N 1 0 416.566 4.024 20 5 HIBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000063756348 851756462 /nfs/dbraw/zinc/75/64/62/851756462.db2.gz ARTKBDNMVIGBRM-ZWKOTPCHSA-N 1 0 410.518 4.057 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064906409 852018348 /nfs/dbraw/zinc/01/83/48/852018348.db2.gz RMOFJOKXCPVSMV-UHFFFAOYSA-N 1 0 422.510 4.113 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[NH+](C)C)cc1 ZINC000065126633 852073653 /nfs/dbraw/zinc/07/36/53/852073653.db2.gz MYBCIXKTNAMHFC-IBGZPJMESA-N 1 0 410.499 4.059 20 5 HIBDRO O=C(c1cc(NC2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000065946391 852331364 /nfs/dbraw/zinc/33/13/64/852331364.db2.gz UIIAOEUSCFELLA-UHFFFAOYSA-N 1 0 414.550 4.287 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000068711891 852367794 /nfs/dbraw/zinc/36/77/94/852367794.db2.gz WZXWVSQWXRXBBV-KRWDZBQOSA-N 1 0 416.909 4.074 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000072058211 852489876 /nfs/dbraw/zinc/48/98/76/852489876.db2.gz LUEGDVLXMHXISC-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO CC[N@H+](CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000078454527 852515949 /nfs/dbraw/zinc/51/59/49/852515949.db2.gz OQQNSYGIWYTMEC-UHFFFAOYSA-N 1 0 403.866 4.255 20 5 HIBDRO COc1ccc(C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C2CC2)cc1 ZINC000096981768 852568012 /nfs/dbraw/zinc/56/80/12/852568012.db2.gz PAQFBOVEUWPULP-OAHLLOKOSA-N 1 0 408.458 4.454 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000107584785 852779101 /nfs/dbraw/zinc/77/91/01/852779101.db2.gz XGDGICLWAWLOBS-KRWDZBQOSA-N 1 0 411.502 4.155 20 5 HIBDRO O=C(c1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000108312312 852838163 /nfs/dbraw/zinc/83/81/63/852838163.db2.gz DRRXEHYUOUZJOG-FQEVSTJZSA-N 1 0 412.490 4.063 20 5 HIBDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000108416679 852848704 /nfs/dbraw/zinc/84/87/04/852848704.db2.gz BEACFJZNGULRFV-CABCVRRESA-N 1 0 401.463 4.070 20 5 HIBDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000108416685 852848867 /nfs/dbraw/zinc/84/88/67/852848867.db2.gz BEACFJZNGULRFV-LSDHHAIUSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000109350925 852957021 /nfs/dbraw/zinc/95/70/21/852957021.db2.gz FLIRVNWRNANONG-MRXNPFEDSA-N 1 0 405.564 4.236 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000109890961 853029883 /nfs/dbraw/zinc/02/98/83/853029883.db2.gz LBKKEXZWZZFFKI-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000109890200 853030436 /nfs/dbraw/zinc/03/04/36/853030436.db2.gz RBPRSAWVWQADIQ-FQEVSTJZSA-N 1 0 412.877 4.296 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000110081795 853058142 /nfs/dbraw/zinc/05/81/42/853058142.db2.gz OBXKOVOMYXKDDQ-UHFFFAOYSA-N 1 0 412.273 4.374 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C[C@H](C)O1 ZINC000111193816 853219026 /nfs/dbraw/zinc/21/90/26/853219026.db2.gz YQZZIAXGUHNXQB-GJZGRUSLSA-N 1 0 412.515 4.426 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000138622990 853393375 /nfs/dbraw/zinc/39/33/75/853393375.db2.gz QQPLTKJCXKRRPG-UHFFFAOYSA-N 1 0 403.529 4.118 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000147395386 853587782 /nfs/dbraw/zinc/58/77/82/853587782.db2.gz WFQGXRRAHNSSFE-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000217108876 853860385 /nfs/dbraw/zinc/86/03/85/853860385.db2.gz OUDVVSHMUOEAIC-CWTRNNRKSA-N 1 0 403.866 4.325 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CC[N@@H+](C4CC4)C3)o2)c(Br)c1 ZINC000236569219 853899841 /nfs/dbraw/zinc/89/98/41/853899841.db2.gz LJVPTTXDEUADKN-ZDUSSCGKSA-N 1 0 420.307 4.191 20 5 HIBDRO CC(C)N1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1=O ZINC000236615591 853902510 /nfs/dbraw/zinc/90/25/10/853902510.db2.gz QVVTZTKUHBHLKW-QGZVFWFLSA-N 1 0 403.866 4.139 20 5 HIBDRO CCCOc1c(Br)cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000236994476 853948208 /nfs/dbraw/zinc/94/82/08/853948208.db2.gz UVRZPDAWZWOIAR-UHFFFAOYSA-N 1 0 409.280 4.445 20 5 HIBDRO CN(C)[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1c(F)cccc1F ZINC000237178199 853976235 /nfs/dbraw/zinc/97/62/35/853976235.db2.gz NOKRXEJGJHVOLT-SFHVURJKSA-N 1 0 418.469 4.389 20 5 HIBDRO COc1cc(C[NH2+]CCc2c(F)cccc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237192393 853978697 /nfs/dbraw/zinc/97/86/97/853978697.db2.gz QKVGNTWUWGXISC-UHFFFAOYSA-N 1 0 420.334 4.155 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237280006 853996269 /nfs/dbraw/zinc/99/62/69/853996269.db2.gz YNHJSOVGDRMBGZ-FZKQIMNGSA-N 1 0 420.428 4.085 20 5 HIBDRO COc1ccc(CNC2CC[NH+](C(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237321565 854006130 /nfs/dbraw/zinc/00/61/30/854006130.db2.gz LAIDOPRNIADLMO-UHFFFAOYSA-N 1 0 413.518 4.145 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237389211 854020269 /nfs/dbraw/zinc/02/02/69/854020269.db2.gz GTKIEPVRDSMLFH-KOEDOTQGSA-N 1 0 408.502 4.215 20 5 HIBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237399831 854023503 /nfs/dbraw/zinc/02/35/03/854023503.db2.gz VGCXGSHNCKGVPE-KDOFPFPSSA-N 1 0 406.866 4.324 20 5 HIBDRO C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2ccccc2C1 ZINC000237598076 854060702 /nfs/dbraw/zinc/06/07/02/854060702.db2.gz SHSDKORPJOTAEY-MRXNPFEDSA-N 1 0 408.527 4.255 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1 ZINC000237708165 854079573 /nfs/dbraw/zinc/07/95/73/854079573.db2.gz ZOBOCHFAEKXJPK-ZDUSSCGKSA-N 1 0 400.788 4.031 20 5 HIBDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CC2 ZINC000237707671 854079665 /nfs/dbraw/zinc/07/96/65/854079665.db2.gz FKZWFCRPMMNQPP-OAHLLOKOSA-N 1 0 413.865 4.045 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)s1 ZINC000237705132 854079678 /nfs/dbraw/zinc/07/96/78/854079678.db2.gz DODQZDSSRIOVKT-UHFFFAOYSA-N 1 0 423.420 4.334 20 5 HIBDRO O=C(NCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237880679 854113879 /nfs/dbraw/zinc/11/38/79/854113879.db2.gz KTIRKVQWXAEKRP-UHFFFAOYSA-N 1 0 409.417 4.046 20 5 HIBDRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000237935753 854121604 /nfs/dbraw/zinc/12/16/04/854121604.db2.gz BIBFUBWRRQXNCQ-LSDHHAIUSA-N 1 0 403.866 4.174 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(CO)c3)o2)c(Br)c1 ZINC000237987676 854129625 /nfs/dbraw/zinc/12/96/25/854129625.db2.gz BZGXQXIPBJBEKW-UHFFFAOYSA-N 1 0 417.259 4.399 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccc3CN3CCOCC3)s2)cc1 ZINC000238001468 854131748 /nfs/dbraw/zinc/13/17/48/854131748.db2.gz FFMHEVBTSDPBKU-UHFFFAOYSA-N 1 0 423.538 4.445 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(CNCCC[N@@H+]3CCc4ccccc4C3)cs2)c1 ZINC000238006237 854133022 /nfs/dbraw/zinc/13/30/22/854133022.db2.gz QBPCYVKGQAUHPU-UHFFFAOYSA-N 1 0 408.527 4.256 20 5 HIBDRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000238043927 854136521 /nfs/dbraw/zinc/13/65/21/854136521.db2.gz SIFZOJGAONRKMJ-QPJJXVBHSA-N 1 0 417.469 4.115 20 5 HIBDRO Cn1c(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000301268162 854343976 /nfs/dbraw/zinc/34/39/76/854343976.db2.gz GBDKNOLIPONOPM-UHFFFAOYSA-N 1 0 421.832 4.014 20 5 HIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000301273677 854345192 /nfs/dbraw/zinc/34/51/92/854345192.db2.gz KZOYLMDAJOJJMP-LLVKDONJSA-N 1 0 407.820 4.180 20 5 HIBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000301294382 854350681 /nfs/dbraw/zinc/35/06/81/854350681.db2.gz QVEAQZGRULPKGA-WMLDXEAASA-N 1 0 411.428 4.151 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301687142 854445328 /nfs/dbraw/zinc/44/53/28/854445328.db2.gz VYIPKZWHZBFZCP-AWEZNQCLSA-N 1 0 411.344 4.233 20 5 HIBDRO O=C(c1ccccc1)c1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000301712335 854450544 /nfs/dbraw/zinc/45/05/44/854450544.db2.gz VNDGUQBOBIZPKF-JTHBVZDNSA-N 1 0 423.513 4.006 20 5 HIBDRO CC1CC[NH+](C2CCC(Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)CC1 ZINC000301757253 854460260 /nfs/dbraw/zinc/46/02/60/854460260.db2.gz ALKSZPVSNAXXFK-UHFFFAOYSA-N 1 0 414.550 4.286 20 5 HIBDRO Cc1cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302135132 854534850 /nfs/dbraw/zinc/53/48/50/854534850.db2.gz CYBAGARZVLYFQL-HNNXBMFYSA-N 1 0 400.479 4.193 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000303418720 854920839 /nfs/dbraw/zinc/92/08/39/854920839.db2.gz CCSAPNFPLSFZIV-AYHJJNSGSA-N 1 0 411.527 4.242 20 5 HIBDRO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000303788751 855198766 /nfs/dbraw/zinc/19/87/66/855198766.db2.gz UPHQNUJRUCUYJK-YLJYHZDGSA-N 1 0 411.502 4.119 20 5 HIBDRO COc1ccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000303870087 855261475 /nfs/dbraw/zinc/26/14/75/855261475.db2.gz NMMFIIARVKMHBE-UHFFFAOYSA-N 1 0 423.513 4.007 20 5 HIBDRO CC(C)(CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000425989592 856033655 /nfs/dbraw/zinc/03/36/55/856033655.db2.gz TWNQSDNLKCDSPZ-UHFFFAOYSA-N 1 0 422.529 4.106 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426249672 856201056 /nfs/dbraw/zinc/20/10/56/856201056.db2.gz GBKZIQUEHVCDOL-JOCHJYFZSA-N 1 0 408.502 4.106 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[NH+]2CCCC2)o1 ZINC000426295568 856227254 /nfs/dbraw/zinc/22/72/54/856227254.db2.gz NVYYLRVGDGTTBI-HXUWFJFHSA-N 1 0 412.490 4.007 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000437465980 862827970 /nfs/dbraw/zinc/82/79/70/862827970.db2.gz HRNURRAGCWIWSL-ZWKOTPCHSA-N 1 0 413.543 4.198 20 5 HIBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427213812 856715977 /nfs/dbraw/zinc/71/59/77/856715977.db2.gz YDYNBJYSFQVVGQ-GOSISDBHSA-N 1 0 411.502 4.168 20 5 HIBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])C[C@H]2C1 ZINC000427785851 856952835 /nfs/dbraw/zinc/95/28/35/856952835.db2.gz XFDXUPPIWROURU-OKILXGFUSA-N 1 0 417.918 4.033 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000430142860 858051637 /nfs/dbraw/zinc/05/16/37/858051637.db2.gz ASCBQQXEOMJJJU-PXAZEXFGSA-N 1 0 411.271 4.141 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431671304 858729080 /nfs/dbraw/zinc/72/90/80/858729080.db2.gz SWGFQQBPDZHWQK-XLIONFOSSA-N 1 0 410.518 4.182 20 5 HIBDRO C[C@H]1C[N@H+](CCCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432347425 859113777 /nfs/dbraw/zinc/11/37/77/859113777.db2.gz NHEUBZPLPOBONM-KRWDZBQOSA-N 1 0 417.481 4.117 20 5 HIBDRO CCOc1cc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000433047282 859498777 /nfs/dbraw/zinc/49/87/77/859498777.db2.gz WSEZDLDWOJKQDD-QFBILLFUSA-N 1 0 416.522 4.198 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433171025 859551673 /nfs/dbraw/zinc/55/16/73/859551673.db2.gz BSPDBSCRZNLMMF-HXUWFJFHSA-N 1 0 424.497 4.384 20 5 HIBDRO COC[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000433210013 859568431 /nfs/dbraw/zinc/56/84/31/859568431.db2.gz ZQMIFUHFDHKIJU-LPHOPBHVSA-N 1 0 406.866 4.324 20 5 HIBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000434317331 860278096 /nfs/dbraw/zinc/27/80/96/860278096.db2.gz PSRRUEVVZFCCQF-IBGZPJMESA-N 1 0 419.485 4.107 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)nc2c1 ZINC000435028450 860605896 /nfs/dbraw/zinc/60/58/96/860605896.db2.gz UYOBPPSLGRZGKH-QHCPKHFHSA-N 1 0 406.486 4.224 20 5 HIBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000435326463 860737425 /nfs/dbraw/zinc/73/74/25/860737425.db2.gz DAFRZTKHTGJLBR-SMDDNHRTSA-N 1 0 413.316 4.002 20 5 HIBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000435541415 860856348 /nfs/dbraw/zinc/85/63/48/860856348.db2.gz YFAZWRDVCUAFKC-QGZVFWFLSA-N 1 0 420.513 4.193 20 5 HIBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437835931 863188816 /nfs/dbraw/zinc/18/88/16/863188816.db2.gz BROXYVCBUVTQRV-HXUWFJFHSA-N 1 0 417.553 4.068 20 5 HIBDRO C[C@@H](CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+](C)Cc1ccccc1 ZINC000437973315 863341628 /nfs/dbraw/zinc/34/16/28/863341628.db2.gz YVCWUXIFPBSCAP-SFHVURJKSA-N 1 0 410.518 4.179 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000439110953 864547489 /nfs/dbraw/zinc/54/74/89/864547489.db2.gz UHGABFAVCPWDAA-UHFFFAOYSA-N 1 0 401.894 4.293 20 5 HIBDRO Cc1c(CC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000439136009 864568135 /nfs/dbraw/zinc/56/81/35/864568135.db2.gz WVQTZTLZYZIQBI-UHFFFAOYSA-N 1 0 423.435 4.055 20 5 HIBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000439141611 864573948 /nfs/dbraw/zinc/57/39/48/864573948.db2.gz SWOKDIWCSPSLNO-UHFFFAOYSA-N 1 0 416.909 4.259 20 5 HIBDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000439471756 864843528 /nfs/dbraw/zinc/84/35/28/864843528.db2.gz QHQDSYHEDKFDHN-KSFYIVLOSA-N 1 0 413.474 4.194 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000439730339 865062888 /nfs/dbraw/zinc/06/28/88/865062888.db2.gz UVGFVSLIVQYZAM-UHFFFAOYSA-N 1 0 418.291 4.273 20 5 HIBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000439751085 865080443 /nfs/dbraw/zinc/08/04/43/865080443.db2.gz WIEHEJQVGXXCFV-AWEZNQCLSA-N 1 0 410.499 4.160 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000439883903 865194887 /nfs/dbraw/zinc/19/48/87/865194887.db2.gz VGKFJGSHJGETTK-KUHUBIRLSA-N 1 0 418.519 4.260 20 5 HIBDRO CSc1cccc(N(C(=O)Cc2cccc([N+](=O)[O-])c2C)C2CC[NH+](C)CC2)c1 ZINC000440057077 865331251 /nfs/dbraw/zinc/33/12/51/865331251.db2.gz YZFHYQCHOWDZEH-UHFFFAOYSA-N 1 0 413.543 4.295 20 5 HIBDRO C[C@H](OC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441257021 866330885 /nfs/dbraw/zinc/33/08/85/866330885.db2.gz ANMSANZZOVISGC-MGPUTAFESA-N 1 0 404.894 4.351 20 5 HIBDRO C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000443221770 867880433 /nfs/dbraw/zinc/88/04/33/867880433.db2.gz HHIQKJISSGUATO-IJLUTSLNSA-N 1 0 409.284 4.265 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000443414878 867999965 /nfs/dbraw/zinc/99/99/65/867999965.db2.gz PPVJJPYRXWCFCS-QGZVFWFLSA-N 1 0 424.419 4.060 20 5 HIBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000444013054 868536193 /nfs/dbraw/zinc/53/61/93/868536193.db2.gz UKJJVHOLWRRXNG-UHFFFAOYSA-N 1 0 415.493 4.264 20 5 HIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444112952 868625283 /nfs/dbraw/zinc/62/52/83/868625283.db2.gz QVHSKWAVPLABLC-UHFFFAOYSA-N 1 0 403.457 4.443 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000444175544 868650742 /nfs/dbraw/zinc/65/07/42/868650742.db2.gz KRIGBKZGVAEEIO-LIRRHRJNSA-N 1 0 401.438 4.154 20 5 HIBDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444597735 868897179 /nfs/dbraw/zinc/89/71/79/868897179.db2.gz ORIWWFAIKJCRNQ-UHFFFAOYSA-N 1 0 408.437 4.065 20 5 HIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000444663585 868942292 /nfs/dbraw/zinc/94/22/92/868942292.db2.gz YXXYSIDNMYDIOS-CYBMUJFWSA-N 1 0 417.416 4.327 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000444677076 868953203 /nfs/dbraw/zinc/95/32/03/868953203.db2.gz PFSHMUXSZVVCOZ-LBPRGKRZSA-N 1 0 403.389 4.019 20 5 HIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)s1 ZINC000444763440 868991328 /nfs/dbraw/zinc/99/13/28/868991328.db2.gz DDHVXHIWGJTNHS-QMMMGPOBSA-N 1 0 418.700 4.362 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444830111 869036960 /nfs/dbraw/zinc/03/69/60/869036960.db2.gz UCSQLHGCGZGOFM-UHFFFAOYSA-N 1 0 413.521 4.453 20 5 HIBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000444929433 869113470 /nfs/dbraw/zinc/11/34/70/869113470.db2.gz YDGYZYOUQVOVBK-QFBILLFUSA-N 1 0 412.490 4.293 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[N@@H+]1Cc1ccccc1 ZINC000444990853 869148127 /nfs/dbraw/zinc/14/81/27/869148127.db2.gz JQJBOVLBLYISRC-PKOBYXMFSA-N 1 0 411.505 4.074 20 5 HIBDRO C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445165168 869253678 /nfs/dbraw/zinc/25/36/78/869253678.db2.gz YQXQWDAYVFSJIN-IAGOWNOFSA-N 1 0 403.526 4.064 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445489635 869559765 /nfs/dbraw/zinc/55/97/65/869559765.db2.gz FAQLTMZHMJUQHG-SFHVURJKSA-N 1 0 422.529 4.237 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000445493533 869562205 /nfs/dbraw/zinc/56/22/05/869562205.db2.gz PMKKPJUGYBBOQJ-SFHVURJKSA-N 1 0 422.529 4.095 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000445987782 869951170 /nfs/dbraw/zinc/95/11/70/869951170.db2.gz IOVSRQOFSZKEME-IAGOWNOFSA-N 1 0 407.392 4.138 20 5 HIBDRO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000446001971 869965480 /nfs/dbraw/zinc/96/54/80/869965480.db2.gz CWWFJOYLAFTXMJ-RDJZCZTQSA-N 1 0 418.291 4.222 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000446487792 870401023 /nfs/dbraw/zinc/40/10/23/870401023.db2.gz FUKJVFFPWITKEX-DENIHFKCSA-N 1 0 408.502 4.422 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)[NH+]1CCCCC1 ZINC000446499979 870418148 /nfs/dbraw/zinc/41/81/48/870418148.db2.gz UCJLHWRJDDLLBR-FQEVSTJZSA-N 1 0 412.490 4.261 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446840963 870760123 /nfs/dbraw/zinc/76/01/23/870760123.db2.gz KPUCECTYIZUNMM-UHFFFAOYSA-N 1 0 408.502 4.213 20 5 HIBDRO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)n1 ZINC000446975190 870873712 /nfs/dbraw/zinc/87/37/12/870873712.db2.gz PUYWSUFRDHJLEK-OAHLLOKOSA-N 1 0 413.503 4.152 20 5 HIBDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1OCC(=O)N(C)C ZINC000447528934 871393363 /nfs/dbraw/zinc/39/33/63/871393363.db2.gz KAQYHPYTRIXFMI-RTWAWAEBSA-N 1 0 411.502 4.180 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cc(Br)ccc2F)n1 ZINC000447531057 871395476 /nfs/dbraw/zinc/39/54/76/871395476.db2.gz OGWWCXVMOGXOAO-JKSUJKDBSA-N 1 0 411.275 4.009 20 5 HIBDRO CCCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447533840 871397821 /nfs/dbraw/zinc/39/78/21/871397821.db2.gz YVONTTPJVACTBW-QZTJIDSGSA-N 1 0 402.495 4.252 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC000447550817 871427152 /nfs/dbraw/zinc/42/71/52/871427152.db2.gz OGTUFVDJPQYJNO-DLBZAZTESA-N 1 0 412.412 4.144 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000447554417 871434880 /nfs/dbraw/zinc/43/48/80/871434880.db2.gz VQXBKCUXTHIMDG-MRXNPFEDSA-N 1 0 416.421 4.258 20 5 HIBDRO CN1CCO[C@H]([C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000447585995 871492604 /nfs/dbraw/zinc/49/26/04/871492604.db2.gz MDYHRBWYVZQMFA-FSSWDIPSSA-N 1 0 415.921 4.287 20 5 HIBDRO COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447585508 871495139 /nfs/dbraw/zinc/49/51/39/871495139.db2.gz JKVPKFJWJIYBKH-ZACQAIPSSA-N 1 0 404.536 4.302 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448450635 872396519 /nfs/dbraw/zinc/39/65/19/872396519.db2.gz VKUCVRAISDJMCE-VGOFRKELSA-N 1 0 421.497 4.476 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460345160 872962799 /nfs/dbraw/zinc/96/27/99/872962799.db2.gz FQXDCJXZGABLGB-QZTJIDSGSA-N 1 0 420.513 4.496 20 5 HIBDRO CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000460497091 873183322 /nfs/dbraw/zinc/18/33/22/873183322.db2.gz RXJFIXLOTQFTNI-FUDKSRODSA-N 1 0 422.529 4.209 20 5 HIBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH2+][C@H](C)c1ccccc1 ZINC000468699436 882819832 /nfs/dbraw/zinc/81/98/32/882819832.db2.gz IFYBZQGPVSQBFE-AEFFLSMTSA-N 1 0 419.547 4.176 20 5 HIBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cccc21 ZINC000468875822 882909650 /nfs/dbraw/zinc/90/96/50/882909650.db2.gz FOQJLQBVNBUGDC-SFHVURJKSA-N 1 0 424.482 4.356 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000462519696 875636811 /nfs/dbraw/zinc/63/68/11/875636811.db2.gz WZRDGVOIROHJCZ-IBGZPJMESA-N 1 0 422.485 4.213 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462621720 875733248 /nfs/dbraw/zinc/73/32/48/875733248.db2.gz RZDKCRBPAVSZKU-UGKGYDQZSA-N 1 0 409.530 4.287 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000462756775 875821067 /nfs/dbraw/zinc/82/10/67/875821067.db2.gz PNSMUEOBOWESBQ-VLCRHTCISA-N 1 0 417.465 4.101 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462997048 876010965 /nfs/dbraw/zinc/01/09/65/876010965.db2.gz PGRZUMBSACSHHO-RTWAWAEBSA-N 1 0 401.551 4.278 20 5 HIBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463093668 876126239 /nfs/dbraw/zinc/12/62/39/876126239.db2.gz NFYUQXZPUIADSR-MRXNPFEDSA-N 1 0 407.392 4.008 20 5 HIBDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000469009826 883078477 /nfs/dbraw/zinc/07/84/77/883078477.db2.gz OASXSNBKUVCVBT-IISPMBILSA-N 1 0 411.502 4.131 20 5 HIBDRO COc1cccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[NH+]2CCCC2)c1 ZINC000463973819 877101658 /nfs/dbraw/zinc/10/16/58/877101658.db2.gz HITWMFAGDCEBLZ-OAQYLSRUSA-N 1 0 412.490 4.179 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463980442 877111072 /nfs/dbraw/zinc/11/10/72/877111072.db2.gz ZCUVFGDTJWIQAK-IBGZPJMESA-N 1 0 411.506 4.125 20 5 HIBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000464340846 877530600 /nfs/dbraw/zinc/53/06/00/877530600.db2.gz LFEGLSIIXITFMV-NRFANRHFSA-N 1 0 422.529 4.201 20 5 HIBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000464340858 877530748 /nfs/dbraw/zinc/53/07/48/877530748.db2.gz LFEGLSIIXITFMV-OAQYLSRUSA-N 1 0 422.529 4.201 20 5 HIBDRO CC[N@H+](Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1)C1CC1 ZINC000464637286 877855171 /nfs/dbraw/zinc/85/51/71/877855171.db2.gz ZDWJFUNYLKYBDF-UHFFFAOYSA-N 1 0 423.513 4.263 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000464733595 877969883 /nfs/dbraw/zinc/96/98/83/877969883.db2.gz JWLSPUXNVSHIPC-AUUYWEPGSA-N 1 0 401.438 4.154 20 5 HIBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000464935348 878264820 /nfs/dbraw/zinc/26/48/20/878264820.db2.gz SOALALLPHCNDBU-QGZVFWFLSA-N 1 0 416.909 4.027 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000466361742 880120287 /nfs/dbraw/zinc/12/02/87/880120287.db2.gz DJUBGIOVPCDXKO-WJDWOHSUSA-N 1 0 401.894 4.278 20 5 HIBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000466589621 880362184 /nfs/dbraw/zinc/36/21/84/880362184.db2.gz ZPJXUCOYEIHSAQ-CQSZACIVSA-N 1 0 422.938 4.021 20 5 HIBDRO O=C1c2ccccc2CCN1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000466906132 880672627 /nfs/dbraw/zinc/67/26/27/880672627.db2.gz YPYMCUQERGBVJL-UHFFFAOYSA-N 1 0 407.495 4.111 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467412691 881199689 /nfs/dbraw/zinc/19/96/89/881199689.db2.gz JQSBTRQOGQRACZ-MRXNPFEDSA-N 1 0 403.910 4.196 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000467451360 881255087 /nfs/dbraw/zinc/25/50/87/881255087.db2.gz UDTYZXFKWOWNHQ-YJBOKZPZSA-N 1 0 416.909 4.101 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000469104150 883194585 /nfs/dbraw/zinc/19/45/85/883194585.db2.gz VGHLLJRQVGPSSC-INIZCTEOSA-N 1 0 414.359 4.177 20 5 HIBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000469931794 884125303 /nfs/dbraw/zinc/12/53/03/884125303.db2.gz YRNVRLZQYHPCQP-HNNXBMFYSA-N 1 0 422.407 4.257 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470117067 884378232 /nfs/dbraw/zinc/37/82/32/884378232.db2.gz JFQJZJGASSSAQK-KRWDZBQOSA-N 1 0 400.454 4.110 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000470173603 884454034 /nfs/dbraw/zinc/45/40/34/884454034.db2.gz DJLFXBVVUHCXMT-DTQAZKPQSA-N 1 0 412.465 4.423 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000470173604 884454303 /nfs/dbraw/zinc/45/43/03/884454303.db2.gz DJLFXBVVUHCXMT-SSZFMOIBSA-N 1 0 412.465 4.423 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000470181361 884469596 /nfs/dbraw/zinc/46/95/96/884469596.db2.gz BQUYYRJPAYCSPQ-DTQAZKPQSA-N 1 0 405.458 4.323 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503944768 912877414 /nfs/dbraw/zinc/87/74/14/912877414.db2.gz IIHDKCPHKIXQGT-QFBILLFUSA-N 1 0 400.475 4.087 20 5 HIBDRO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000470610681 885037206 /nfs/dbraw/zinc/03/72/06/885037206.db2.gz FILCPJXYLHFKAD-NQIIRXRSSA-N 1 0 410.518 4.004 20 5 HIBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470849444 885347450 /nfs/dbraw/zinc/34/74/50/885347450.db2.gz ZWQPZWMJXXTOKF-UHFFFAOYSA-N 1 0 418.925 4.274 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471288183 885872679 /nfs/dbraw/zinc/87/26/79/885872679.db2.gz QUSPGLHOVPCOAK-GOSISDBHSA-N 1 0 413.543 4.349 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000472502708 887370316 /nfs/dbraw/zinc/37/03/16/887370316.db2.gz OXZRSIXIKPJJSO-HUUCEWRRSA-N 1 0 401.894 4.135 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000472512908 887382363 /nfs/dbraw/zinc/38/23/63/887382363.db2.gz GBDXBRUWGLTWTL-HOTGVXAUSA-N 1 0 407.470 4.227 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474220090 889058206 /nfs/dbraw/zinc/05/82/06/889058206.db2.gz SGZHKCOZOHNGJH-SFHVURJKSA-N 1 0 424.457 4.300 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000474344514 889219737 /nfs/dbraw/zinc/21/97/37/889219737.db2.gz AVUIQVOKAVWPEA-MRXNPFEDSA-N 1 0 421.453 4.059 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccccc2Cl)C(C)C)cc1[N+](=O)[O-] ZINC000474350184 889228997 /nfs/dbraw/zinc/22/89/97/889228997.db2.gz BGBSLZDUADVVSY-FQEVSTJZSA-N 1 0 406.866 4.287 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000474352505 889230183 /nfs/dbraw/zinc/23/01/83/889230183.db2.gz OTSNSCIUSYPPHS-FQEVSTJZSA-N 1 0 404.850 4.041 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC000474358308 889236748 /nfs/dbraw/zinc/23/67/48/889236748.db2.gz YQVKKHLKWKMROA-OAQYLSRUSA-N 1 0 418.877 4.431 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000474370688 889249811 /nfs/dbraw/zinc/24/98/11/889249811.db2.gz WDRHDPYUKWCGPN-MRXNPFEDSA-N 1 0 421.453 4.059 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccsc1 ZINC000475200966 890069815 /nfs/dbraw/zinc/06/98/15/890069815.db2.gz CQOUHINGEMVCQT-CQSZACIVSA-N 1 0 402.398 4.100 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCn3cc(Br)cn3)o2)cc1 ZINC000475212411 890081615 /nfs/dbraw/zinc/08/16/15/890081615.db2.gz USCWOGUMIINWDV-UHFFFAOYSA-N 1 0 419.279 4.384 20 5 HIBDRO COc1cc(C[NH2+]CCc2cccc(C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270402 890166337 /nfs/dbraw/zinc/16/63/37/890166337.db2.gz QXUXLHNQFMHJLP-UHFFFAOYSA-N 1 0 407.470 4.218 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000475577593 890508345 /nfs/dbraw/zinc/50/83/45/890508345.db2.gz ZOOACEIDSBIOJY-UHFFFAOYSA-N 1 0 402.520 4.307 20 5 HIBDRO COC(=O)COc1ccc(C[N@H+](Cc2ccoc2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000475705732 890643752 /nfs/dbraw/zinc/64/37/52/890643752.db2.gz WCPCONPFTPUMBE-UHFFFAOYSA-N 1 0 402.447 4.075 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000504893492 913622460 /nfs/dbraw/zinc/62/24/60/913622460.db2.gz GBYQLTKXVKUUJV-FQEVSTJZSA-N 1 0 415.559 4.088 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000504899979 913632110 /nfs/dbraw/zinc/63/21/10/913632110.db2.gz PCAWTJABDHBUJF-HXUWFJFHSA-N 1 0 415.559 4.088 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000504900007 913632501 /nfs/dbraw/zinc/63/25/01/913632501.db2.gz PNSKZNJJCTUXNV-INIZCTEOSA-N 1 0 420.469 4.492 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000504900126 913632613 /nfs/dbraw/zinc/63/26/13/913632613.db2.gz RORMWBLBXSNZNI-JTSKRJEESA-N 1 0 413.518 4.490 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000477309379 892272198 /nfs/dbraw/zinc/27/21/98/892272198.db2.gz HAXVWJJNNUUXJT-SFHVURJKSA-N 1 0 417.893 4.132 20 5 HIBDRO Cc1c(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000477723951 892827122 /nfs/dbraw/zinc/82/71/22/892827122.db2.gz KMYAQNYGMGJGQH-GFCCVEGCSA-N 1 0 406.280 4.173 20 5 HIBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000477959775 893050296 /nfs/dbraw/zinc/05/02/96/893050296.db2.gz CJYAFPHVHHXLFF-UHFFFAOYSA-N 1 0 411.527 4.493 20 5 HIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[NH+](C)C ZINC000504984607 913731238 /nfs/dbraw/zinc/73/12/38/913731238.db2.gz HBVPHICJEMBWLG-UGSOOPFHSA-N 1 0 409.408 4.343 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000478341506 893585301 /nfs/dbraw/zinc/58/53/01/893585301.db2.gz LXHGMQCNVDWFFK-QGZVFWFLSA-N 1 0 403.523 4.110 20 5 HIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000478493760 893811761 /nfs/dbraw/zinc/81/17/61/893811761.db2.gz SYHFUXUZFAPCEE-INIZCTEOSA-N 1 0 402.516 4.470 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478626746 893883781 /nfs/dbraw/zinc/88/37/81/893883781.db2.gz YJDJFDYVZZTLHT-LJQANCHMSA-N 1 0 416.566 4.290 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000478978295 894255602 /nfs/dbraw/zinc/25/56/02/894255602.db2.gz UPVCPDDQRJSQSB-INIZCTEOSA-N 1 0 407.561 4.437 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3nn(C)c4ccccc34)o2)c([N+](=O)[O-])c1 ZINC000479420954 894733209 /nfs/dbraw/zinc/73/32/09/894733209.db2.gz NBFNGSOCAOGNPS-UHFFFAOYSA-N 1 0 406.442 4.082 20 5 HIBDRO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000481007042 896338862 /nfs/dbraw/zinc/33/88/62/896338862.db2.gz YETWMWQKNRFSII-IIBYNOLFSA-N 1 0 414.506 4.045 20 5 HIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481361816 896741429 /nfs/dbraw/zinc/74/14/29/896741429.db2.gz SISVJDLQCBGKEQ-ZMZPIMSZSA-N 1 0 412.273 4.206 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000481516983 896884442 /nfs/dbraw/zinc/88/44/42/896884442.db2.gz OIXQVUGXDRCVCY-COPCDDAFSA-N 1 0 411.502 4.066 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000481626681 897011332 /nfs/dbraw/zinc/01/13/32/897011332.db2.gz OBYFXEBDYCLLGA-INIZCTEOSA-N 1 0 406.486 4.381 20 5 HIBDRO CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481874352 897247454 /nfs/dbraw/zinc/24/74/54/897247454.db2.gz LTBCTRLHGNNWAQ-LEWJYISDSA-N 1 0 423.513 4.120 20 5 HIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481893022 897269891 /nfs/dbraw/zinc/26/98/91/897269891.db2.gz SHPGTWRCIYFYSB-JTHBVZDNSA-N 1 0 407.514 4.041 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000481983364 897377669 /nfs/dbraw/zinc/37/76/69/897377669.db2.gz KTUJQHXOSGIZJS-AZUAARDMSA-N 1 0 408.502 4.076 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000482048116 897470738 /nfs/dbraw/zinc/47/07/38/897470738.db2.gz NLUSPRCRGRRIDQ-CYBMUJFWSA-N 1 0 406.280 4.345 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000482086720 897527907 /nfs/dbraw/zinc/52/79/07/897527907.db2.gz CFDWIGQQRRGDHU-CQSZACIVSA-N 1 0 420.307 4.136 20 5 HIBDRO O=C(Nc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)c1cccnc1 ZINC000482129929 897587465 /nfs/dbraw/zinc/58/74/65/897587465.db2.gz CMTYBEQTMVLVMY-JOCHJYFZSA-N 1 0 416.481 4.353 20 5 HIBDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496668 898077025 /nfs/dbraw/zinc/07/70/25/898077025.db2.gz RWYKYFOTBCFLJZ-GOEBONIOSA-N 1 0 422.865 4.051 20 5 HIBDRO COc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000482607910 898208789 /nfs/dbraw/zinc/20/87/89/898208789.db2.gz SKFIMVNDFSMVRV-UHFFFAOYSA-N 1 0 408.502 4.436 20 5 HIBDRO C[C@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482709883 898309979 /nfs/dbraw/zinc/30/99/79/898309979.db2.gz UOFSKMJVGTZUHO-DLBZAZTESA-N 1 0 403.548 4.067 20 5 HIBDRO Cc1nc(CN2CCC(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)oc1C ZINC000482889372 898506496 /nfs/dbraw/zinc/50/64/96/898506496.db2.gz LTPOOEQELYHCSV-NRFANRHFSA-N 1 0 412.534 4.023 20 5 HIBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505590010 914296657 /nfs/dbraw/zinc/29/66/57/914296657.db2.gz JNEAKNSAHKKKAY-UHFFFAOYSA-N 1 0 411.399 4.461 20 5 HIBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483591028 899241206 /nfs/dbraw/zinc/24/12/06/899241206.db2.gz XQZZNHIBVQSQQQ-WZONZLPQSA-N 1 0 418.497 4.203 20 5 HIBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483591025 899241322 /nfs/dbraw/zinc/24/13/22/899241322.db2.gz XQZZNHIBVQSQQQ-MBSDFSHPSA-N 1 0 418.497 4.203 20 5 HIBDRO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483740990 899403433 /nfs/dbraw/zinc/40/34/33/899403433.db2.gz IVPDHULRMUNKOE-JKSUJKDBSA-N 1 0 411.531 4.376 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000485162877 900461913 /nfs/dbraw/zinc/46/19/13/900461913.db2.gz SGVIZEYNHIHGRK-FXAWDEMLSA-N 1 0 410.518 4.056 20 5 HIBDRO CC(C)(CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000485280833 900559183 /nfs/dbraw/zinc/55/91/83/900559183.db2.gz COPIOXWYLOZRGG-UHFFFAOYSA-N 1 0 422.529 4.106 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000505805476 914466607 /nfs/dbraw/zinc/46/66/07/914466607.db2.gz RGZQPELFMRNFBC-SFHVURJKSA-N 1 0 405.495 4.269 20 5 HIBDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1F ZINC000485718261 900967338 /nfs/dbraw/zinc/96/73/38/900967338.db2.gz RXPUUYMXPZMIQU-QGZVFWFLSA-N 1 0 413.493 4.440 20 5 HIBDRO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000485881666 901117832 /nfs/dbraw/zinc/11/78/32/901117832.db2.gz GHPLNCHEGDUZGH-DOTOQJQBSA-N 1 0 417.456 4.100 20 5 HIBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486182877 901368365 /nfs/dbraw/zinc/36/83/65/901368365.db2.gz YTXNNBYPRYAAHY-NEPJUHHUSA-N 1 0 418.357 4.049 20 5 HIBDRO CCCCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000486226716 901410598 /nfs/dbraw/zinc/41/05/98/901410598.db2.gz ODYHGCSGPAFDRQ-UHFFFAOYSA-N 1 0 411.493 4.353 20 5 HIBDRO CSc1cccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1[N+](=O)[O-] ZINC000486240913 901423855 /nfs/dbraw/zinc/42/38/55/901423855.db2.gz RNCRSBQNEIULES-UHFFFAOYSA-N 1 0 403.529 4.118 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1SC ZINC000505906927 914548892 /nfs/dbraw/zinc/54/88/92/914548892.db2.gz QHXGOSZKCRGLTC-JKSUJKDBSA-N 1 0 421.563 4.052 20 5 HIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(Cl)c1 ZINC000486446589 901604996 /nfs/dbraw/zinc/60/49/96/901604996.db2.gz OEQMPVDZIXNVDO-FOIQADDNSA-N 1 0 402.882 4.137 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000486615749 901750201 /nfs/dbraw/zinc/75/02/01/901750201.db2.gz PXQBSTXDMNRBAI-HNNXBMFYSA-N 1 0 419.572 4.410 20 5 HIBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486888597 901934421 /nfs/dbraw/zinc/93/44/21/901934421.db2.gz SHCJUJPOKBXGDF-ZBFHGGJFSA-N 1 0 402.882 4.280 20 5 HIBDRO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487185566 902090829 /nfs/dbraw/zinc/09/08/29/902090829.db2.gz MGFGXHMEEWMVJP-KNQAVFIVSA-N 1 0 424.545 4.127 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2cccnc2)cc1 ZINC000487891863 902432693 /nfs/dbraw/zinc/43/26/93/902432693.db2.gz DGYLFAQONYRTMJ-CVEARBPZSA-N 1 0 406.442 4.460 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000487915468 902447394 /nfs/dbraw/zinc/44/73/94/902447394.db2.gz KVDBGIJPMSDSIH-HOTGVXAUSA-N 1 0 406.442 4.460 20 5 HIBDRO CC(C)(NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000488177093 902666481 /nfs/dbraw/zinc/66/64/81/902666481.db2.gz LZZBDDIHLMYBRU-UHFFFAOYSA-N 1 0 410.518 4.315 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000489293091 903314578 /nfs/dbraw/zinc/31/45/78/903314578.db2.gz PWLFLSXHNJIDFO-INIZCTEOSA-N 1 0 414.481 4.067 20 5 HIBDRO CSc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000489436816 903383866 /nfs/dbraw/zinc/38/38/66/903383866.db2.gz XRCFDJXDACNPKK-UHFFFAOYSA-N 1 0 403.529 4.118 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000489845230 903627626 /nfs/dbraw/zinc/62/76/26/903627626.db2.gz WGJPGEWTXNQZBS-UHFFFAOYSA-N 1 0 410.518 4.311 20 5 HIBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489870399 903641681 /nfs/dbraw/zinc/64/16/81/903641681.db2.gz JZFZGEGJNQQPAI-HXUWFJFHSA-N 1 0 412.490 4.089 20 5 HIBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490072267 903759095 /nfs/dbraw/zinc/75/90/95/903759095.db2.gz ARJVVVKLMWRDLP-LJQANCHMSA-N 1 0 405.882 4.205 20 5 HIBDRO C[NH+](C)CCOc1cccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000490135205 903784414 /nfs/dbraw/zinc/78/44/14/903784414.db2.gz FYLZXYIQNAYHAV-DEOSSOPVSA-N 1 0 405.498 4.414 20 5 HIBDRO Cc1cc(CN(Cc2csc([N+](=O)[O-])c2)CC(C)C)nc(N2CCCCC2)n1 ZINC000490998926 904358584 /nfs/dbraw/zinc/35/85/84/904358584.db2.gz RKLDBFSFVROGIX-UHFFFAOYSA-N 1 0 403.552 4.403 20 5 HIBDRO COc1cc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491110666 904433624 /nfs/dbraw/zinc/43/36/24/904433624.db2.gz CTLSQOFFWKROLX-UHFFFAOYSA-N 1 0 422.428 4.333 20 5 HIBDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000491150033 904458675 /nfs/dbraw/zinc/45/86/75/904458675.db2.gz UMNFXPJDZUXVBF-HNNXBMFYSA-N 1 0 422.428 4.245 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc5ccccn54)C3)cs2)c1 ZINC000506127335 914814197 /nfs/dbraw/zinc/81/41/97/914814197.db2.gz ZFEGDCIGWAKFRT-MRXNPFEDSA-N 1 0 420.498 4.141 20 5 HIBDRO CC(C)([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000492192134 904812099 /nfs/dbraw/zinc/81/20/99/904812099.db2.gz DUAVRUJLPHHAGE-UHFFFAOYSA-N 1 0 407.264 4.153 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000493108005 905022651 /nfs/dbraw/zinc/02/26/51/905022651.db2.gz UQBSWDDVXOWJBC-RBUKOAKNSA-N 1 0 402.539 4.262 20 5 HIBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@H]2C1 ZINC000493560478 905163775 /nfs/dbraw/zinc/16/37/75/905163775.db2.gz XCTFUEFPRNWACT-KUHUBIRLSA-N 1 0 415.877 4.207 20 5 HIBDRO COc1cc(C[NH2+]CCc2c[nH]c3c2cccc3C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493670546 905188416 /nfs/dbraw/zinc/18/84/16/905188416.db2.gz SXXDJCKQJUVMHM-UHFFFAOYSA-N 1 0 419.428 4.369 20 5 HIBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc2C1 ZINC000494443419 905729478 /nfs/dbraw/zinc/72/94/78/905729478.db2.gz BGJOZGYMDOGHSR-LJQANCHMSA-N 1 0 407.392 4.197 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494458772 905741330 /nfs/dbraw/zinc/74/13/30/905741330.db2.gz SOUQRHWUKLMWKQ-PXNSSMCTSA-N 1 0 403.866 4.005 20 5 HIBDRO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1NC(C)=O ZINC000494483142 905766470 /nfs/dbraw/zinc/76/64/70/905766470.db2.gz HRCKIXORUMIUQS-LLVKDONJSA-N 1 0 411.380 4.431 20 5 HIBDRO C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)nc2)C1 ZINC000494728060 905926614 /nfs/dbraw/zinc/92/66/14/905926614.db2.gz CJQFZZRZMPFYDU-LADGPHEKSA-N 1 0 417.513 4.332 20 5 HIBDRO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000495063042 906215034 /nfs/dbraw/zinc/21/50/34/906215034.db2.gz WFPQRTDUFNEIHE-SFHVURJKSA-N 1 0 411.502 4.026 20 5 HIBDRO C[C@@H]1C[C@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[N@@H+]1Cc1ccccc1 ZINC000512551199 921230755 /nfs/dbraw/zinc/23/07/55/921230755.db2.gz RWCBPOMMJZWKAO-AEFFLSMTSA-N 1 0 406.486 4.107 20 5 HIBDRO CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952372 907421711 /nfs/dbraw/zinc/42/17/11/907421711.db2.gz OLCQVCKCLUPNPN-FXAWDEMLSA-N 1 0 411.502 4.291 20 5 HIBDRO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149009 907672812 /nfs/dbraw/zinc/67/28/12/907672812.db2.gz AXPZDNAKTZFXGH-NRFANRHFSA-N 1 0 406.467 4.043 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498188402 907722644 /nfs/dbraw/zinc/72/26/44/907722644.db2.gz SAFDJUWZRYJKDQ-UHFFFAOYSA-N 1 0 404.470 4.424 20 5 HIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498279837 907815108 /nfs/dbraw/zinc/81/51/08/907815108.db2.gz SQGJQSUTWQNIPH-UHFFFAOYSA-N 1 0 418.497 4.127 20 5 HIBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512895942 921388995 /nfs/dbraw/zinc/38/89/95/921388995.db2.gz RXZLFNYTXJMCMM-HKUYNNGSSA-N 1 0 406.486 4.210 20 5 HIBDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CCCCC2)cc1 ZINC000512903295 921395270 /nfs/dbraw/zinc/39/52/70/921395270.db2.gz XTAKFUJTQHHIFD-QGZVFWFLSA-N 1 0 411.502 4.422 20 5 HIBDRO COCCn1cc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000500380361 909826739 /nfs/dbraw/zinc/82/67/39/909826739.db2.gz YIEFURKVRPWSJH-UHFFFAOYSA-N 1 0 416.865 4.173 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000500626643 909976428 /nfs/dbraw/zinc/97/64/28/909976428.db2.gz UBLJZEOVUAWCCP-FPOVZHCZSA-N 1 0 424.545 4.079 20 5 HIBDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000513101939 921550209 /nfs/dbraw/zinc/55/02/09/921550209.db2.gz VIRPKSUGDRRJID-HHHXNRCGSA-N 1 0 400.525 4.492 20 5 HIBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000501238691 910396449 /nfs/dbraw/zinc/39/64/49/910396449.db2.gz JHCXNEWDQUSGMM-UHFFFAOYSA-N 1 0 416.547 4.302 20 5 HIBDRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC=Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000501717318 910784867 /nfs/dbraw/zinc/78/48/67/910784867.db2.gz UHFFTQNFYMZLFZ-GSXXRBPTSA-N 1 0 423.517 4.339 20 5 HIBDRO O=C(NCc1ccco1)[C@@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506402253 915017746 /nfs/dbraw/zinc/01/77/46/915017746.db2.gz IRHVNTHLXWNEHI-IBGZPJMESA-N 1 0 411.483 4.197 20 5 HIBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000513395869 921765191 /nfs/dbraw/zinc/76/51/91/921765191.db2.gz AYMSDTJDSLRNKR-LJQANCHMSA-N 1 0 423.469 4.344 20 5 HIBDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000506706809 915382995 /nfs/dbraw/zinc/38/29/95/915382995.db2.gz IBYHVAKWDKPIMX-NRFANRHFSA-N 1 0 422.485 4.350 20 5 HIBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507182304 915929161 /nfs/dbraw/zinc/92/91/61/915929161.db2.gz UKDRKKHTRFODOV-MRXNPFEDSA-N 1 0 408.458 4.141 20 5 HIBDRO C[C@@H]1CSC[C@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507259864 916020946 /nfs/dbraw/zinc/02/09/46/916020946.db2.gz BXZFMQMGLJYYEF-NXOUGTEYSA-N 1 0 405.907 4.269 20 5 HIBDRO CNC(=O)C1CCC([NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000507915962 916796471 /nfs/dbraw/zinc/79/64/71/916796471.db2.gz WSROWXQACQGOIY-UHFFFAOYSA-N 1 0 413.543 4.449 20 5 HIBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000507929239 916803290 /nfs/dbraw/zinc/80/32/90/916803290.db2.gz HMKTUJPIBVHRBV-KGLIPLIRSA-N 1 0 405.882 4.433 20 5 HIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1 ZINC000507934810 916806539 /nfs/dbraw/zinc/80/65/39/916806539.db2.gz GVSCEQGYEYKAON-UHFFFAOYSA-N 1 0 401.207 4.291 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+](C)C ZINC000508858036 917611766 /nfs/dbraw/zinc/61/17/66/917611766.db2.gz XSPWTGMEWIGYRG-HTAPYJJXSA-N 1 0 410.518 4.269 20 5 HIBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000509325910 917997795 /nfs/dbraw/zinc/99/77/95/917997795.db2.gz DTTXDXAEJONSKE-UHFFFAOYSA-N 1 0 411.527 4.446 20 5 HIBDRO C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510800369 919269838 /nfs/dbraw/zinc/26/98/38/919269838.db2.gz QEAYRMDUZUYWRU-GOEBONIOSA-N 1 0 414.531 4.101 20 5 HIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510835304 919316299 /nfs/dbraw/zinc/31/62/99/919316299.db2.gz DTRUHLCNAHEMPK-QGZVFWFLSA-N 1 0 420.416 4.155 20 5 HIBDRO C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510923341 919439279 /nfs/dbraw/zinc/43/92/79/919439279.db2.gz RRVRFQXHGLEOQD-GOEBONIOSA-N 1 0 414.531 4.101 20 5 HIBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000510931428 919452817 /nfs/dbraw/zinc/45/28/17/919452817.db2.gz SDVPCRYLPXQJOH-QMMLZNLJSA-N 1 0 408.502 4.202 20 5 HIBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000511103628 919709955 /nfs/dbraw/zinc/70/99/55/919709955.db2.gz CXGAEHNNKWURCF-OAHLLOKOSA-N 1 0 407.392 4.092 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511233760 919837837 /nfs/dbraw/zinc/83/78/37/919837837.db2.gz MYQPRZAJKYBAMC-HKUYNNGSSA-N 1 0 402.539 4.168 20 5 HIBDRO O=C(NC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1)c1ccsc1 ZINC000511752041 920430314 /nfs/dbraw/zinc/43/03/14/920430314.db2.gz CGUJKILPQJMDIR-UHFFFAOYSA-N 1 0 411.483 4.311 20 5 HIBDRO COc1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512354892 921099710 /nfs/dbraw/zinc/09/97/10/921099710.db2.gz MNNCYJOCTLOEAE-UHFFFAOYSA-N 1 0 422.485 4.216 20 5 HIBDRO CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513472749 921831486 /nfs/dbraw/zinc/83/14/86/921831486.db2.gz LKYNCRMKCDBZQN-QHCPKHFHSA-N 1 0 417.513 4.116 20 5 HIBDRO CCC1(CNC(=O)NCc2ccccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000513986113 922306443 /nfs/dbraw/zinc/30/64/43/922306443.db2.gz WNMPDYWELMECTP-UHFFFAOYSA-N 1 0 410.518 4.086 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514070485 922392978 /nfs/dbraw/zinc/39/29/78/922392978.db2.gz WTFXSGQVOJXHOR-WWPVKYPJSA-N 1 0 424.497 4.230 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514070484 922393705 /nfs/dbraw/zinc/39/37/05/922393705.db2.gz WTFXSGQVOJXHOR-UEVCKROQSA-N 1 0 424.497 4.230 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514075280 922399128 /nfs/dbraw/zinc/39/91/28/922399128.db2.gz CMYDTLHURLGADH-WWPVKYPJSA-N 1 0 424.497 4.230 20 5 HIBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000514635047 922737010 /nfs/dbraw/zinc/73/70/10/922737010.db2.gz QMLNUPYSLYCIOY-KRWDZBQOSA-N 1 0 415.465 4.264 20 5 HIBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000514817513 922812464 /nfs/dbraw/zinc/81/24/64/922812464.db2.gz HTRAONNQFRDIBY-IBGZPJMESA-N 1 0 420.460 4.078 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000515565463 923183283 /nfs/dbraw/zinc/18/32/83/923183283.db2.gz LKLJGNLSPYTLRL-QFIPXVFZSA-N 1 0 423.513 4.476 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000515904401 923423523 /nfs/dbraw/zinc/42/35/23/923423523.db2.gz BAWQFYQEURWLCM-INIZCTEOSA-N 1 0 404.536 4.271 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000515904405 923423650 /nfs/dbraw/zinc/42/36/50/923423650.db2.gz BAWQFYQEURWLCM-MRXNPFEDSA-N 1 0 404.536 4.271 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc2[N+](=O)[O-])n1 ZINC000517084955 923988622 /nfs/dbraw/zinc/98/86/22/923988622.db2.gz TWIJLDSYPSFXOO-UHFFFAOYSA-N 1 0 422.576 4.171 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000517551145 924261326 /nfs/dbraw/zinc/26/13/26/924261326.db2.gz AGLRLCXPPLMKGX-LPHOPBHVSA-N 1 0 400.475 4.230 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCN(Cc4ccncc4)CC3)s2)cc1 ZINC000518272890 927130725 /nfs/dbraw/zinc/13/07/25/927130725.db2.gz QIEYDYVKTBNRJV-UHFFFAOYSA-N 1 0 408.527 4.473 20 5 HIBDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000518284965 927144053 /nfs/dbraw/zinc/14/40/53/927144053.db2.gz DSULIOADBCSKHK-UHFFFAOYSA-N 1 0 403.548 4.302 20 5 HIBDRO CCC(CC)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000518399799 927240278 /nfs/dbraw/zinc/24/02/78/927240278.db2.gz MNIZOGJRDFBBEK-MRXNPFEDSA-N 1 0 419.547 4.320 20 5 HIBDRO CCOC(=O)C1CCC([N@H+](CC)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000518403246 927244365 /nfs/dbraw/zinc/24/43/65/927244365.db2.gz DBILYQSKSYHKHZ-UHFFFAOYSA-N 1 0 400.422 4.140 20 5 HIBDRO COC1CC[NH+](C2(CNc3ccc(Br)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000518593850 927369107 /nfs/dbraw/zinc/36/91/07/927369107.db2.gz BGOFGHXFIJKUOS-UHFFFAOYSA-N 1 0 412.328 4.193 20 5 HIBDRO Cc1ccc([C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)N2CCCC2)cc1 ZINC000520203089 928386536 /nfs/dbraw/zinc/38/65/36/928386536.db2.gz GTPOXXBYLJLKED-IBGZPJMESA-N 1 0 405.445 4.431 20 5 HIBDRO O=C1CCC(C[NH+]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CC1 ZINC000520211829 928390987 /nfs/dbraw/zinc/39/09/87/928390987.db2.gz VHIWHLUSNQQALU-UHFFFAOYSA-N 1 0 413.543 4.200 20 5 HIBDRO CC[N@H+](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000520963698 928892177 /nfs/dbraw/zinc/89/21/77/928892177.db2.gz ZGRCYZFNODKSIZ-UHFFFAOYSA-N 1 0 408.296 4.191 20 5 HIBDRO COC1CCN(C2(C[NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCCC2)CC1 ZINC000520973012 928897093 /nfs/dbraw/zinc/89/70/93/928897093.db2.gz AFMRTJSHBKFUTF-UHFFFAOYSA-N 1 0 413.518 4.368 20 5 HIBDRO O=C(NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(F)c1 ZINC000521378702 929195338 /nfs/dbraw/zinc/19/53/38/929195338.db2.gz SFVKWEQNYYEINU-UHFFFAOYSA-N 1 0 413.474 4.372 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000521453546 929228332 /nfs/dbraw/zinc/22/83/32/929228332.db2.gz LKTMAHGJQWZOEJ-UHFFFAOYSA-N 1 0 412.490 4.157 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000521819454 929477892 /nfs/dbraw/zinc/47/78/92/929477892.db2.gz JGNAXNBSTHMNLU-MRXNPFEDSA-N 1 0 416.485 4.340 20 5 HIBDRO COc1cc(OC)c(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000521844352 929495574 /nfs/dbraw/zinc/49/55/74/929495574.db2.gz ZIHNBYYJVAXELN-UHFFFAOYSA-N 1 0 412.442 4.213 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000524946890 929908777 /nfs/dbraw/zinc/90/87/77/929908777.db2.gz HKGOOBPWEIXNEN-KOSHJBKYSA-N 1 0 421.497 4.234 20 5 HIBDRO CC[NH+]1CCC(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000525245424 930103043 /nfs/dbraw/zinc/10/30/43/930103043.db2.gz DYOUTZMLMKOKJG-HXUWFJFHSA-N 1 0 416.909 4.002 20 5 HIBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000525292826 930136668 /nfs/dbraw/zinc/13/66/68/930136668.db2.gz IGIJBQIAWHQUHP-AWEZNQCLSA-N 1 0 419.934 4.471 20 5 HIBDRO COC1CC[NH+](C2(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CCCC2)CC1 ZINC000530856027 930841450 /nfs/dbraw/zinc/84/14/50/930841450.db2.gz VMVFKMMVUGPTDY-UHFFFAOYSA-N 1 0 401.429 4.449 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] ZINC000530966386 930871087 /nfs/dbraw/zinc/87/10/87/930871087.db2.gz GVLPQFXKNJQXIO-OLZOCXBDSA-N 1 0 406.280 4.344 20 5 HIBDRO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531065048 930903538 /nfs/dbraw/zinc/90/35/38/930903538.db2.gz AZNGDYAUOITIRK-QHCPKHFHSA-N 1 0 423.513 4.019 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)C2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531884936 931234171 /nfs/dbraw/zinc/23/41/71/931234171.db2.gz KOQMDWWGUKOKPP-INIZCTEOSA-N 1 0 400.475 4.087 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000531916659 931245359 /nfs/dbraw/zinc/24/53/59/931245359.db2.gz ITYYIJUQTONSBE-UHFFFAOYSA-N 1 0 419.407 4.411 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000531931434 931250505 /nfs/dbraw/zinc/25/05/05/931250505.db2.gz BWNAFBXDAYYFTC-HZPDHXFCSA-N 1 0 405.520 4.037 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532203026 931348161 /nfs/dbraw/zinc/34/81/61/931348161.db2.gz BQEVBVVPTRGSJI-IAGOWNOFSA-N 1 0 419.547 4.346 20 5 HIBDRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000532208990 931352378 /nfs/dbraw/zinc/35/23/78/931352378.db2.gz JWBLYMBGKVSUNN-KRWDZBQOSA-N 1 0 411.502 4.257 20 5 HIBDRO CCC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCc2sccc2C1 ZINC000532221816 931360722 /nfs/dbraw/zinc/36/07/22/931360722.db2.gz KLNCCOVIIFUGGP-DNVCBOLYSA-N 1 0 401.532 4.369 20 5 HIBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532238200 931366389 /nfs/dbraw/zinc/36/63/89/931366389.db2.gz UDXHCSORTAJOGV-JPYJTQIMSA-N 1 0 418.497 4.203 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000532373776 931414337 /nfs/dbraw/zinc/41/43/37/931414337.db2.gz FAKDZTSDMWGZJC-ZLNRFVROSA-N 1 0 418.497 4.495 20 5 HIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000532688882 931585315 /nfs/dbraw/zinc/58/53/15/931585315.db2.gz FKUXUKYCGYVPCB-MRXNPFEDSA-N 1 0 412.421 4.042 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000532904133 931686815 /nfs/dbraw/zinc/68/68/15/931686815.db2.gz FDFQYGUUKDCVTN-MRXNPFEDSA-N 1 0 424.482 4.340 20 5 HIBDRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000533064076 931759758 /nfs/dbraw/zinc/75/97/58/931759758.db2.gz UZRPZHLZKNQARO-UHFFFAOYSA-N 1 0 424.284 4.136 20 5 HIBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccc(C(F)(F)F)c1 ZINC000533250952 931818984 /nfs/dbraw/zinc/81/89/84/931818984.db2.gz JJWJRBCKVGCWON-UHFFFAOYSA-N 1 0 409.364 4.044 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000533347544 931844331 /nfs/dbraw/zinc/84/43/31/931844331.db2.gz MXTQZVIDMLROLZ-PZJWPPBQSA-N 1 0 424.545 4.217 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000533421053 931863323 /nfs/dbraw/zinc/86/33/23/931863323.db2.gz KJQOBKANYYHQTB-QGZVFWFLSA-N 1 0 421.501 4.302 20 5 HIBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000533438370 931869558 /nfs/dbraw/zinc/86/95/58/931869558.db2.gz DXRRXAJLZPUDBZ-VFNWGFHPSA-N 1 0 411.433 4.393 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513692 931890784 /nfs/dbraw/zinc/89/07/84/931890784.db2.gz OQQJCZHVGFVURT-RNODOKPDSA-N 1 0 401.438 4.201 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000533917935 932098054 /nfs/dbraw/zinc/09/80/54/932098054.db2.gz MLJITYMINWBMPT-QGZVFWFLSA-N 1 0 420.513 4.167 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000534093324 932272866 /nfs/dbraw/zinc/27/28/66/932272866.db2.gz JZUGZRXGGPKXBQ-FYYLOGMGSA-N 1 0 404.470 4.105 20 5 HIBDRO Cc1c(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962370 932862499 /nfs/dbraw/zinc/86/24/99/932862499.db2.gz CTYJOCOAZCGKKT-KKSFZXQISA-N 1 0 419.884 4.047 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[N@@H+]1Cc1ccccc1 ZINC000534995801 932880712 /nfs/dbraw/zinc/88/07/12/932880712.db2.gz DGQOJPKQCKSIJD-WMZOPIPTSA-N 1 0 406.486 4.107 20 5 HIBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000535273515 933045134 /nfs/dbraw/zinc/04/51/34/933045134.db2.gz ZBBXTYXHTKAHIN-FQEVSTJZSA-N 1 0 420.897 4.118 20 5 HIBDRO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000535432247 933131706 /nfs/dbraw/zinc/13/17/06/933131706.db2.gz OBYPSRFXBVZWTG-GCJKJVERSA-N 1 0 410.518 4.004 20 5 HIBDRO CC[NH+](CC)CCn1c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)nc2ccccc21 ZINC000535672569 933319986 /nfs/dbraw/zinc/31/99/86/933319986.db2.gz VDIFDFJIBWLZGS-UHFFFAOYSA-N 1 0 420.473 4.020 20 5 HIBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000535717385 933366862 /nfs/dbraw/zinc/36/68/62/933366862.db2.gz WBQKYINREZIUCD-UHFFFAOYSA-N 1 0 424.545 4.399 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)o2)c(Cl)c1 ZINC000535809126 933404488 /nfs/dbraw/zinc/40/44/88/933404488.db2.gz HQONBLRUHMZPNU-CQSZACIVSA-N 1 0 401.854 4.012 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1SC ZINC000537700760 938359179 /nfs/dbraw/zinc/35/91/79/938359179.db2.gz GPYJWBGUNKKRSI-UHFFFAOYSA-N 1 0 415.515 4.216 20 5 HIBDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000537990889 938452396 /nfs/dbraw/zinc/45/23/96/938452396.db2.gz NBHIVMNCLVEEKG-OAHLLOKOSA-N 1 0 400.479 4.328 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000538001504 938458071 /nfs/dbraw/zinc/45/80/71/938458071.db2.gz ALULUFBQZIALEC-MRXNPFEDSA-N 1 0 422.485 4.316 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000538125869 938511495 /nfs/dbraw/zinc/51/14/95/938511495.db2.gz TZBSKNMSPTVMBQ-OAHLLOKOSA-N 1 0 401.463 4.070 20 5 HIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(C)cc1 ZINC000538156121 938526601 /nfs/dbraw/zinc/52/66/01/938526601.db2.gz UKNJGKMTIFHJLS-INIZCTEOSA-N 1 0 406.280 4.345 20 5 HIBDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000538168631 938533726 /nfs/dbraw/zinc/53/37/26/938533726.db2.gz OVOMNZVYABTCIH-LBPRGKRZSA-N 1 0 422.279 4.045 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccc(OCC(C)C)cc1 ZINC000538216501 938559917 /nfs/dbraw/zinc/55/99/17/938559917.db2.gz DWHVNWSEYHYWGZ-UHFFFAOYSA-N 1 0 415.490 4.102 20 5 HIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538216793 938560162 /nfs/dbraw/zinc/56/01/62/938560162.db2.gz CCTHCKWGDHOANL-CYBMUJFWSA-N 1 0 406.280 4.263 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000538218836 938561608 /nfs/dbraw/zinc/56/16/08/938561608.db2.gz KTSUUXZWWNLJHI-JOCHJYFZSA-N 1 0 405.454 4.252 20 5 HIBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccccc1 ZINC000538233795 938567977 /nfs/dbraw/zinc/56/79/77/938567977.db2.gz QEGDKIKULCLMRS-GOSISDBHSA-N 1 0 419.481 4.487 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)COc3ccccc3)o2)c(Cl)c1 ZINC000538311812 938590066 /nfs/dbraw/zinc/59/00/66/938590066.db2.gz OOHHMWKKVHHXDN-OAHLLOKOSA-N 1 0 402.834 4.038 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000538741747 938698815 /nfs/dbraw/zinc/69/88/15/938698815.db2.gz DOYDVLUFDKRTBQ-SEJPIABJSA-N 1 0 407.514 4.445 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538791583 938712727 /nfs/dbraw/zinc/71/27/27/938712727.db2.gz FDYLUPSISYEXDO-FPOVZHCZSA-N 1 0 412.486 4.183 20 5 HIBDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539037252 938776361 /nfs/dbraw/zinc/77/63/61/938776361.db2.gz IORMRMOJTWJQBJ-ZDUSSCGKSA-N 1 0 400.504 4.479 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539091572 938801430 /nfs/dbraw/zinc/80/14/30/938801430.db2.gz WWXXSVNFGOMWET-JKSBSHDWSA-N 1 0 411.502 4.085 20 5 HIBDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)cs1 ZINC000539252785 938826732 /nfs/dbraw/zinc/82/67/32/938826732.db2.gz IQQLQLDHHYFDPE-CQSZACIVSA-N 1 0 422.510 4.267 20 5 HIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539255344 938827836 /nfs/dbraw/zinc/82/78/36/938827836.db2.gz JQMSNRWPMLOZBV-IUODEOHRSA-N 1 0 423.416 4.273 20 5 HIBDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000539282106 938833065 /nfs/dbraw/zinc/83/30/65/938833065.db2.gz VVMRGERTKKJPFT-AUUYWEPGSA-N 1 0 413.499 4.117 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000539314307 938839615 /nfs/dbraw/zinc/83/96/15/938839615.db2.gz KBQSCJSDSJVEAD-NRFANRHFSA-N 1 0 401.438 4.202 20 5 HIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000539689380 938902207 /nfs/dbraw/zinc/90/22/07/938902207.db2.gz JIKLBILLBPSWQO-MRXNPFEDSA-N 1 0 417.469 4.339 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)o2)c1 ZINC000539825944 938947063 /nfs/dbraw/zinc/94/70/63/938947063.db2.gz YWQYJKDDFRNAEW-NRFANRHFSA-N 1 0 400.475 4.405 20 5 HIBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000539862372 938960283 /nfs/dbraw/zinc/96/02/83/938960283.db2.gz HXXROVVYVZLQDB-ZDUSSCGKSA-N 1 0 409.280 4.476 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1OC ZINC000539897196 938971261 /nfs/dbraw/zinc/97/12/61/938971261.db2.gz ZWXWOKATBFGTRT-CYBMUJFWSA-N 1 0 415.421 4.272 20 5 HIBDRO Cc1cc(C(C)(C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1Br ZINC000563573739 945221659 /nfs/dbraw/zinc/22/16/59/945221659.db2.gz SBZZHVNYRLCUDT-UHFFFAOYSA-N 1 0 420.307 4.438 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000540014316 939039913 /nfs/dbraw/zinc/03/99/13/939039913.db2.gz WQCACAKUKOMYMR-QGZVFWFLSA-N 1 0 402.539 4.199 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000540149499 939091851 /nfs/dbraw/zinc/09/18/51/939091851.db2.gz UVSNRPAIIIAIIY-RTBURBONSA-N 1 0 413.543 4.104 20 5 HIBDRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540181304 939108306 /nfs/dbraw/zinc/10/83/06/939108306.db2.gz FGYVEQWNLLZKJH-NFOMZHRRSA-N 1 0 408.545 4.330 20 5 HIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(SCC)cc2)c([N+](=O)[O-])c1 ZINC000540404995 939236403 /nfs/dbraw/zinc/23/64/03/939236403.db2.gz VHQRIIDVOMFTHW-AWEZNQCLSA-N 1 0 403.504 4.395 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000540424585 939243657 /nfs/dbraw/zinc/24/36/57/939243657.db2.gz SGMRKARMGRAAFT-UONOGXRCSA-N 1 0 401.438 4.201 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCNc3ccccn3)o2)c(Br)c1 ZINC000540809271 939379718 /nfs/dbraw/zinc/37/97/18/939379718.db2.gz ZBQZTTGPVYYKIX-UHFFFAOYSA-N 1 0 417.263 4.214 20 5 HIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000540837166 939390049 /nfs/dbraw/zinc/39/00/49/939390049.db2.gz BUWHKZBZGJYLIC-UHFFFAOYSA-N 1 0 410.392 4.063 20 5 HIBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540961967 939421028 /nfs/dbraw/zinc/42/10/28/939421028.db2.gz LVNSLRTXDRDOIP-STQMWFEESA-N 1 0 409.280 4.210 20 5 HIBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540961964 939421082 /nfs/dbraw/zinc/42/10/82/939421082.db2.gz LVNSLRTXDRDOIP-CHWSQXEVSA-N 1 0 409.280 4.210 20 5 HIBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000540982699 939424827 /nfs/dbraw/zinc/42/48/27/939424827.db2.gz FIJIBQWUZGTZPC-CYBMUJFWSA-N 1 0 408.296 4.001 20 5 HIBDRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541282020 939489164 /nfs/dbraw/zinc/48/91/64/939489164.db2.gz SIWMTKHYGBBTNN-SFHVURJKSA-N 1 0 409.486 4.004 20 5 HIBDRO C[N@@H+]1CC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541576027 939559202 /nfs/dbraw/zinc/55/92/02/939559202.db2.gz QPFZJMPHAFNFPL-YJYMSZOUSA-N 1 0 415.856 4.435 20 5 HIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000541627857 939574961 /nfs/dbraw/zinc/57/49/61/939574961.db2.gz DDHOBMLKTSCQKQ-NSHDSACASA-N 1 0 416.425 4.448 20 5 HIBDRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1F ZINC000541629769 939575774 /nfs/dbraw/zinc/57/57/74/939575774.db2.gz YUWZIBFNKDAIIS-CKFHNAJUSA-N 1 0 405.495 4.098 20 5 HIBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[N@@H+]1C1CC1 ZINC000541724941 939614553 /nfs/dbraw/zinc/61/45/53/939614553.db2.gz NPPQTVGDOMZHTI-GDBMZVCRSA-N 1 0 403.548 4.232 20 5 HIBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541785247 939629575 /nfs/dbraw/zinc/62/95/75/939629575.db2.gz JXHCQJWTRUUAFR-KZULUSFZSA-N 1 0 424.835 4.341 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541786290 939629709 /nfs/dbraw/zinc/62/97/09/939629709.db2.gz KBSXRYCYQWZECZ-HUUCEWRRSA-N 1 0 400.454 4.012 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H](CO)c3ccc(C(F)(F)F)cc3)o2)c1 ZINC000541952842 939660894 /nfs/dbraw/zinc/66/08/94/939660894.db2.gz VXYCHSJEWCCWKA-KRWDZBQOSA-N 1 0 421.375 4.134 20 5 HIBDRO COc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542031626 939693351 /nfs/dbraw/zinc/69/33/51/939693351.db2.gz FHFYQBSKEBIKAE-ICSRJNTNSA-N 1 0 424.501 4.122 20 5 HIBDRO CCc1ccc([C@H]([NH2+]CCc2cccc(C(=O)NC)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542471423 939828477 /nfs/dbraw/zinc/82/84/77/939828477.db2.gz BPXHAJCNSQZCNA-JOCHJYFZSA-N 1 0 407.470 4.032 20 5 HIBDRO CCc1ccc([C@H](NCC2([NH+]3CCCC3)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542474589 939829089 /nfs/dbraw/zinc/82/90/89/939829089.db2.gz KDUWWISJKXJJSB-JOCHJYFZSA-N 1 0 413.518 4.074 20 5 HIBDRO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542531295 939838600 /nfs/dbraw/zinc/83/86/00/939838600.db2.gz IPVINXCEYFMVPL-HNNXBMFYSA-N 1 0 417.506 4.067 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542633912 939850599 /nfs/dbraw/zinc/85/05/99/939850599.db2.gz ULLXFAPYZDLZNO-GHTZIAJQSA-N 1 0 415.465 4.223 20 5 HIBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000542639943 939851076 /nfs/dbraw/zinc/85/10/76/939851076.db2.gz MISMRFPHUNINRA-INIZCTEOSA-N 1 0 414.481 4.007 20 5 HIBDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000542678777 939853545 /nfs/dbraw/zinc/85/35/45/939853545.db2.gz HWUALRJGJMHDPG-HXUWFJFHSA-N 1 0 402.472 4.102 20 5 HIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000542918025 939877444 /nfs/dbraw/zinc/87/74/44/939877444.db2.gz VBPVRRQOIXUOPO-FUHWJXTLSA-N 1 0 406.523 4.277 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000542968666 939888043 /nfs/dbraw/zinc/88/80/43/939888043.db2.gz VWDYQEQUXMVIOS-UHFFFAOYSA-N 1 0 404.555 4.071 20 5 HIBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000543489371 940081579 /nfs/dbraw/zinc/08/15/79/940081579.db2.gz BTGBMZJTBITWKR-KGLIPLIRSA-N 1 0 409.408 4.358 20 5 HIBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560271 940108957 /nfs/dbraw/zinc/10/89/57/940108957.db2.gz ZRBRHENBKUAAMQ-IEBWSBKVSA-N 1 0 412.421 4.136 20 5 HIBDRO Cn1cc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000543636159 940144125 /nfs/dbraw/zinc/14/41/25/940144125.db2.gz WAWJAZXDCITIML-VXKWHMMOSA-N 1 0 424.476 4.487 20 5 HIBDRO COc1cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000544167714 940342323 /nfs/dbraw/zinc/34/23/23/940342323.db2.gz OPMKVLVTWBLCOR-ZWKOTPCHSA-N 1 0 414.502 4.477 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000544369420 940403679 /nfs/dbraw/zinc/40/36/79/940403679.db2.gz SQESYRFUQLXTHF-GFCCVEGCSA-N 1 0 411.380 4.129 20 5 HIBDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544443306 940433404 /nfs/dbraw/zinc/43/34/04/940433404.db2.gz GEHZZKMAIQFPGU-CQSZACIVSA-N 1 0 407.873 4.081 20 5 HIBDRO Cc1sc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)nc1-c1ccc(Cl)cc1 ZINC000544469443 940444352 /nfs/dbraw/zinc/44/43/52/940444352.db2.gz NZNMPNFPLPQFRH-LBPRGKRZSA-N 1 0 418.906 4.193 20 5 HIBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544490438 940455313 /nfs/dbraw/zinc/45/53/13/940455313.db2.gz JRIOAGZRFXCKQD-RDTXWAMCSA-N 1 0 413.499 4.117 20 5 HIBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000544560643 940479210 /nfs/dbraw/zinc/47/92/10/940479210.db2.gz IHJWVTCTPREOIB-SFHVURJKSA-N 1 0 403.548 4.186 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000545165537 940553113 /nfs/dbraw/zinc/55/31/13/940553113.db2.gz KFKGFBFTTIGQEL-UHFFFAOYSA-N 1 0 413.493 4.101 20 5 HIBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000545352912 940564083 /nfs/dbraw/zinc/56/40/83/940564083.db2.gz LIGKZINJMODRDE-YLJYHZDGSA-N 1 0 406.866 4.324 20 5 HIBDRO O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)cn2)cc1 ZINC000545527532 940573258 /nfs/dbraw/zinc/57/32/58/940573258.db2.gz NMGBJUJJDGUJLP-UHFFFAOYSA-N 1 0 416.441 4.093 20 5 HIBDRO CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545560065 940574670 /nfs/dbraw/zinc/57/46/70/940574670.db2.gz RCSVXVXGGSBKHE-HSZRJFAPSA-N 1 0 419.529 4.092 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1-c1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000545595749 940576506 /nfs/dbraw/zinc/57/65/06/940576506.db2.gz HHHLJGALIINRMX-UHFFFAOYSA-N 1 0 410.474 4.265 20 5 HIBDRO C[NH+](C)CCOc1ccccc1-c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000545790243 940594999 /nfs/dbraw/zinc/59/49/99/940594999.db2.gz HOLWMMHIYCSFAN-UHFFFAOYSA-N 1 0 410.455 4.467 20 5 HIBDRO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000545827888 940618521 /nfs/dbraw/zinc/61/85/21/940618521.db2.gz NCGKDXUPIUUTGL-UHFFFAOYSA-N 1 0 413.493 4.135 20 5 HIBDRO CN(Cc1nc(-c2ccccc2C[NH+]2CCCCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000546407443 940812787 /nfs/dbraw/zinc/81/27/87/940812787.db2.gz MLBHQYNLIDTOFA-UHFFFAOYSA-N 1 0 407.474 4.267 20 5 HIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546930528 940916818 /nfs/dbraw/zinc/91/68/18/940916818.db2.gz JPIFPQHHNYFLAI-JOCHJYFZSA-N 1 0 420.513 4.389 20 5 HIBDRO C[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000548757102 941122875 /nfs/dbraw/zinc/12/28/75/941122875.db2.gz ARQYKAMYKFAAOX-KRWDZBQOSA-N 1 0 410.518 4.115 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000548956723 941133825 /nfs/dbraw/zinc/13/38/25/941133825.db2.gz FRTYUFBIUDZTAK-QGZVFWFLSA-N 1 0 411.502 4.298 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000549078787 941153745 /nfs/dbraw/zinc/15/37/45/941153745.db2.gz JCYCKEBJPPEBGR-PKOBYXMFSA-N 1 0 410.392 4.094 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000549298932 941178093 /nfs/dbraw/zinc/17/80/93/941178093.db2.gz DLROCKNTEKQFQS-HKUYNNGSSA-N 1 0 411.502 4.119 20 5 HIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000549798052 941207654 /nfs/dbraw/zinc/20/76/54/941207654.db2.gz SJUJHEVBSIOJOX-UHFFFAOYSA-N 1 0 402.466 4.403 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000549859618 941218651 /nfs/dbraw/zinc/21/86/51/941218651.db2.gz VQTQDYLNOLJBIO-HNNXBMFYSA-N 1 0 409.442 4.134 20 5 HIBDRO COc1ccc(C[C@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])c2ccccc2)cc1OC ZINC000549928254 941240400 /nfs/dbraw/zinc/24/04/00/941240400.db2.gz LNYIVHMSFBPEOZ-FQEVSTJZSA-N 1 0 408.454 4.391 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000550676576 941352693 /nfs/dbraw/zinc/35/26/93/941352693.db2.gz KNZKNMYWUKFFLM-UHFFFAOYSA-N 1 0 424.339 4.193 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000552057624 941575930 /nfs/dbraw/zinc/57/59/30/941575930.db2.gz ALNQKGCWZGLPBT-BVYCBKJFSA-N 1 0 411.502 4.173 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552085100 941581835 /nfs/dbraw/zinc/58/18/35/941581835.db2.gz PGTCFKWFCOPJNR-JOCHJYFZSA-N 1 0 412.486 4.062 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC000552134242 941591156 /nfs/dbraw/zinc/59/11/56/941591156.db2.gz BYTKFRRANUPIQN-AWEZNQCLSA-N 1 0 407.923 4.212 20 5 HIBDRO Cc1cc(OC[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Cl ZINC000552214966 941605584 /nfs/dbraw/zinc/60/55/84/941605584.db2.gz ZDKZXZSBRAHCCU-SFHVURJKSA-N 1 0 406.910 4.252 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000552248611 941613587 /nfs/dbraw/zinc/61/35/87/941613587.db2.gz MVBGPZINFOMBHQ-JOCHJYFZSA-N 1 0 407.518 4.048 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000552270995 941619131 /nfs/dbraw/zinc/61/91/31/941619131.db2.gz MYYZAQLKPRLUOA-KAGYGMCKSA-N 1 0 411.502 4.173 20 5 HIBDRO C[NH+]1CCC(Oc2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)CC1 ZINC000553253832 941857157 /nfs/dbraw/zinc/85/71/57/941857157.db2.gz DKXFNNLIPLRFEO-UHFFFAOYSA-N 1 0 407.417 4.281 20 5 HIBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000553867399 941987479 /nfs/dbraw/zinc/98/74/79/941987479.db2.gz PCRPYZBVWRQBSN-QGZVFWFLSA-N 1 0 409.486 4.334 20 5 HIBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000554070265 942028944 /nfs/dbraw/zinc/02/89/44/942028944.db2.gz ODPVXLNLUJEVFO-QZTJIDSGSA-N 1 0 409.408 4.043 20 5 HIBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000554633961 942181217 /nfs/dbraw/zinc/18/12/17/942181217.db2.gz IFOWTKFANQKZEU-BTYIYWSLSA-N 1 0 403.482 4.134 20 5 HIBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000554927326 942322264 /nfs/dbraw/zinc/32/22/64/942322264.db2.gz DSIGHMSRFOBFDN-UHFFFAOYSA-N 1 0 405.458 4.223 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000555010405 942354410 /nfs/dbraw/zinc/35/44/10/942354410.db2.gz ARRZXOVRKNDNJR-KNQAVFIVSA-N 1 0 423.513 4.120 20 5 HIBDRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555683912 942700299 /nfs/dbraw/zinc/70/02/99/942700299.db2.gz LEDHRTGWGDYTRS-SFHVURJKSA-N 1 0 410.518 4.387 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)s1 ZINC000556827871 942936363 /nfs/dbraw/zinc/93/63/63/942936363.db2.gz OXFXAFXFDYJWIP-HNNXBMFYSA-N 1 0 412.515 4.040 20 5 HIBDRO C[N@@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000557624002 943236115 /nfs/dbraw/zinc/23/61/15/943236115.db2.gz ALCPJCCAEZDMAL-BDJLRTHQSA-N 1 0 421.885 4.497 20 5 HIBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000557815337 943301699 /nfs/dbraw/zinc/30/16/99/943301699.db2.gz PLYIVPQCAHGIBK-UHFFFAOYSA-N 1 0 419.485 4.409 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000557883569 943319852 /nfs/dbraw/zinc/31/98/52/943319852.db2.gz CCBVBGHCHBGHGQ-QFIPXVFZSA-N 1 0 405.454 4.252 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000558184175 943417618 /nfs/dbraw/zinc/41/76/18/943417618.db2.gz QFJBENFCKRGIPC-GFCCVEGCSA-N 1 0 424.270 4.484 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000558302918 943493950 /nfs/dbraw/zinc/49/39/50/943493950.db2.gz KVSFJPZPEHAHNY-UHFFFAOYSA-N 1 0 423.513 4.122 20 5 HIBDRO CCc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)s1 ZINC000558491153 943574942 /nfs/dbraw/zinc/57/49/42/943574942.db2.gz YGVHYNJNKKFBSO-UHFFFAOYSA-N 1 0 402.257 4.113 20 5 HIBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(OCc2cccnc2)c1 ZINC000559072545 943825915 /nfs/dbraw/zinc/82/59/15/943825915.db2.gz LFYKJEJEQSGGJX-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO 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 943854922 /nfs/dbraw/zinc/85/49/22/943854922.db2.gz GAKJMDMMVAYUER-BETUJISGSA-N 1 0 401.429 4.100 20 5 HIBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)cc1[N+](=O)[O-] ZINC000559606322 944015544 /nfs/dbraw/zinc/01/55/44/944015544.db2.gz PUYFBDDAIBUWDO-INIZCTEOSA-N 1 0 422.909 4.218 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000559984717 944111357 /nfs/dbraw/zinc/11/13/57/944111357.db2.gz VRGSCIKEMJLYJK-BEFAXECRSA-N 1 0 401.532 4.133 20 5 HIBDRO CCOc1cc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)ccc1[N+](=O)[O-] ZINC000560178847 944188027 /nfs/dbraw/zinc/18/80/27/944188027.db2.gz YXLSNNOIGNMASN-SFHVURJKSA-N 1 0 406.280 4.392 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000562117659 944951184 /nfs/dbraw/zinc/95/11/84/944951184.db2.gz TYGLCKSCPQVIAC-UHFFFAOYSA-N 1 0 423.513 4.122 20 5 HIBDRO O=C1[C@H]([NH2+][C@@H](Cc2ccccc2)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000565384083 945821130 /nfs/dbraw/zinc/82/11/30/945821130.db2.gz GEBBIIKAKCBDRF-UXHICEINSA-N 1 0 407.495 4.335 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000566026850 945976194 /nfs/dbraw/zinc/97/61/94/945976194.db2.gz JQBKVIFEIVSYMD-LJQANCHMSA-N 1 0 411.502 4.181 20 5 HIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000566878892 946146152 /nfs/dbraw/zinc/14/61/52/946146152.db2.gz YFLNQPIDMMZTOC-MRXNPFEDSA-N 1 0 406.442 4.380 20 5 HIBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000567204883 946271152 /nfs/dbraw/zinc/27/11/52/946271152.db2.gz IZUACUOBQYYXPA-LJQANCHMSA-N 1 0 420.513 4.037 20 5 HIBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000567204882 946271524 /nfs/dbraw/zinc/27/15/24/946271524.db2.gz IZUACUOBQYYXPA-IBGZPJMESA-N 1 0 420.513 4.037 20 5 HIBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000567793106 946413445 /nfs/dbraw/zinc/41/34/45/946413445.db2.gz AGKLMARUWFPAEA-UHFFFAOYSA-N 1 0 405.564 4.339 20 5 HIBDRO CC(C)(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000570894269 947388064 /nfs/dbraw/zinc/38/80/64/947388064.db2.gz IVAKJJINYFEFNH-HXUWFJFHSA-N 1 0 409.530 4.291 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000574059721 948354740 /nfs/dbraw/zinc/35/47/40/948354740.db2.gz RYGFBMUCQOQYJY-SFHVURJKSA-N 1 0 401.532 4.092 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC3)cs1 ZINC001164690896 719805270 /nfs/dbraw/zinc/80/52/70/719805270.db2.gz CCJLKEZWIOJCRO-UHFFFAOYSA-N 1 0 407.927 4.043 20 5 HIBDRO O=[N+]([O-])c1cccc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc21 ZINC001164694752 719891132 /nfs/dbraw/zinc/89/11/32/719891132.db2.gz FCUIYZPHUHLWTF-UHFFFAOYSA-N 1 0 424.526 4.076 20 5 HIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3ccc4cccnc4c3n1)[C@H]2C ZINC001164859324 720941180 /nfs/dbraw/zinc/94/11/80/720941180.db2.gz MQWXXKDBJKXQJZ-KRWDZBQOSA-N 1 0 400.530 4.401 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165023979 721808063 /nfs/dbraw/zinc/80/80/63/721808063.db2.gz KOJWWZAXXIRCPL-JQHSSLGASA-N 1 0 415.925 4.084 20 5 HIBDRO CC(C)Oc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164997255 722209639 /nfs/dbraw/zinc/20/96/39/722209639.db2.gz XQKABUAIQDRWSE-JOCHJYFZSA-N 1 0 414.481 4.161 20 5 HIBDRO CC(C)Oc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164997256 722209818 /nfs/dbraw/zinc/20/98/18/722209818.db2.gz XQKABUAIQDRWSE-QFIPXVFZSA-N 1 0 414.481 4.161 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436101290 861385319 /nfs/dbraw/zinc/38/53/19/861385319.db2.gz LJKQMEVOMMCGNM-UHFFFAOYSA-N 1 0 411.505 4.207 20 5 HIBDRO CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000007492245 845344635 /nfs/dbraw/zinc/34/46/35/845344635.db2.gz SETZLQFKDLGSIB-UHFFFAOYSA-N 1 0 417.893 4.041 20 5 HIBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000436305235 861610139 /nfs/dbraw/zinc/61/01/39/861610139.db2.gz FUPMWFGOBXWTKL-GFCCVEGCSA-N 1 0 400.426 4.394 20 5 HIBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000015549886 846061879 /nfs/dbraw/zinc/06/18/79/846061879.db2.gz BGHWOTAJKSIRBN-SFHVURJKSA-N 1 0 406.280 4.283 20 5 HIBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000015550330 846062287 /nfs/dbraw/zinc/06/22/87/846062287.db2.gz TTZVBEILCZDBML-GOSISDBHSA-N 1 0 424.270 4.422 20 5 HIBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000436341233 861652280 /nfs/dbraw/zinc/65/22/80/861652280.db2.gz GFDJEAXKFWCULQ-LJQANCHMSA-N 1 0 417.553 4.410 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000025215332 846942946 /nfs/dbraw/zinc/94/29/46/846942946.db2.gz KOQJFNGAOZUTBQ-ABAIWWIYSA-N 1 0 421.906 4.411 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025861549 847046857 /nfs/dbraw/zinc/04/68/57/847046857.db2.gz GQLXAPZNARTZJA-HXUWFJFHSA-N 1 0 417.531 4.138 20 5 HIBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000030531832 847730784 /nfs/dbraw/zinc/73/07/84/847730784.db2.gz GJQIRRKLJIQIHL-GCJKJVERSA-N 1 0 406.482 4.145 20 5 HIBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032761969 848072653 /nfs/dbraw/zinc/07/26/53/848072653.db2.gz AGHGTIDHCBLOGT-OAHLLOKOSA-N 1 0 401.513 4.438 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000044877512 848611808 /nfs/dbraw/zinc/61/18/08/848611808.db2.gz RQQIGRNRSYOWPN-HNNXBMFYSA-N 1 0 401.894 4.410 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000045820149 848734968 /nfs/dbraw/zinc/73/49/68/848734968.db2.gz YFDDZZCMWCLIFU-LJQANCHMSA-N 1 0 404.898 4.103 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000050629627 849400186 /nfs/dbraw/zinc/40/01/86/849400186.db2.gz ICLXHFAYDFUUNZ-RVKKMQEKSA-N 1 0 414.531 4.196 20 5 HIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000055151913 849978115 /nfs/dbraw/zinc/97/81/15/849978115.db2.gz RGFJAMHLFMWYSS-GJZGRUSLSA-N 1 0 401.463 4.068 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000058519824 850844364 /nfs/dbraw/zinc/84/43/64/850844364.db2.gz JPJULGSTCDRBDO-MRXNPFEDSA-N 1 0 412.490 4.300 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000058948750 850965731 /nfs/dbraw/zinc/96/57/31/850965731.db2.gz ZFOQMWJUVVISNM-MRXNPFEDSA-N 1 0 413.543 4.479 20 5 HIBDRO COc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000059410582 851005694 /nfs/dbraw/zinc/00/56/94/851005694.db2.gz UQZLZWYBQLDWFK-IRXDYDNUSA-N 1 0 411.502 4.011 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000060475304 851112797 /nfs/dbraw/zinc/11/27/97/851112797.db2.gz CLKGZASCQYDIBI-QGZVFWFLSA-N 1 0 411.502 4.298 20 5 HIBDRO Cc1ccc([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000060862668 851234817 /nfs/dbraw/zinc/23/48/17/851234817.db2.gz UMMRAIYARWNWFK-JOCHJYFZSA-N 1 0 408.502 4.044 20 5 HIBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000437042819 862233779 /nfs/dbraw/zinc/23/37/79/862233779.db2.gz UCXIVYDQKLKWCN-MRXNPFEDSA-N 1 0 421.419 4.208 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000062238406 851513651 /nfs/dbraw/zinc/51/36/51/851513651.db2.gz BARHCECFPXMXDZ-NEPJUHHUSA-N 1 0 411.380 4.300 20 5 HIBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000065115502 852068577 /nfs/dbraw/zinc/06/85/77/852068577.db2.gz HUPTZYSLGSFTFG-UHFFFAOYSA-N 1 0 410.499 4.100 20 5 HIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000065128639 852075208 /nfs/dbraw/zinc/07/52/08/852075208.db2.gz ZWYXBPGTENTKHL-DAYGRLMNSA-N 1 0 414.531 4.196 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000065867451 852291611 /nfs/dbraw/zinc/29/16/11/852291611.db2.gz MNKMQRMOTZYYIK-GOSISDBHSA-N 1 0 420.513 4.240 20 5 HIBDRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000071950556 852442488 /nfs/dbraw/zinc/44/24/88/852442488.db2.gz MRUCDVYOUIYYTP-IBGZPJMESA-N 1 0 409.486 4.004 20 5 HIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000072009924 852464549 /nfs/dbraw/zinc/46/45/49/852464549.db2.gz HQDKRWWKXXXIQX-IBGZPJMESA-N 1 0 424.545 4.335 20 5 HIBDRO Cc1cccc([C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)N2CCOCC2)c1 ZINC000072082421 852500119 /nfs/dbraw/zinc/50/01/19/852500119.db2.gz RJPPSKWECPVHPV-HSZRJFAPSA-N 1 0 421.497 4.326 20 5 HIBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)CC1 ZINC000097543541 852624491 /nfs/dbraw/zinc/62/44/91/852624491.db2.gz BQCYRCWCMPKGNM-UHFFFAOYSA-N 1 0 401.894 4.410 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000105812331 852730517 /nfs/dbraw/zinc/73/05/17/852730517.db2.gz IVKQNBFVOAAQAH-UHFFFAOYSA-N 1 0 411.380 4.262 20 5 HIBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)CC1 ZINC000437200642 862390564 /nfs/dbraw/zinc/39/05/64/862390564.db2.gz PLYCZZBYFRYZCB-OAHLLOKOSA-N 1 0 413.440 4.198 20 5 HIBDRO COc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC000108713481 852875461 /nfs/dbraw/zinc/87/54/61/852875461.db2.gz FIPPTCHZBHNILK-UHFFFAOYSA-N 1 0 409.408 4.335 20 5 HIBDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000108971739 852901785 /nfs/dbraw/zinc/90/17/85/852901785.db2.gz SFBHUAXELLNDTA-OAHLLOKOSA-N 1 0 422.485 4.291 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000109350924 852956591 /nfs/dbraw/zinc/95/65/91/852956591.db2.gz FLIRVNWRNANONG-INIZCTEOSA-N 1 0 405.564 4.236 20 5 HIBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](Cc4cccc5cccnc54)CC3)sc2c1 ZINC000111106193 853202887 /nfs/dbraw/zinc/20/28/87/853202887.db2.gz PAZNOAOMUOLAIA-UHFFFAOYSA-N 1 0 405.483 4.075 20 5 HIBDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000117271257 853350363 /nfs/dbraw/zinc/35/03/63/853350363.db2.gz DUCJKHSFUBXXQK-FQEVSTJZSA-N 1 0 415.921 4.451 20 5 HIBDRO C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000139904697 853426086 /nfs/dbraw/zinc/42/60/86/853426086.db2.gz CEYOAASGUPVGRX-MRXNPFEDSA-N 1 0 414.531 4.069 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000195600832 853706496 /nfs/dbraw/zinc/70/64/96/853706496.db2.gz CYVGVJXWPLTKLA-UHFFFAOYSA-N 1 0 421.291 4.161 20 5 HIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000195601007 853706682 /nfs/dbraw/zinc/70/66/82/853706682.db2.gz KZBULNVKXIMCSU-UHFFFAOYSA-N 1 0 421.291 4.032 20 5 HIBDRO CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000215896445 853839793 /nfs/dbraw/zinc/83/97/93/853839793.db2.gz HQCGMGGICOVRMB-UHFFFAOYSA-N 1 0 403.866 4.207 20 5 HIBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000216728606 853858039 /nfs/dbraw/zinc/85/80/39/853858039.db2.gz GSVLDYXQTKJTCA-OAQYLSRUSA-N 1 0 422.529 4.297 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000236841377 853927930 /nfs/dbraw/zinc/92/79/30/853927930.db2.gz RVABHEWLNOEJBK-UHFFFAOYSA-N 1 0 421.881 4.082 20 5 HIBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236989809 853948388 /nfs/dbraw/zinc/94/83/88/853948388.db2.gz DJWBQAUDOMRDFI-KBPBESRZSA-N 1 0 405.882 4.433 20 5 HIBDRO COc1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000237416183 854027531 /nfs/dbraw/zinc/02/75/31/854027531.db2.gz YXQHTZXVDUFJSQ-UHFFFAOYSA-N 1 0 415.453 4.141 20 5 HIBDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000237466306 854038201 /nfs/dbraw/zinc/03/82/01/854038201.db2.gz HPMWCSBVBKAEDN-NWMLYGLHSA-N 1 0 422.506 4.391 20 5 HIBDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000237476201 854041302 /nfs/dbraw/zinc/04/13/02/854041302.db2.gz APNZTSLERVOPSX-UHFFFAOYSA-N 1 0 421.453 4.024 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000237484930 854043552 /nfs/dbraw/zinc/04/35/52/854043552.db2.gz DJNHLNIBWQBAJC-HOTGVXAUSA-N 1 0 415.465 4.405 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437279816 862530132 /nfs/dbraw/zinc/53/01/32/862530132.db2.gz FOWXSMTUBZGDLL-CABCVRRESA-N 1 0 413.440 4.340 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237782094 854095860 /nfs/dbraw/zinc/09/58/60/854095860.db2.gz GFXHHGUUHRPCAS-UHFFFAOYSA-N 1 0 421.501 4.392 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3cc(F)cc4c3OCOC4)cs2)c1 ZINC000237804293 854101200 /nfs/dbraw/zinc/10/12/00/854101200.db2.gz YWVOWVRIOYHXNM-UHFFFAOYSA-N 1 0 415.446 4.056 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3nnc4n3CCCCC4)o2)c(Cl)c1 ZINC000237818104 854103331 /nfs/dbraw/zinc/10/33/31/854103331.db2.gz NPSSPLKGCYVKOV-UHFFFAOYSA-N 1 0 415.881 4.158 20 5 HIBDRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000237918221 854119048 /nfs/dbraw/zinc/11/90/48/854119048.db2.gz RPCZYUJWFQAGMK-GDBMZVCRSA-N 1 0 403.866 4.174 20 5 HIBDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c1)CC2 ZINC000237968206 854127700 /nfs/dbraw/zinc/12/77/00/854127700.db2.gz BEEWKHVQOJWKDZ-KRWDZBQOSA-N 1 0 409.515 4.059 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000238015048 854133751 /nfs/dbraw/zinc/13/37/51/854133751.db2.gz ZVNUZLZWIQRDCR-VGSWGCGISA-N 1 0 406.486 4.088 20 5 HIBDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000238101253 854143630 /nfs/dbraw/zinc/14/36/30/854143630.db2.gz VRZRVLHGJYCOPF-UHFFFAOYSA-N 1 0 423.494 4.229 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000251640041 854199369 /nfs/dbraw/zinc/19/93/69/854199369.db2.gz JBQOAFNDGIGPHA-QZTJIDSGSA-N 1 0 413.522 4.150 20 5 HIBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301433483 854393376 /nfs/dbraw/zinc/39/33/76/854393376.db2.gz RCPQYYRUILTVLW-JXFKEZNVSA-N 1 0 416.547 4.290 20 5 HIBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301534355 854415095 /nfs/dbraw/zinc/41/50/95/854415095.db2.gz LDWFVPFOELIBSY-FXAWDEMLSA-N 1 0 410.518 4.198 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000301603455 854427939 /nfs/dbraw/zinc/42/79/39/854427939.db2.gz XDPGXEJTCLLUHV-DYVFJYSZSA-N 1 0 405.296 4.075 20 5 HIBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000301635809 854434763 /nfs/dbraw/zinc/43/47/63/854434763.db2.gz OMTLGLHNHFTGKZ-UHFFFAOYSA-N 1 0 410.499 4.122 20 5 HIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301688399 854445516 /nfs/dbraw/zinc/44/55/16/854445516.db2.gz MOUYROQLUSUHHI-ZDUSSCGKSA-N 1 0 405.296 4.390 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)cc1C(F)(F)F ZINC000301748987 854457980 /nfs/dbraw/zinc/45/79/80/854457980.db2.gz HPGWOACJIOQVFN-UHFFFAOYSA-N 1 0 409.408 4.182 20 5 HIBDRO O=[N+]([O-])c1cncc(Br)c1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000301887179 854485220 /nfs/dbraw/zinc/48/52/20/854485220.db2.gz MQOMBHDCJKXUKU-UHFFFAOYSA-N 1 0 411.325 4.138 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000301936910 854498427 /nfs/dbraw/zinc/49/84/27/854498427.db2.gz QOPHPWUYOMECBC-CQSZACIVSA-N 1 0 423.560 4.046 20 5 HIBDRO Cc1nc(CN2CCC(CNc3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)oc1C ZINC000302028427 854518597 /nfs/dbraw/zinc/51/85/97/854518597.db2.gz RETNSHHGBGIEHV-UHFFFAOYSA-N 1 0 409.490 4.380 20 5 HIBDRO Cc1cc(NC2CCN(C(=O)c3ccccc3F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302211198 854550860 /nfs/dbraw/zinc/55/08/60/854550860.db2.gz YONYXFHQBMHCKG-UHFFFAOYSA-N 1 0 408.433 4.307 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)c(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c(Cl)c1 ZINC000302315151 854561450 /nfs/dbraw/zinc/56/14/50/854561450.db2.gz UPSMZUCJWLDAMS-UHFFFAOYSA-N 1 0 414.318 4.446 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000303325467 854872472 /nfs/dbraw/zinc/87/24/72/854872472.db2.gz ATZGVGLUUZFCAR-CYBMUJFWSA-N 1 0 422.432 4.447 20 5 HIBDRO Cc1csc(Sc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000303844264 855240952 /nfs/dbraw/zinc/24/09/52/855240952.db2.gz IYERCLAQPNFNGR-DZGCQCFKSA-N 1 0 420.560 4.066 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)CC2)n1 ZINC000425978746 856028938 /nfs/dbraw/zinc/02/89/38/856028938.db2.gz IQHPSJVHDQOEQW-UHFFFAOYSA-N 1 0 410.449 4.347 20 5 HIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000426470652 856309056 /nfs/dbraw/zinc/30/90/56/856309056.db2.gz UJQOFODSPCVTMJ-QGZVFWFLSA-N 1 0 410.518 4.398 20 5 HIBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000427364384 856796428 /nfs/dbraw/zinc/79/64/28/856796428.db2.gz ARZCEOVISMYTJN-UHFFFAOYSA-N 1 0 423.435 4.137 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)c1 ZINC000428650481 857289566 /nfs/dbraw/zinc/28/95/66/857289566.db2.gz PFWDBKLOZXOAQS-HSZRJFAPSA-N 1 0 419.481 4.061 20 5 HIBDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000429227081 857564683 /nfs/dbraw/zinc/56/46/83/857564683.db2.gz CRVJWRIFFZSMFA-INIZCTEOSA-N 1 0 410.449 4.142 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000429235346 857566907 /nfs/dbraw/zinc/56/69/07/857566907.db2.gz IQMOSLDZDVPBOD-JPYJTQIMSA-N 1 0 417.465 4.046 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000429437784 857668475 /nfs/dbraw/zinc/66/84/75/857668475.db2.gz OXTRQNUPBNHZRO-NVXWUHKLSA-N 1 0 421.335 4.119 20 5 HIBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCCCC2 ZINC000429782819 857883807 /nfs/dbraw/zinc/88/38/07/857883807.db2.gz GRHWQUPBGKDTAO-FHLIZLRMSA-N 1 0 400.479 4.423 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000430142864 858052050 /nfs/dbraw/zinc/05/20/50/858052050.db2.gz ASCBQQXEOMJJJU-SJKOYZFVSA-N 1 0 411.271 4.141 20 5 HIBDRO 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 858296364 /nfs/dbraw/zinc/29/63/64/858296364.db2.gz GGEKLFBBSPZTOV-PONJGIIJSA-N 1 0 416.474 4.022 20 5 HIBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437674799 863016782 /nfs/dbraw/zinc/01/67/82/863016782.db2.gz MXDMMBDUIXFKJX-FQEVSTJZSA-N 1 0 412.490 4.089 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1SC ZINC000431125208 858457493 /nfs/dbraw/zinc/45/74/93/858457493.db2.gz MTRNYAMVPZYCPF-UHFFFAOYSA-N 1 0 415.515 4.482 20 5 HIBDRO CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433154571 859543674 /nfs/dbraw/zinc/54/36/74/859543674.db2.gz ZVBMKHALJOOHGY-GOSISDBHSA-N 1 0 408.907 4.034 20 5 HIBDRO COc1ccccc1-c1noc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000433168009 859550588 /nfs/dbraw/zinc/55/05/88/859550588.db2.gz LEIRLQUMVQFQBH-UHFFFAOYSA-N 1 0 408.458 4.076 20 5 HIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433228345 859579117 /nfs/dbraw/zinc/57/91/17/859579117.db2.gz OVEXQADZLREZIL-OXQOHEQNSA-N 1 0 421.476 4.319 20 5 HIBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433239777 859585587 /nfs/dbraw/zinc/58/55/87/859585587.db2.gz LVYBVFRWHIJZRC-YWZLYKJASA-N 1 0 402.516 4.078 20 5 HIBDRO COc1ccc([C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)N(C)C)cc1OC ZINC000433287864 859617426 /nfs/dbraw/zinc/61/74/26/859617426.db2.gz QACWHJBTXMZWRX-WOJBJXKFSA-N 1 0 413.518 4.227 20 5 HIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000434855930 860524477 /nfs/dbraw/zinc/52/44/77/860524477.db2.gz POUQUOCMWULLIV-CQSZACIVSA-N 1 0 423.404 4.305 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434905033 860548930 /nfs/dbraw/zinc/54/89/30/860548930.db2.gz PIZDAFIZAWQPOP-UHFFFAOYSA-N 1 0 415.877 4.375 20 5 HIBDRO Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435293569 860723479 /nfs/dbraw/zinc/72/34/79/860723479.db2.gz AFVUDUTXHIIQRE-FQEVSTJZSA-N 1 0 419.485 4.107 20 5 HIBDRO O=C(c1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000435600955 860905309 /nfs/dbraw/zinc/90/53/09/860905309.db2.gz HQMWUAAGGAHZNS-IBGZPJMESA-N 1 0 400.523 4.040 20 5 HIBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 ZINC000435750447 861030867 /nfs/dbraw/zinc/03/08/67/861030867.db2.gz XVTQLWXQSDQMLO-MHZLTWQESA-N 1 0 408.907 4.431 20 5 HIBDRO CCC1(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000435915709 861176947 /nfs/dbraw/zinc/17/69/47/861176947.db2.gz ROWRVZDRIDEDBU-UHFFFAOYSA-N 1 0 411.502 4.026 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000437875261 863236333 /nfs/dbraw/zinc/23/63/33/863236333.db2.gz SSMPMUNMOCLICM-KRWDZBQOSA-N 1 0 421.516 4.347 20 5 HIBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438341244 863813440 /nfs/dbraw/zinc/81/34/40/863813440.db2.gz APZMWKDCKANZOI-OAQYLSRUSA-N 1 0 400.523 4.066 20 5 HIBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000438573345 864006046 /nfs/dbraw/zinc/00/60/46/864006046.db2.gz YNPFUALYSRZWHS-UHFFFAOYSA-N 1 0 421.447 4.316 20 5 HIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccccc1 ZINC000438837122 864330446 /nfs/dbraw/zinc/33/04/46/864330446.db2.gz IDTJLIZNSYSGOZ-YGWPLHOASA-N 1 0 415.877 4.085 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000439140698 864574236 /nfs/dbraw/zinc/57/42/36/864574236.db2.gz IRAIDTIVYIVDMT-QFIPXVFZSA-N 1 0 409.490 4.130 20 5 HIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000468002806 881844375 /nfs/dbraw/zinc/84/43/75/881844375.db2.gz GKSJYOOUWLYGGU-INIZCTEOSA-N 1 0 402.516 4.204 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000439883901 865195235 /nfs/dbraw/zinc/19/52/35/865195235.db2.gz VGKFJGSHJGETTK-AUUYWEPGSA-N 1 0 418.519 4.260 20 5 HIBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000468052193 881877455 /nfs/dbraw/zinc/87/74/55/881877455.db2.gz RNZWLFSIZFJEHO-CJNGLKHVSA-N 1 0 407.392 4.065 20 5 HIBDRO O=C(c1cccc([N+](=O)[O-])c1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440426629 865725464 /nfs/dbraw/zinc/72/54/64/865725464.db2.gz QEIYHWCGEOXEKH-KRWDZBQOSA-N 1 0 421.419 4.121 20 5 HIBDRO COc1ccc(OCC[NH+]2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000441168894 866251339 /nfs/dbraw/zinc/25/13/39/866251339.db2.gz OCRWNMMGWXYIQJ-UHFFFAOYSA-N 1 0 413.499 4.472 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@]3(CO)CCCc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000441336044 866407058 /nfs/dbraw/zinc/40/70/58/866407058.db2.gz GXPLVRVFONKVQC-HSZRJFAPSA-N 1 0 408.454 4.177 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000443223147 867880551 /nfs/dbraw/zinc/88/05/51/867880551.db2.gz MBMDKCCRSFDCQH-WDEREUQCSA-N 1 0 412.309 4.487 20 5 HIBDRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000468238933 882134266 /nfs/dbraw/zinc/13/42/66/882134266.db2.gz ZLYCCUSPIKPVRX-HOTGVXAUSA-N 1 0 404.536 4.028 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443641468 868223605 /nfs/dbraw/zinc/22/36/05/868223605.db2.gz PRDUEMQKZKTZGY-MRXNPFEDSA-N 1 0 403.866 4.039 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000443954556 868489351 /nfs/dbraw/zinc/48/93/51/868489351.db2.gz BNHKCQHUAQTDOA-MRXNPFEDSA-N 1 0 402.520 4.307 20 5 HIBDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000443962951 868496644 /nfs/dbraw/zinc/49/66/44/868496644.db2.gz LUIVRXCLOABJOY-LJQANCHMSA-N 1 0 414.506 4.043 20 5 HIBDRO CCNc1ccc(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000444011830 868535136 /nfs/dbraw/zinc/53/51/36/868535136.db2.gz KLTCIWNEWXMFPK-LJQANCHMSA-N 1 0 410.518 4.011 20 5 HIBDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)n(C)n1 ZINC000444015398 868539153 /nfs/dbraw/zinc/53/91/53/868539153.db2.gz TXOXQZYBDWAKNJ-QGZVFWFLSA-N 1 0 411.531 4.124 20 5 HIBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444020749 868546755 /nfs/dbraw/zinc/54/67/55/868546755.db2.gz GIINGSWFCJLETO-UHFFFAOYSA-N 1 0 423.532 4.405 20 5 HIBDRO CC(C)[NH+](CCN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(C)C ZINC000444302422 868735494 /nfs/dbraw/zinc/73/54/94/868735494.db2.gz JGENEVQFWOFFOC-UHFFFAOYSA-N 1 0 415.484 4.150 20 5 HIBDRO C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444307849 868739368 /nfs/dbraw/zinc/73/93/68/868739368.db2.gz MGKXBGFMBZBIGH-AEFFLSMTSA-N 1 0 403.526 4.064 20 5 HIBDRO CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000444330136 868757349 /nfs/dbraw/zinc/75/73/49/868757349.db2.gz LNRCPRCCZJEZQP-UHFFFAOYSA-N 1 0 405.542 4.408 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000444674999 868951957 /nfs/dbraw/zinc/95/19/57/868951957.db2.gz LLPFAICRUZUBJV-ZDUSSCGKSA-N 1 0 417.416 4.327 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(NCC3CC[NH+](C4CC4)CC3)c([N+](=O)[O-])c2)cc1 ZINC000444868349 869066593 /nfs/dbraw/zinc/06/65/93/869066593.db2.gz FKMIIAQHZPSLIU-UHFFFAOYSA-N 1 0 408.502 4.442 20 5 HIBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000444929434 869113376 /nfs/dbraw/zinc/11/33/76/869113376.db2.gz YDGYZYOUQVOVBK-VQIMIIECSA-N 1 0 412.490 4.293 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2noc([C@@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC000445480453 869552788 /nfs/dbraw/zinc/55/27/88/869552788.db2.gz ZBAQBLGCYWGZMP-QGZVFWFLSA-N 1 0 424.404 4.412 20 5 HIBDRO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445814560 869836424 /nfs/dbraw/zinc/83/64/24/869836424.db2.gz ZHCGJCAFXHZIQE-YJYMSZOUSA-N 1 0 423.498 4.181 20 5 HIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 ZINC000446049451 870012436 /nfs/dbraw/zinc/01/24/36/870012436.db2.gz CDRNRJPOPIDWKB-UHFFFAOYSA-N 1 0 413.521 4.452 20 5 HIBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000446460273 870378668 /nfs/dbraw/zinc/37/86/68/870378668.db2.gz XJUZIFHMSPAETO-UHFFFAOYSA-N 1 0 411.527 4.350 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000446494690 870411413 /nfs/dbraw/zinc/41/14/13/870411413.db2.gz NDDIMHOQNVGFEA-UHFFFAOYSA-N 1 0 402.882 4.343 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000446977771 870875553 /nfs/dbraw/zinc/87/55/53/870875553.db2.gz RIRYBXGMWBZFHV-YVEFUNNKSA-N 1 0 400.422 4.459 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000447070457 870950826 /nfs/dbraw/zinc/95/08/26/870950826.db2.gz WDUCSNIUPAGTRE-UHFFFAOYSA-N 1 0 401.264 4.141 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1OC1CCCC1 ZINC000447527233 871391669 /nfs/dbraw/zinc/39/16/69/871391669.db2.gz DIFQIQQWVNKUBD-RBUKOAKNSA-N 1 0 414.506 4.395 20 5 HIBDRO C[C@@H]([NH2+]C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1)c1ccccc1 ZINC000447545206 871411994 /nfs/dbraw/zinc/41/19/94/871411994.db2.gz WOZFVVXQCHYNSB-WZONZLPQSA-N 1 0 409.530 4.462 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)CCC2 ZINC000447561626 871453120 /nfs/dbraw/zinc/45/31/20/871453120.db2.gz IUKXVHKCGICLOL-LPHOPBHVSA-N 1 0 410.392 4.021 20 5 HIBDRO O=C(NC1CCCCC1)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447574837 871475684 /nfs/dbraw/zinc/47/56/84/871475684.db2.gz OWNQENGTMSHTEJ-NRFANRHFSA-N 1 0 400.523 4.069 20 5 HIBDRO CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1OC(F)F ZINC000447579658 871482331 /nfs/dbraw/zinc/48/23/31/871482331.db2.gz LDJUVPZCAKRDIA-GJZGRUSLSA-N 1 0 410.421 4.065 20 5 HIBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(OCC(F)(F)F)c1 ZINC000447584777 871490160 /nfs/dbraw/zinc/49/01/60/871490160.db2.gz HHDKCMUTWGTUER-CVEARBPZSA-N 1 0 412.412 4.314 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2csc(CCc3ccccc3)n2)n1 ZINC000447589083 871492404 /nfs/dbraw/zinc/49/24/04/871492404.db2.gz WWHDNKMMKYYAEP-MOPGFXCFSA-N 1 0 411.531 4.307 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cc3cc(Br)ccc3[nH]2)n1 ZINC000447600092 871506910 /nfs/dbraw/zinc/50/69/10/871506910.db2.gz LRXAKUJLQYNLGX-IAGOWNOFSA-N 1 0 418.295 4.309 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@H](CO)[C@H]3CCCO3)cc2[N+](=O)[O-])c1 ZINC000447983799 871834618 /nfs/dbraw/zinc/83/46/18/871834618.db2.gz UFOBIZUHTQGXSD-TZIWHRDSSA-N 1 0 414.502 4.448 20 5 HIBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448444072 872386506 /nfs/dbraw/zinc/38/65/06/872386506.db2.gz APCKJFQKXPPQRN-PGRDOPGGSA-N 1 0 420.513 4.427 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000468646447 882782041 /nfs/dbraw/zinc/78/20/41/882782041.db2.gz XLHNSUHUBWKLSW-SAPNQHFASA-N 1 0 400.523 4.094 20 5 HIBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1 ZINC000468699442 882819963 /nfs/dbraw/zinc/81/99/63/882819963.db2.gz IFYBZQGPVSQBFE-WMZOPIPTSA-N 1 0 419.547 4.176 20 5 HIBDRO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461470881 874527586 /nfs/dbraw/zinc/52/75/86/874527586.db2.gz JJYXYSBHXMWKRL-LJQANCHMSA-N 1 0 413.543 4.105 20 5 HIBDRO Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461958436 875086831 /nfs/dbraw/zinc/08/68/31/875086831.db2.gz OCUAGHVIWSBESV-UHFFFAOYSA-N 1 0 401.429 4.003 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000462549985 875674156 /nfs/dbraw/zinc/67/41/56/875674156.db2.gz MANGHQITIWXMLN-PZJWPPBQSA-N 1 0 412.486 4.230 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551166 875675978 /nfs/dbraw/zinc/67/59/78/875675978.db2.gz MKLDRZZLRSQUFK-IIBYNOLFSA-N 1 0 408.527 4.328 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462621716 875733076 /nfs/dbraw/zinc/73/30/76/875733076.db2.gz RZDKCRBPAVSZKU-DENIHFKCSA-N 1 0 409.530 4.287 20 5 HIBDRO 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 875752722 /nfs/dbraw/zinc/75/27/22/875752722.db2.gz OFHRLTOPBWMSRM-SMKKKYSBSA-N 1 0 423.557 4.436 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000462746350 875815259 /nfs/dbraw/zinc/81/52/59/875815259.db2.gz QKMQJVGIYWUNON-YUXAGFNASA-N 1 0 417.465 4.101 20 5 HIBDRO C[N@@H+]1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1cccs1 ZINC000462882208 875910360 /nfs/dbraw/zinc/91/03/60/875910360.db2.gz SDQYKTBISBQXSO-VLIAUNLRSA-N 1 0 400.504 4.036 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000462983983 875996576 /nfs/dbraw/zinc/99/65/76/875996576.db2.gz BFJCSJYPYOYHFM-JTHBVZDNSA-N 1 0 424.545 4.072 20 5 HIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)cccc1[N+](=O)[O-] ZINC000463363114 876418237 /nfs/dbraw/zinc/41/82/37/876418237.db2.gz WHKFKRNIYCKVKR-CQSZACIVSA-N 1 0 423.307 4.278 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000463964506 877089645 /nfs/dbraw/zinc/08/96/45/877089645.db2.gz OHBJAGPRFLWKPO-DNVCBOLYSA-N 1 0 402.520 4.478 20 5 HIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[NH+](C)C ZINC000464406609 877609597 /nfs/dbraw/zinc/60/95/97/877609597.db2.gz OFIQSEXXVSHVMS-ACJLOTCBSA-N 1 0 409.408 4.343 20 5 HIBDRO COc1cc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000464571588 877793541 /nfs/dbraw/zinc/79/35/41/877793541.db2.gz DUSHWDSFWREFQJ-UHFFFAOYSA-N 1 0 418.465 4.193 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000465184723 878575901 /nfs/dbraw/zinc/57/59/01/878575901.db2.gz KVIPZFUKEUFTJV-QGZVFWFLSA-N 1 0 411.502 4.232 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2)C1 ZINC000465195883 878596256 /nfs/dbraw/zinc/59/62/56/878596256.db2.gz OHNFTJUSMAAWDF-AWEZNQCLSA-N 1 0 403.866 4.221 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)C1 ZINC000465196455 878598357 /nfs/dbraw/zinc/59/83/57/878598357.db2.gz STDDFDJRMKDGKP-INIZCTEOSA-N 1 0 424.501 4.142 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465573966 879048363 /nfs/dbraw/zinc/04/83/63/879048363.db2.gz ORGRIZKHTDUVJP-GOSISDBHSA-N 1 0 410.518 4.011 20 5 HIBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000465977715 879649178 /nfs/dbraw/zinc/64/91/78/879649178.db2.gz HUKZDDDWPKIVGP-JOCHJYFZSA-N 1 0 424.545 4.081 20 5 HIBDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000466419372 880191234 /nfs/dbraw/zinc/19/12/34/880191234.db2.gz KMGJHISLRXQELH-UHFFFAOYSA-N 1 0 416.524 4.407 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466513080 880287070 /nfs/dbraw/zinc/28/70/70/880287070.db2.gz GYAMZCPYQAXBJD-NQIIRXRSSA-N 1 0 410.518 4.178 20 5 HIBDRO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000503526611 912575600 /nfs/dbraw/zinc/57/56/00/912575600.db2.gz GZAZIYQOQHUKFE-ACJLOTCBSA-N 1 0 424.423 4.104 20 5 HIBDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000467451275 881254160 /nfs/dbraw/zinc/25/41/60/881254160.db2.gz UDTYZXFKWOWNHQ-CRAIPNDOSA-N 1 0 416.909 4.101 20 5 HIBDRO CN(CCOc1ccc(C(F)(F)F)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000469743147 883898814 /nfs/dbraw/zinc/89/88/14/883898814.db2.gz XJWMYSJHALGYOI-UHFFFAOYSA-N 1 0 422.363 4.174 20 5 HIBDRO C[NH+](C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000469755073 883918417 /nfs/dbraw/zinc/91/84/17/883918417.db2.gz FSXCYSYREUVBJX-QGZVFWFLSA-N 1 0 420.391 4.128 20 5 HIBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000469771923 883946690 /nfs/dbraw/zinc/94/66/90/883946690.db2.gz HMOLHAFEPFFNQN-DYVFJYSZSA-N 1 0 404.479 4.401 20 5 HIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000469956774 884160194 /nfs/dbraw/zinc/16/01/94/884160194.db2.gz QBHWHLOAVOGIPB-UHFFFAOYSA-N 1 0 423.416 4.299 20 5 HIBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000503766452 912819175 /nfs/dbraw/zinc/81/91/75/912819175.db2.gz WWKPBOBNGVAZBW-UHFFFAOYSA-N 1 0 410.518 4.042 20 5 HIBDRO COc1ccccc1NC(=O)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470171742 884452638 /nfs/dbraw/zinc/45/26/38/884452638.db2.gz NXEYBNTUKFGSPX-SAPNQHFASA-N 1 0 409.486 4.357 20 5 HIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000470178229 884461012 /nfs/dbraw/zinc/46/10/12/884461012.db2.gz JCJFVKQGINVVBP-VKAVYKQESA-N 1 0 400.523 4.094 20 5 HIBDRO CCN1CCC[C@@H](C[N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216736 884544271 /nfs/dbraw/zinc/54/42/71/884544271.db2.gz BPTZZYSNNMUQRD-BZSCIHHFSA-N 1 0 411.550 4.137 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000503944767 912876923 /nfs/dbraw/zinc/87/69/23/912876923.db2.gz IIHDKCPHKIXQGT-LPHOPBHVSA-N 1 0 400.475 4.087 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000470979577 885480754 /nfs/dbraw/zinc/48/07/54/885480754.db2.gz LOJPGVILMOBLKS-MJGOQNOKSA-N 1 0 411.502 4.119 20 5 HIBDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000471937585 886734011 /nfs/dbraw/zinc/73/40/11/886734011.db2.gz SUFHXOLWVWXCIK-SIKLNZKXSA-N 1 0 424.501 4.320 20 5 HIBDRO COc1cccc(C=C2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000473025213 887850348 /nfs/dbraw/zinc/85/03/48/887850348.db2.gz SQZXOFQITPGXJH-UHFFFAOYSA-N 1 0 409.486 4.420 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000473446501 888168222 /nfs/dbraw/zinc/16/82/22/888168222.db2.gz CJPWXEDDXCNLBD-UHFFFAOYSA-N 1 0 409.845 4.249 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccccc2C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474353991 889233148 /nfs/dbraw/zinc/23/31/48/889233148.db2.gz OBPXKTLDIPMQIK-OAQYLSRUSA-N 1 0 400.475 4.332 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000474366492 889244377 /nfs/dbraw/zinc/24/43/77/889244377.db2.gz FMPFRUUMZAVNCY-LBPRGKRZSA-N 1 0 412.364 4.016 20 5 HIBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000474561855 889439197 /nfs/dbraw/zinc/43/91/97/889439197.db2.gz FADOZWGUSMDVGV-UHFFFAOYSA-N 1 0 416.909 4.027 20 5 HIBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1[N+](=O)[O-] ZINC000475085808 889932502 /nfs/dbraw/zinc/93/25/02/889932502.db2.gz FVCUQCDHCPEPDX-IRXDYDNUSA-N 1 0 406.527 4.219 20 5 HIBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475194719 890063161 /nfs/dbraw/zinc/06/31/61/890063161.db2.gz ZGGRVBDOLAJAPV-HNNXBMFYSA-N 1 0 412.368 4.165 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000475207788 890077564 /nfs/dbraw/zinc/07/75/64/890077564.db2.gz BIRNZFHQGGVLAW-CRAIPNDOSA-N 1 0 421.339 4.335 20 5 HIBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475314157 890229974 /nfs/dbraw/zinc/22/99/74/890229974.db2.gz RVTHWOBNUSPKNK-LJQANCHMSA-N 1 0 422.510 4.065 20 5 HIBDRO Cc1ccc([C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000475338985 890260465 /nfs/dbraw/zinc/26/04/65/890260465.db2.gz PHOHXQQMVHIBSJ-SBUREZEXSA-N 1 0 404.470 4.395 20 5 HIBDRO COc1cccc([C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[NH+]2CCCC2)c1 ZINC000475580034 890509688 /nfs/dbraw/zinc/50/96/88/890509688.db2.gz CNSVZHUOJBTKTB-OAQYLSRUSA-N 1 0 412.490 4.179 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000475627345 890565122 /nfs/dbraw/zinc/56/51/22/890565122.db2.gz QVNXCLAKLQMCQL-YCRPNKLZSA-N 1 0 418.877 4.420 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475701428 890639805 /nfs/dbraw/zinc/63/98/05/890639805.db2.gz LSAPDXJRWDOJOU-NEPJUHHUSA-N 1 0 401.394 4.167 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477062665 891994531 /nfs/dbraw/zinc/99/45/31/891994531.db2.gz HNCCVWGPMLUZCT-UHFFFAOYSA-N 1 0 419.437 4.211 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000504894803 913624693 /nfs/dbraw/zinc/62/46/93/913624693.db2.gz OHYISVCLUWMTTQ-SJLPKXTDSA-N 1 0 421.588 4.190 20 5 HIBDRO CCc1cc(N2CCC([NH2+][C@H](CC)CSc3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC000504895588 913627873 /nfs/dbraw/zinc/62/78/73/913627873.db2.gz VCQMSKAALAZKDM-QGZVFWFLSA-N 1 0 415.563 4.077 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000504899523 913632132 /nfs/dbraw/zinc/63/21/32/913632132.db2.gz IEEJPVOOBCLMSG-IBGZPJMESA-N 1 0 413.543 4.378 20 5 HIBDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2)c1 ZINC000477221725 892156743 /nfs/dbraw/zinc/15/67/43/892156743.db2.gz RPFFTCMMLAJCJG-MRXNPFEDSA-N 1 0 423.469 4.241 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ccc(C)cn2)CC1 ZINC000504905415 913638567 /nfs/dbraw/zinc/63/85/67/913638567.db2.gz IFVLBVQINFOIGW-KRWDZBQOSA-N 1 0 400.548 4.428 20 5 HIBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000504912316 913647619 /nfs/dbraw/zinc/64/76/19/913647619.db2.gz UKADOMSZZWCBNG-GOEBONIOSA-N 1 0 407.392 4.478 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000477375358 892336780 /nfs/dbraw/zinc/33/67/80/892336780.db2.gz RZOXMJJTHUADEI-YJBOKZPZSA-N 1 0 401.894 4.340 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000477375355 892336908 /nfs/dbraw/zinc/33/69/08/892336908.db2.gz RZOXMJJTHUADEI-QAPCUYQASA-N 1 0 401.894 4.340 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000477382379 892341020 /nfs/dbraw/zinc/34/10/20/892341020.db2.gz RUQOCEBAJPLRGE-UHFFFAOYSA-N 1 0 412.273 4.403 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000504920039 913657030 /nfs/dbraw/zinc/65/70/30/913657030.db2.gz MLNMTAULUSHTIP-QFBILLFUSA-N 1 0 400.475 4.320 20 5 HIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccccc1Cl ZINC000504930167 913670293 /nfs/dbraw/zinc/67/02/93/913670293.db2.gz OAYCKKFLERBISU-CQSZACIVSA-N 1 0 407.923 4.139 20 5 HIBDRO O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477543608 892584004 /nfs/dbraw/zinc/58/40/04/892584004.db2.gz SPMRZJZJVSUISK-UHFFFAOYSA-N 1 0 413.783 4.484 20 5 HIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000478036923 893168310 /nfs/dbraw/zinc/16/83/10/893168310.db2.gz WRSZWOUSFHLDPI-KRWDZBQOSA-N 1 0 402.520 4.260 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478235973 893398673 /nfs/dbraw/zinc/39/86/73/893398673.db2.gz LUCYWEVKXWFCSG-MRXNPFEDSA-N 1 0 404.511 4.112 20 5 HIBDRO CN(C(=O)[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000478387951 893661669 /nfs/dbraw/zinc/66/16/69/893661669.db2.gz SRUXJZTZIVUIQX-QFIPXVFZSA-N 1 0 407.445 4.098 20 5 HIBDRO C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000478616770 893878436 /nfs/dbraw/zinc/87/84/36/893878436.db2.gz BTFLDEPGCJQRSL-CHWSQXEVSA-N 1 0 419.469 4.085 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000479342678 894637659 /nfs/dbraw/zinc/63/76/59/894637659.db2.gz KJHYTBMQCDRUEQ-UHFFFAOYSA-N 1 0 401.532 4.479 20 5 HIBDRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000479407928 894714907 /nfs/dbraw/zinc/71/49/07/894714907.db2.gz JYRFILUISMXNKY-UHFFFAOYSA-N 1 0 407.392 4.008 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000479461586 894783223 /nfs/dbraw/zinc/78/32/23/894783223.db2.gz CSVQNVMOPLRZFF-CYBMUJFWSA-N 1 0 411.300 4.084 20 5 HIBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505277805 913935232 /nfs/dbraw/zinc/93/52/32/913935232.db2.gz GYRVESZWWQWVIM-UHFFFAOYSA-N 1 0 424.339 4.086 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505329632 913993450 /nfs/dbraw/zinc/99/34/50/913993450.db2.gz FBYVNRJAKBNPOL-IBGZPJMESA-N 1 0 416.522 4.342 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000480762469 896124236 /nfs/dbraw/zinc/12/42/36/896124236.db2.gz OWCXOGUMZCPRMK-UHFFFAOYSA-N 1 0 422.529 4.297 20 5 HIBDRO CN1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2C1 ZINC000505424326 914088121 /nfs/dbraw/zinc/08/81/21/914088121.db2.gz ZVNBICYPTJZCHW-UHFFFAOYSA-N 1 0 416.481 4.299 20 5 HIBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481283352 896630246 /nfs/dbraw/zinc/63/02/46/896630246.db2.gz LTWJIJCPSCKKJY-ZWKOTPCHSA-N 1 0 415.877 4.397 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481308840 896654295 /nfs/dbraw/zinc/65/42/95/896654295.db2.gz BUOBCELRQWSIRL-HOTGVXAUSA-N 1 0 409.515 4.433 20 5 HIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481361814 896740982 /nfs/dbraw/zinc/74/09/82/896740982.db2.gz SISVJDLQCBGKEQ-BBATYDOGSA-N 1 0 412.273 4.206 20 5 HIBDRO CC[NH+](CC)[C@H](C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000481588803 896967979 /nfs/dbraw/zinc/96/79/79/896967979.db2.gz PLMMJVOPBAHNDP-FOIQADDNSA-N 1 0 418.925 4.248 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000481691253 897077483 /nfs/dbraw/zinc/07/74/83/897077483.db2.gz WOUHBWPPGLICBF-KRWDZBQOSA-N 1 0 413.543 4.378 20 5 HIBDRO CCc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481875679 897247762 /nfs/dbraw/zinc/24/77/62/897247762.db2.gz QGJPRVHTKZIRAT-VXKWHMMOSA-N 1 0 407.514 4.284 20 5 HIBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482146734 897608850 /nfs/dbraw/zinc/60/88/50/897608850.db2.gz BGLCZFCCXOBNTJ-HHXXYDBFSA-N 1 0 401.511 4.196 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000505501947 914189054 /nfs/dbraw/zinc/18/90/54/914189054.db2.gz AWBKAGJVXDUYIP-LJQANCHMSA-N 1 0 417.531 4.138 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000482664595 898266981 /nfs/dbraw/zinc/26/69/81/898266981.db2.gz PQYCANPATONHKF-HNNXBMFYSA-N 1 0 400.454 4.159 20 5 HIBDRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482793292 898400438 /nfs/dbraw/zinc/40/04/38/898400438.db2.gz RIDUBTYREWYOIY-PZJWPPBQSA-N 1 0 408.502 4.422 20 5 HIBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC[C@H]21 ZINC000483165488 898834404 /nfs/dbraw/zinc/83/44/04/898834404.db2.gz CGLPKYXEFVZCJM-HRAATJIYSA-N 1 0 410.474 4.335 20 5 HIBDRO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483593687 899244159 /nfs/dbraw/zinc/24/41/59/899244159.db2.gz ONFNTPJPEBBQAU-NZQKXSOJSA-N 1 0 421.541 4.386 20 5 HIBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000483731720 899391359 /nfs/dbraw/zinc/39/13/59/899391359.db2.gz PWSIGIMMVGPVIG-XUVXKRRUSA-N 1 0 417.893 4.475 20 5 HIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483848321 899529405 /nfs/dbraw/zinc/52/94/05/899529405.db2.gz QXPUWAVHGFLVQT-UHFFFAOYSA-N 1 0 405.401 4.434 20 5 HIBDRO COc1ccccc1-c1nc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000484325089 899880908 /nfs/dbraw/zinc/88/09/08/899880908.db2.gz WMVXGHUWSIJXKU-UHFFFAOYSA-N 1 0 408.458 4.076 20 5 HIBDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC[C@H]2CCOC2)c1 ZINC000484633195 900083611 /nfs/dbraw/zinc/08/36/11/900083611.db2.gz OSXAEZPCEJNYNY-AVRDEDQJSA-N 1 0 410.514 4.429 20 5 HIBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[N@@H+]1C ZINC000485385584 900682018 /nfs/dbraw/zinc/68/20/18/900682018.db2.gz RPKBNFRIRRDSOX-HOCLYGCPSA-N 1 0 416.909 4.073 20 5 HIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000485754724 901011912 /nfs/dbraw/zinc/01/19/12/901011912.db2.gz MEVURAXTBVOFRY-UHFFFAOYSA-N 1 0 403.504 4.290 20 5 HIBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3c(F)cccc3F)CC2)cccc1[N+](=O)[O-] ZINC000485855613 901098593 /nfs/dbraw/zinc/09/85/93/901098593.db2.gz CNHOAUYLTXBTFX-UHFFFAOYSA-N 1 0 403.429 4.390 20 5 HIBDRO CSc1cccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000485894205 901127396 /nfs/dbraw/zinc/12/73/96/901127396.db2.gz AEWWPCSSIVQYFJ-LBPRGKRZSA-N 1 0 406.533 4.257 20 5 HIBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000485996265 901212658 /nfs/dbraw/zinc/21/26/58/901212658.db2.gz PWLKGWBPMOYKNJ-UHFFFAOYSA-N 1 0 417.456 4.108 20 5 HIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486213337 901397605 /nfs/dbraw/zinc/39/76/05/901397605.db2.gz GSHZEKBBNNOIOD-UHFFFAOYSA-N 1 0 418.925 4.130 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1SC ZINC000505906926 914549456 /nfs/dbraw/zinc/54/94/56/914549456.db2.gz QHXGOSZKCRGLTC-HZPDHXFCSA-N 1 0 421.563 4.052 20 5 HIBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000505907727 914551442 /nfs/dbraw/zinc/55/14/42/914551442.db2.gz PRHRUTBIZZUUBY-UHFFFAOYSA-N 1 0 411.502 4.382 20 5 HIBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CC[C@H]21 ZINC000488467206 902839979 /nfs/dbraw/zinc/83/99/79/902839979.db2.gz WWQUQOPGZOORRB-DYESRHJHSA-N 1 0 411.527 4.302 20 5 HIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCN2CCSCC2)cc1 ZINC000489071954 903174870 /nfs/dbraw/zinc/17/48/70/903174870.db2.gz SHKXOQLUDKUGGE-UHFFFAOYSA-N 1 0 407.923 4.179 20 5 HIBDRO Cc1ccc([C@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000489196599 903257276 /nfs/dbraw/zinc/25/72/76/903257276.db2.gz KJKWJSXFJLINPA-QFIPXVFZSA-N 1 0 410.518 4.290 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489486771 903415317 /nfs/dbraw/zinc/41/53/17/903415317.db2.gz SIGWVAXBTZMKKD-PXNSSMCTSA-N 1 0 410.518 4.040 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489509331 903429914 /nfs/dbraw/zinc/42/99/14/903429914.db2.gz GRQRSOPVFYBIHB-AUSIDOKSSA-N 1 0 424.545 4.425 20 5 HIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000489869445 903641611 /nfs/dbraw/zinc/64/16/11/903641611.db2.gz FKHIKQGOGCSEGH-QZTJIDSGSA-N 1 0 402.539 4.027 20 5 HIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342799 903935459 /nfs/dbraw/zinc/93/54/59/903935459.db2.gz VOPJFRRTFNDWFS-ZIAGYGMSSA-N 1 0 404.479 4.353 20 5 HIBDRO COc1ccc(NC(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl ZINC000490788251 904233797 /nfs/dbraw/zinc/23/37/97/904233797.db2.gz BHQHLLDYCJAROS-UHFFFAOYSA-N 1 0 403.866 4.250 20 5 HIBDRO C[C@@H](OC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830267 904273392 /nfs/dbraw/zinc/27/33/92/904273392.db2.gz WNSNEIVCVFASNW-VFNWGFHPSA-N 1 0 404.894 4.351 20 5 HIBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000491021999 904373874 /nfs/dbraw/zinc/37/38/74/904373874.db2.gz RADOTJJEUVJIMN-UHFFFAOYSA-N 1 0 410.518 4.454 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc5ccccn54)C3)o2)cc1 ZINC000506136482 914818530 /nfs/dbraw/zinc/81/85/30/914818530.db2.gz KSMDCRXMJZBCBE-QGZVFWFLSA-N 1 0 403.442 4.277 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)o1 ZINC000506146689 914823387 /nfs/dbraw/zinc/82/33/87/914823387.db2.gz FFEHOTZZFFRQFQ-INIZCTEOSA-N 1 0 403.442 4.277 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)o1 ZINC000506146690 914823447 /nfs/dbraw/zinc/82/34/47/914823447.db2.gz FFEHOTZZFFRQFQ-MRXNPFEDSA-N 1 0 403.442 4.277 20 5 HIBDRO CCOc1cc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)ccc1[N+](=O)[O-] ZINC000491767875 904695153 /nfs/dbraw/zinc/69/51/53/904695153.db2.gz WRNSTVLCPHCCLJ-LLVKDONJSA-N 1 0 400.401 4.220 20 5 HIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000506182836 914836658 /nfs/dbraw/zinc/83/66/58/914836658.db2.gz MQWNLESPRBJINI-UHFFFAOYSA-N 1 0 405.564 4.481 20 5 HIBDRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493210872 905052474 /nfs/dbraw/zinc/05/24/74/905052474.db2.gz NOVKJEOJUGDYCV-LBPRGKRZSA-N 1 0 409.273 4.147 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c([N+](=O)[O-])c2)cc1 ZINC000493637051 905178313 /nfs/dbraw/zinc/17/83/13/905178313.db2.gz URSBYVKULOKETB-ICSRJNTNSA-N 1 0 408.502 4.076 20 5 HIBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000512416465 921144971 /nfs/dbraw/zinc/14/49/71/921144971.db2.gz UIPZGNRMJBHISU-MRXNPFEDSA-N 1 0 401.532 4.452 20 5 HIBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000512455843 921173359 /nfs/dbraw/zinc/17/33/59/921173359.db2.gz JAWCRXVELCOVPC-INIZCTEOSA-N 1 0 401.532 4.308 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494495220 905781853 /nfs/dbraw/zinc/78/18/53/905781853.db2.gz MPNDEFUNTRGOJG-OAHLLOKOSA-N 1 0 424.432 4.428 20 5 HIBDRO COc1cc(C[NH2+]CC(C)(C)c2cccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494635020 905875749 /nfs/dbraw/zinc/87/57/49/905875749.db2.gz SNVOJCOJGYNDEE-UHFFFAOYSA-N 1 0 400.447 4.376 20 5 HIBDRO O=C1C[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000495045005 906201034 /nfs/dbraw/zinc/20/10/34/906201034.db2.gz GWTRIQSPVXJROZ-NBGIEHNGSA-N 1 0 415.493 4.323 20 5 HIBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[C@H]2C1 ZINC000495092896 906233257 /nfs/dbraw/zinc/23/32/57/906233257.db2.gz YGAIHXQRSMCHSC-UGSOOPFHSA-N 1 0 420.307 4.143 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000495173555 906287438 /nfs/dbraw/zinc/28/74/38/906287438.db2.gz KNVLQGBOVCNDPQ-JTSKRJEESA-N 1 0 406.486 4.088 20 5 HIBDRO COc1cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000495181262 906290854 /nfs/dbraw/zinc/29/08/54/906290854.db2.gz PVBAVYUJMUSOMF-IBGZPJMESA-N 1 0 400.475 4.230 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)CSc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000512570920 921243318 /nfs/dbraw/zinc/24/33/18/921243318.db2.gz XDORDNOUNANDOU-HKUYNNGSSA-N 1 0 413.543 4.104 20 5 HIBDRO COc1cc(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OC ZINC000512683665 921286572 /nfs/dbraw/zinc/28/65/72/921286572.db2.gz VSUQSABCRFPHLY-UHFFFAOYSA-N 1 0 411.458 4.332 20 5 HIBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497781387 907274725 /nfs/dbraw/zinc/27/47/25/907274725.db2.gz MTCDSTBYUSGYKB-UHFFFAOYSA-N 1 0 404.470 4.059 20 5 HIBDRO CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952382 907421437 /nfs/dbraw/zinc/42/14/37/907421437.db2.gz OLCQVCKCLUPNPN-YLJYHZDGSA-N 1 0 411.502 4.291 20 5 HIBDRO CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952375 907421562 /nfs/dbraw/zinc/42/15/62/907421562.db2.gz OLCQVCKCLUPNPN-PXNSSMCTSA-N 1 0 411.502 4.291 20 5 HIBDRO CC1CC[NH+](C2CCC(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000498290977 907822230 /nfs/dbraw/zinc/82/22/30/907822230.db2.gz CTEKXPGVPTZCQH-UHFFFAOYSA-N 1 0 422.957 4.133 20 5 HIBDRO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[N@@H+]1Cc1ccccc1 ZINC000498416579 907891648 /nfs/dbraw/zinc/89/16/48/907891648.db2.gz CMNCXDFGCUHLPN-HKUYNNGSSA-N 1 0 418.497 4.174 20 5 HIBDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC[N@@H+]2C2CC2)c1 ZINC000498559361 908020418 /nfs/dbraw/zinc/02/04/18/908020418.db2.gz IIMQDAQTGNBJAN-CTNGQTDRSA-N 1 0 410.474 4.011 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000512903898 921396585 /nfs/dbraw/zinc/39/65/85/921396585.db2.gz JDXXRWZBKYRNOF-CYBMUJFWSA-N 1 0 424.906 4.096 20 5 HIBDRO CC[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000499125018 908481570 /nfs/dbraw/zinc/48/15/70/908481570.db2.gz YQDOFERDOIWZGX-LADGPHEKSA-N 1 0 422.529 4.354 20 5 HIBDRO C[C@@H]([NH2+]C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCC1)c1ccccc1 ZINC000499913082 909028661 /nfs/dbraw/zinc/02/86/61/909028661.db2.gz HXFRVDRCBAJGLV-MRXNPFEDSA-N 1 0 406.486 4.470 20 5 HIBDRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000500085744 909563921 /nfs/dbraw/zinc/56/39/21/909563921.db2.gz BAEGPRTZQCRJKY-UHFFFAOYSA-N 1 0 415.490 4.241 20 5 HIBDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000513090503 921541362 /nfs/dbraw/zinc/54/13/62/921541362.db2.gz UZJFLVHFIHSWBH-HHHXNRCGSA-N 1 0 400.525 4.492 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000500704515 910032986 /nfs/dbraw/zinc/03/29/86/910032986.db2.gz YGEFPVSQFNHMRH-OALUTQOASA-N 1 0 424.545 4.414 20 5 HIBDRO O=C(CC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501012699 910233941 /nfs/dbraw/zinc/23/39/41/910233941.db2.gz WNAYPINONCJQRM-HNNXBMFYSA-N 1 0 407.392 4.432 20 5 HIBDRO O=C(CC[N@H+](Cc1csc(Br)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501021849 910238754 /nfs/dbraw/zinc/23/87/54/910238754.db2.gz ICCRRFBTIVYVAM-UHFFFAOYSA-N 1 0 424.320 4.412 20 5 HIBDRO CC[NH+](CC)[C@@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])c1ccsc1 ZINC000513171090 921597513 /nfs/dbraw/zinc/59/75/13/921597513.db2.gz MCZMSDGFWFDDBG-IBGZPJMESA-N 1 0 404.536 4.290 20 5 HIBDRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC=Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000501717316 910785384 /nfs/dbraw/zinc/78/53/84/910785384.db2.gz UHFFTQNFYMZLFZ-AJWDXOCTSA-N 1 0 423.517 4.339 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000502531754 911537397 /nfs/dbraw/zinc/53/73/97/911537397.db2.gz VXZHQAHIHCKRQA-OAHLLOKOSA-N 1 0 415.437 4.488 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000502534527 911539768 /nfs/dbraw/zinc/53/97/68/911539768.db2.gz OHRRRFBNDOTXHM-LJQANCHMSA-N 1 0 423.435 4.355 20 5 HIBDRO C[C@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCCOC1 ZINC000502620099 911646339 /nfs/dbraw/zinc/64/63/39/911646339.db2.gz GMBHCHBHHMJJOZ-UVFQYZLESA-N 1 0 417.893 4.333 20 5 HIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506294827 914889972 /nfs/dbraw/zinc/88/99/72/914889972.db2.gz LHRWXYSQLIRCEY-DZGCQCFKSA-N 1 0 420.416 4.153 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000506304776 914895887 /nfs/dbraw/zinc/89/58/87/914895887.db2.gz KQENTQZQHNENRO-SFHVURJKSA-N 1 0 402.539 4.262 20 5 HIBDRO COc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000506560328 915205381 /nfs/dbraw/zinc/20/53/81/915205381.db2.gz IVCAALCPXWMDKP-GOSISDBHSA-N 1 0 412.486 4.183 20 5 HIBDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000506617023 915272545 /nfs/dbraw/zinc/27/25/45/915272545.db2.gz HMBJUBZIXYDPSA-FQEVSTJZSA-N 1 0 422.485 4.350 20 5 HIBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507121671 915878557 /nfs/dbraw/zinc/87/85/57/915878557.db2.gz PWNLBYXSCDBRBF-UHFFFAOYSA-N 1 0 401.894 4.029 20 5 HIBDRO CC(C)[N@H+](Cc1cnc2ccc(Br)cn12)Cc1ccc([N+](=O)[O-])cc1 ZINC000507151100 915892627 /nfs/dbraw/zinc/89/26/27/915892627.db2.gz ABEPGHCEFQJNFM-UHFFFAOYSA-N 1 0 403.280 4.416 20 5 HIBDRO COCC1CC[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000513442793 921809442 /nfs/dbraw/zinc/80/94/42/921809442.db2.gz JYQALGJXOKIRDZ-UHFFFAOYSA-N 1 0 400.475 4.041 20 5 HIBDRO CCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000507554370 916310703 /nfs/dbraw/zinc/31/07/03/916310703.db2.gz UXZDGQQUGITOPY-ZIAGYGMSSA-N 1 0 403.504 4.393 20 5 HIBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000507602500 916358426 /nfs/dbraw/zinc/35/84/26/916358426.db2.gz QOCRSVVQUDNIPK-UHFFFAOYSA-N 1 0 418.457 4.100 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1 ZINC000507938152 916807744 /nfs/dbraw/zinc/80/77/44/916807744.db2.gz FQJMTCLDJIGHHT-HNNXBMFYSA-N 1 0 401.532 4.447 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccccc2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000508051398 916876819 /nfs/dbraw/zinc/87/68/19/916876819.db2.gz DMCGXKHWQIUXSY-UHFFFAOYSA-N 1 0 408.454 4.220 20 5 HIBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2Cc2ccc(Br)cc2)c(F)c1 ZINC000508487731 917272393 /nfs/dbraw/zinc/27/23/93/917272393.db2.gz LPZKHXOSDUJNCV-UHFFFAOYSA-N 1 0 405.227 4.353 20 5 HIBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508582824 917353041 /nfs/dbraw/zinc/35/30/41/917353041.db2.gz NYXCZPRVBLKCRE-UKRRQHHQSA-N 1 0 403.866 4.126 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3cncn3)o2)c(Cl)c1 ZINC000508723906 917485935 /nfs/dbraw/zinc/48/59/35/917485935.db2.gz MKIXVCXBDGWLFW-UHFFFAOYSA-N 1 0 423.860 4.438 20 5 HIBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cccc21 ZINC000509365994 918029595 /nfs/dbraw/zinc/02/95/95/918029595.db2.gz MCMLGLZHHIPQMT-INIZCTEOSA-N 1 0 409.364 4.251 20 5 HIBDRO CCc1ccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[NH+](C)C)cc1 ZINC000509369146 918034129 /nfs/dbraw/zinc/03/41/29/918034129.db2.gz BTXAKPKPDOUXJV-QFIPXVFZSA-N 1 0 412.534 4.380 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000509413602 918075915 /nfs/dbraw/zinc/07/59/15/918075915.db2.gz AGJJWXBPSPSKMC-FQEVSTJZSA-N 1 0 414.506 4.335 20 5 HIBDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000509578594 918227826 /nfs/dbraw/zinc/22/78/26/918227826.db2.gz IOPHGYIOHKICLW-UHFFFAOYSA-N 1 0 424.545 4.442 20 5 HIBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2cc(C)nc3c2cccc3[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000509615150 918263269 /nfs/dbraw/zinc/26/32/69/918263269.db2.gz DGEKWFDZSIZZBR-GAJHUEQPSA-N 1 0 422.533 4.094 20 5 HIBDRO COc1cc(CNCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509615207 918264118 /nfs/dbraw/zinc/26/41/18/918264118.db2.gz DBLZNWCKVZRCRB-SFHVURJKSA-N 1 0 413.518 4.146 20 5 HIBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000509691816 918323180 /nfs/dbraw/zinc/32/31/80/918323180.db2.gz FEQLEPIHEJYGTB-XEZPLFJOSA-N 1 0 424.339 4.143 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000510099614 918663142 /nfs/dbraw/zinc/66/31/42/918663142.db2.gz PFADXKOOIOZQLZ-WMZOPIPTSA-N 1 0 413.543 4.347 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000510114809 918676208 /nfs/dbraw/zinc/67/62/08/918676208.db2.gz AEHSJZVASXNYLK-FUHWJXTLSA-N 1 0 415.921 4.208 20 5 HIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000510555941 918999186 /nfs/dbraw/zinc/99/91/86/918999186.db2.gz WPIQLRBXFMHGSP-MGPUTAFESA-N 1 0 401.482 4.128 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510554527 918999344 /nfs/dbraw/zinc/99/93/44/918999344.db2.gz QYRJGFIYTUSDHQ-IBGZPJMESA-N 1 0 422.485 4.285 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000510827506 919308079 /nfs/dbraw/zinc/30/80/79/919308079.db2.gz VSNLTGHSRJKPGM-LJQANCHMSA-N 1 0 424.545 4.353 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000510827505 919308452 /nfs/dbraw/zinc/30/84/52/919308452.db2.gz VSNLTGHSRJKPGM-IBGZPJMESA-N 1 0 424.545 4.353 20 5 HIBDRO C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000510987503 919541752 /nfs/dbraw/zinc/54/17/52/919541752.db2.gz RZPCAXSTUOTLHD-OAHLLOKOSA-N 1 0 420.498 4.192 20 5 HIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511233766 919838485 /nfs/dbraw/zinc/83/84/85/919838485.db2.gz MYQPRZAJKYBAMC-IEBWSBKVSA-N 1 0 402.539 4.168 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000511279986 919875688 /nfs/dbraw/zinc/87/56/88/919875688.db2.gz XUIIIULMAJCMQQ-UHFFFAOYSA-N 1 0 403.482 4.499 20 5 HIBDRO CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000511435179 920045782 /nfs/dbraw/zinc/04/57/82/920045782.db2.gz AVADPDVQWVQJIO-UHFFFAOYSA-N 1 0 424.545 4.211 20 5 HIBDRO COc1ccc([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[NH+]2CCCCC2)cc1 ZINC000512042112 920812986 /nfs/dbraw/zinc/81/29/86/920812986.db2.gz SNXSFFJVRBLHMO-OAQYLSRUSA-N 1 0 422.485 4.042 20 5 HIBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000512192249 920935149 /nfs/dbraw/zinc/93/51/49/920935149.db2.gz ATZCVRWIASIIQU-HNNXBMFYSA-N 1 0 403.866 4.270 20 5 HIBDRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000512214767 920962727 /nfs/dbraw/zinc/96/27/27/920962727.db2.gz UJBNJTIWFMGEHR-UHFFFAOYSA-N 1 0 401.532 4.404 20 5 HIBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512232734 920985939 /nfs/dbraw/zinc/98/59/39/920985939.db2.gz DWSITNBDPQGLAW-INIZCTEOSA-N 1 0 408.380 4.010 20 5 HIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@@H]1CCCOC1 ZINC000513457431 921822189 /nfs/dbraw/zinc/82/21/89/921822189.db2.gz XEAKZMKPUYSRGI-ZDUSSCGKSA-N 1 0 409.280 4.476 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000513519030 921864175 /nfs/dbraw/zinc/86/41/75/921864175.db2.gz OHORHMDVRHWZRO-IBGZPJMESA-N 1 0 403.486 4.126 20 5 HIBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]C[C@H]3COCCO3)cc2[N+](=O)[O-])cc1 ZINC000513612527 921942121 /nfs/dbraw/zinc/94/21/21/921942121.db2.gz BXAXNRTVQFAUNE-IBGZPJMESA-N 1 0 400.475 4.190 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@H]3COCCO3)cc2[N+](=O)[O-])c1 ZINC000513642543 921966648 /nfs/dbraw/zinc/96/66/48/921966648.db2.gz IFOZDHXQAGAHIU-SFHVURJKSA-N 1 0 400.475 4.324 20 5 HIBDRO CC[NH+](CC)[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513761808 922080290 /nfs/dbraw/zinc/08/02/90/922080290.db2.gz OWQDNOGLPHIVJW-VXKWHMMOSA-N 1 0 407.518 4.090 20 5 HIBDRO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513787245 922112138 /nfs/dbraw/zinc/11/21/38/922112138.db2.gz VVEGQMGOSOEXFS-DENIHFKCSA-N 1 0 407.514 4.200 20 5 HIBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000513787000 922112186 /nfs/dbraw/zinc/11/21/86/922112186.db2.gz RGPNBDKTJFFZFH-PMVMPFDFSA-N 1 0 421.541 4.129 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000513823592 922147718 /nfs/dbraw/zinc/14/77/18/922147718.db2.gz XCQMXOKMKDDOTE-WIYYLYMNSA-N 1 0 411.502 4.049 20 5 HIBDRO COC1CCN(C2(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000513832148 922159746 /nfs/dbraw/zinc/15/97/46/922159746.db2.gz DMZQDDHFKDOPMP-SIKLNZKXSA-N 1 0 415.578 4.319 20 5 HIBDRO CC[NH+](CC)Cc1cccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000514103590 922432869 /nfs/dbraw/zinc/43/28/69/922432869.db2.gz CSFCSJZDYHCAPA-JOCHJYFZSA-N 1 0 407.518 4.049 20 5 HIBDRO CC1CC[NH+](CCCCNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000515427259 923095381 /nfs/dbraw/zinc/09/53/81/923095381.db2.gz WQHLUUKTKNGBBB-LJQANCHMSA-N 1 0 416.566 4.073 20 5 HIBDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000515509250 923143524 /nfs/dbraw/zinc/14/35/24/923143524.db2.gz STCFSQWXSVEPMV-ZWKOTPCHSA-N 1 0 410.518 4.387 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@H](C)O1 ZINC000515546472 923167779 /nfs/dbraw/zinc/16/77/79/923167779.db2.gz WQKRYYVNRVBREJ-CALCHBBNSA-N 1 0 406.486 4.364 20 5 HIBDRO O=[N+]([O-])c1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(-c2cccs2)c1 ZINC000516320655 923661973 /nfs/dbraw/zinc/66/19/73/923661973.db2.gz WKHAGRWIVDKQCR-LJQANCHMSA-N 1 0 410.495 4.121 20 5 HIBDRO CC[NH+](CC)Cc1ccccc1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000516795861 923889775 /nfs/dbraw/zinc/88/97/75/923889775.db2.gz MFJGFRIEQKZEAQ-QFIPXVFZSA-N 1 0 407.518 4.049 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000516858896 923918785 /nfs/dbraw/zinc/91/87/85/923918785.db2.gz ITYRIWGEWXFHHN-SFHVURJKSA-N 1 0 416.449 4.344 20 5 HIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000518088936 927014680 /nfs/dbraw/zinc/01/46/80/927014680.db2.gz HPVBWMGPSQAQBN-SFHVURJKSA-N 1 0 405.564 4.433 20 5 HIBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000518125064 927034548 /nfs/dbraw/zinc/03/45/48/927034548.db2.gz GFMMKILPNXWVDK-AWEZNQCLSA-N 1 0 403.866 4.112 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4cccc(C[NH+]5CCCCC5)c4)no3)c2c1 ZINC000518342605 927208838 /nfs/dbraw/zinc/20/88/38/927208838.db2.gz ZTWFPIQLTLNPIK-UHFFFAOYSA-N 1 0 404.430 4.174 20 5 HIBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518377489 927230097 /nfs/dbraw/zinc/23/00/97/927230097.db2.gz COXBBKXZOJXWTA-UHFFFAOYSA-N 1 0 415.881 4.192 20 5 HIBDRO CC1CC[NH+]([C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000518708185 927447815 /nfs/dbraw/zinc/44/78/15/927447815.db2.gz BBPAUZCVPZJVSM-GOSISDBHSA-N 1 0 417.531 4.015 20 5 HIBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)C2 ZINC000520952281 928887874 /nfs/dbraw/zinc/88/78/74/928887874.db2.gz MCAXGPOUHAXQTJ-LJQANCHMSA-N 1 0 403.486 4.108 20 5 HIBDRO C[N@H+](CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000520960201 928890632 /nfs/dbraw/zinc/89/06/32/928890632.db2.gz QBBQULCCJJYJJR-UHFFFAOYSA-N 1 0 419.529 4.412 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)COc3ccc(F)c(F)c3)s2)cc1 ZINC000521829173 929482535 /nfs/dbraw/zinc/48/25/35/929482535.db2.gz ULGHAJRZVVEYKS-OAHLLOKOSA-N 1 0 420.437 4.131 20 5 HIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000524606201 929715823 /nfs/dbraw/zinc/71/58/23/929715823.db2.gz WIQSDSIYUIJJBR-UHFFFAOYSA-N 1 0 404.264 4.205 20 5 HIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000524945196 929906770 /nfs/dbraw/zinc/90/67/70/929906770.db2.gz ONZDORKERQHSAV-UUOWRZLLSA-N 1 0 421.497 4.234 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525320872 930159935 /nfs/dbraw/zinc/15/99/35/930159935.db2.gz MBDZQPLASBHFOF-LJQANCHMSA-N 1 0 424.545 4.442 20 5 HIBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000525353747 930191504 /nfs/dbraw/zinc/19/15/04/930191504.db2.gz DESZLHJRIARIOK-NRFANRHFSA-N 1 0 416.566 4.215 20 5 HIBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000525621280 930367857 /nfs/dbraw/zinc/36/78/57/930367857.db2.gz PZURWQDXPAQXCG-LAUBAEHRSA-N 1 0 410.518 4.009 20 5 HIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000525795312 930447077 /nfs/dbraw/zinc/44/70/77/930447077.db2.gz XBXDOIMCIRDTHO-NRFANRHFSA-N 1 0 422.481 4.031 20 5 HIBDRO COc1ccc(C[NH2+]CC2CCC(OC)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530694886 930800586 /nfs/dbraw/zinc/80/05/86/930800586.db2.gz RBJUEAZGTRZOTK-UHFFFAOYSA-N 1 0 414.502 4.477 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000531692065 931156374 /nfs/dbraw/zinc/15/63/74/931156374.db2.gz FJTMZMZYFLUXOC-DLBZAZTESA-N 1 0 419.547 4.346 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCN(c4ncccc4Cl)C3)cs2)c1 ZINC000531811060 931205322 /nfs/dbraw/zinc/20/53/22/931205322.db2.gz VSWVKNFARIVJEV-CQSZACIVSA-N 1 0 415.906 4.135 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531955436 931263833 /nfs/dbraw/zinc/26/38/33/931263833.db2.gz DKPIBADTFXWYJJ-UWJYYQICSA-N 1 0 411.502 4.398 20 5 HIBDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532203024 931348108 /nfs/dbraw/zinc/34/81/08/931348108.db2.gz BQEVBVVPTRGSJI-DLBZAZTESA-N 1 0 419.547 4.346 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000532810012 931635379 /nfs/dbraw/zinc/63/53/79/931635379.db2.gz XRVUZXQUXGSQHN-INIZCTEOSA-N 1 0 420.531 4.342 20 5 HIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532950639 931709202 /nfs/dbraw/zinc/70/92/02/931709202.db2.gz XXQKLTKMGVFWAZ-QZTJIDSGSA-N 1 0 413.522 4.294 20 5 HIBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532980283 931724587 /nfs/dbraw/zinc/72/45/87/931724587.db2.gz LZXXLSOCGRMHPD-CQSZACIVSA-N 1 0 403.866 4.109 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000533047759 931753144 /nfs/dbraw/zinc/75/31/44/931753144.db2.gz NNULPAFQEYPGGT-MRXNPFEDSA-N 1 0 412.421 4.042 20 5 HIBDRO COc1ccc(C[NH2+]CCc2ccncc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533179154 931803082 /nfs/dbraw/zinc/80/30/82/931803082.db2.gz XSUDHJHDHYITSW-UHFFFAOYSA-N 1 0 407.470 4.218 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000533427477 931865885 /nfs/dbraw/zinc/86/58/85/931865885.db2.gz SWHPWJFYPZKCGQ-QVKFZJNVSA-N 1 0 415.515 4.111 20 5 HIBDRO COc1ccc(NC(=O)CC[NH+]2CCC(=Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000534537918 932550937 /nfs/dbraw/zinc/55/09/37/932550937.db2.gz PKTUQJQWNPNQIE-UHFFFAOYSA-N 1 0 413.449 4.251 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(CNc3ccccc3C[NH+]3CCC(CO)CC3)co2)cc1 ZINC000534794170 932774571 /nfs/dbraw/zinc/77/45/71/932774571.db2.gz MPJANQQCOJCKJK-UHFFFAOYSA-N 1 0 422.485 4.066 20 5 HIBDRO CCC1([NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CCOCC1 ZINC000534903017 932830991 /nfs/dbraw/zinc/83/09/91/932830991.db2.gz LXCNKHLUYZUDIU-UHFFFAOYSA-N 1 0 400.475 4.231 20 5 HIBDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000535115189 932931832 /nfs/dbraw/zinc/93/18/32/932931832.db2.gz DLLQEDFSEOQJAE-RYGJVYDSSA-N 1 0 417.893 4.021 20 5 HIBDRO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-n2ccnn2)cc1 ZINC000535185927 933001655 /nfs/dbraw/zinc/00/16/55/933001655.db2.gz PELBKUNHKMPBAZ-CQSZACIVSA-N 1 0 406.471 4.150 20 5 HIBDRO COc1ccccc1-c1ccc([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000535584867 933255804 /nfs/dbraw/zinc/25/58/04/933255804.db2.gz UTDSLBJXCCQLFF-KRWDZBQOSA-N 1 0 407.470 4.125 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535668488 933313563 /nfs/dbraw/zinc/31/35/63/933313563.db2.gz MEEYNUDIDYANCU-UHFFFAOYSA-N 1 0 419.481 4.469 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCCCC1 ZINC000535675448 933325502 /nfs/dbraw/zinc/32/55/02/933325502.db2.gz KFZJQBZQEJBPRJ-HXUWFJFHSA-N 1 0 422.485 4.042 20 5 HIBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682025 933334604 /nfs/dbraw/zinc/33/46/04/933334604.db2.gz UPUVLKLUDCSWSP-IFXJQAMLSA-N 1 0 405.857 4.119 20 5 HIBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C(C)C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535799329 933395284 /nfs/dbraw/zinc/39/52/84/933395284.db2.gz LAEWTUVXSMBDFH-LJQANCHMSA-N 1 0 416.522 4.055 20 5 HIBDRO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799059 933395545 /nfs/dbraw/zinc/39/55/45/933395545.db2.gz AKTCJCPOCCBKPP-AZUAARDMSA-N 1 0 412.486 4.183 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(-n4cncn4)c3)o2)c(Cl)c1 ZINC000537298106 933703558 /nfs/dbraw/zinc/70/35/58/933703558.db2.gz ATSAPLFFIGCAQI-UHFFFAOYSA-N 1 0 409.833 4.379 20 5 HIBDRO CC1CCN([C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000562739244 945110368 /nfs/dbraw/zinc/11/03/68/945110368.db2.gz TVJMOGPQQDCXNL-IBGZPJMESA-N 1 0 416.547 4.048 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c1 ZINC000562754897 945116017 /nfs/dbraw/zinc/11/60/17/945116017.db2.gz VMMCIRJITPCZLL-UHFFFAOYSA-N 1 0 415.515 4.103 20 5 HIBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000537660867 938348976 /nfs/dbraw/zinc/34/89/76/938348976.db2.gz JYJRSEZZYIDPDD-IBGZPJMESA-N 1 0 400.475 4.041 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537918665 938413310 /nfs/dbraw/zinc/41/33/10/938413310.db2.gz CZJUQGCMCFUZFC-SJORKVTESA-N 1 0 417.531 4.181 20 5 HIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000537967823 938438971 /nfs/dbraw/zinc/43/89/71/938438971.db2.gz BXZKSOTTZWRHBC-MRXNPFEDSA-N 1 0 418.515 4.041 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000537969289 938439736 /nfs/dbraw/zinc/43/97/36/938439736.db2.gz SIJZTJKYKHWCAQ-LBPRGKRZSA-N 1 0 411.380 4.129 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000537968524 938439805 /nfs/dbraw/zinc/43/98/05/938439805.db2.gz KKTGJFJONJJJCE-ZIAGYGMSSA-N 1 0 411.487 4.181 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC(F)F ZINC000538151118 938523082 /nfs/dbraw/zinc/52/30/82/938523082.db2.gz JNQMHJWMWKTGKQ-SWLSCSKDSA-N 1 0 423.416 4.273 20 5 HIBDRO CN(C(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000538167547 938532438 /nfs/dbraw/zinc/53/24/38/938532438.db2.gz ONWDPYNXQMSGQS-NRFANRHFSA-N 1 0 423.444 4.107 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000538241532 938571412 /nfs/dbraw/zinc/57/14/12/938571412.db2.gz VVIJGBUFMSEYJI-GFCCVEGCSA-N 1 0 411.380 4.302 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000538279904 938582471 /nfs/dbraw/zinc/58/24/71/938582471.db2.gz MXANDISACCHFAR-ZDUSSCGKSA-N 1 0 406.280 4.263 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccco1 ZINC000538347091 938599660 /nfs/dbraw/zinc/59/96/60/938599660.db2.gz FEZUKGMLZWMCMI-GOSISDBHSA-N 1 0 408.458 4.063 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH+]3CCC4(CNC(=O)C4)CC3)cc2[N+](=O)[O-])cc1 ZINC000538737316 938697751 /nfs/dbraw/zinc/69/77/51/938697751.db2.gz VUWHNROJRVDZHJ-UHFFFAOYSA-N 1 0 411.527 4.157 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000538749866 938700977 /nfs/dbraw/zinc/70/09/77/938700977.db2.gz KNMONQLRTMEKLZ-WOJBJXKFSA-N 1 0 418.497 4.306 20 5 HIBDRO CN(c1ccccc1)c1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000538795315 938714145 /nfs/dbraw/zinc/71/41/45/938714145.db2.gz URNXSCTZHBXUEA-BGWNEDDSSA-N 1 0 424.545 4.046 20 5 HIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H]1CCC[C@H]1O ZINC000538811693 938718964 /nfs/dbraw/zinc/71/89/64/938718964.db2.gz BNMLMBHFUXYJOL-SJKOYZFVSA-N 1 0 409.280 4.210 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539091570 938801309 /nfs/dbraw/zinc/80/13/09/938801309.db2.gz WWXXSVNFGOMWET-HOIFWPIMSA-N 1 0 411.502 4.085 20 5 HIBDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539091571 938801383 /nfs/dbraw/zinc/80/13/83/938801383.db2.gz WWXXSVNFGOMWET-HYFFOGBASA-N 1 0 411.502 4.085 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000539244329 938824838 /nfs/dbraw/zinc/82/48/38/938824838.db2.gz RCRWFPXLYPIOFS-GFCCVEGCSA-N 1 0 422.279 4.045 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000539254461 938827493 /nfs/dbraw/zinc/82/74/93/938827493.db2.gz QURORWIZTFHYAT-FXAWDEMLSA-N 1 0 411.502 4.398 20 5 HIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000539265600 938829792 /nfs/dbraw/zinc/82/97/92/938829792.db2.gz SGRZUCZFBJAISC-HNNXBMFYSA-N 1 0 401.463 4.070 20 5 HIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000539297879 938836113 /nfs/dbraw/zinc/83/61/13/938836113.db2.gz UEPZTVZWINVCRT-KUHUBIRLSA-N 1 0 408.401 4.072 20 5 HIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000539327793 938842476 /nfs/dbraw/zinc/84/24/76/938842476.db2.gz DUMLSCIUWLPBJM-AWEZNQCLSA-N 1 0 401.438 4.202 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000539338432 938844751 /nfs/dbraw/zinc/84/47/51/938844751.db2.gz QPQMFLBIBRDHFR-UHFFFAOYSA-N 1 0 413.543 4.274 20 5 HIBDRO CC[NH+](CC)CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)c1cccc(C(F)(F)F)c1 ZINC000539375162 938851016 /nfs/dbraw/zinc/85/10/16/938851016.db2.gz NTPRERKDDWNRKK-UHFFFAOYSA-N 1 0 424.423 4.306 20 5 HIBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539527468 938873643 /nfs/dbraw/zinc/87/36/43/938873643.db2.gz MHTRJLDDQCRTER-HXOBKFHXSA-N 1 0 417.513 4.020 20 5 HIBDRO Cn1cc(CNc2cccc(CC[NH+]3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539530444 938873972 /nfs/dbraw/zinc/87/39/72/938873972.db2.gz UJZAQGMEMNRGTD-UHFFFAOYSA-N 1 0 405.502 4.246 20 5 HIBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000539827088 938947891 /nfs/dbraw/zinc/94/78/91/938947891.db2.gz YFEZEHXVTWALOM-HXUWFJFHSA-N 1 0 414.502 4.431 20 5 HIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000539840149 938954244 /nfs/dbraw/zinc/95/42/44/938954244.db2.gz GTZYEUURWMRGGJ-KRWDZBQOSA-N 1 0 401.532 4.224 20 5 HIBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924222 938978080 /nfs/dbraw/zinc/97/80/80/938978080.db2.gz WLPGDNZDVYYHLT-VQIMIIECSA-N 1 0 413.449 4.017 20 5 HIBDRO C[C@H]1C[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000539977566 939028604 /nfs/dbraw/zinc/02/86/04/939028604.db2.gz JFPAKINWJPPMAG-ROUUACIJSA-N 1 0 406.486 4.352 20 5 HIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000540119054 939079827 /nfs/dbraw/zinc/07/98/27/939079827.db2.gz DAKRHAGMYHAGOJ-IBGZPJMESA-N 1 0 409.530 4.129 20 5 HIBDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000540140254 939087798 /nfs/dbraw/zinc/08/77/98/939087798.db2.gz LUHSHQPGIPFIGP-FBBABVLZSA-N 1 0 416.543 4.148 20 5 HIBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540203329 939125448 /nfs/dbraw/zinc/12/54/48/939125448.db2.gz SYGNZIZORLRNID-NRFANRHFSA-N 1 0 416.481 4.224 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540328200 939196270 /nfs/dbraw/zinc/19/62/70/939196270.db2.gz WAZSOQWCCRQBHH-KRWDZBQOSA-N 1 0 420.469 4.167 20 5 HIBDRO Cc1nc(-c2ccc([C@H](C)[NH2+]CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)cs1 ZINC000540350722 939202437 /nfs/dbraw/zinc/20/24/37/939202437.db2.gz CEOZAJDCURTXBU-AWEZNQCLSA-N 1 0 422.510 4.267 20 5 HIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000540352514 939204403 /nfs/dbraw/zinc/20/44/03/939204403.db2.gz OMSSAIUYIIETFA-YOEHRIQHSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]1CN([C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000540529976 939291447 /nfs/dbraw/zinc/29/14/47/939291447.db2.gz QDYLFQHUJRXUJR-MLGOLLRUSA-N 1 0 413.902 4.000 20 5 HIBDRO COc1cc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc(Br)c1OC ZINC000540604258 939316990 /nfs/dbraw/zinc/31/69/90/939316990.db2.gz ZOCPJSUNIZMWMT-ALCCZGGFSA-N 1 0 407.264 4.178 20 5 HIBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540753989 939360188 /nfs/dbraw/zinc/36/01/88/939360188.db2.gz UFAFUMOYTXGYFP-MBSDFSHPSA-N 1 0 403.482 4.173 20 5 HIBDRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000541061133 939445596 /nfs/dbraw/zinc/44/55/96/939445596.db2.gz DPPLOBFRTQIDQH-IBGZPJMESA-N 1 0 409.845 4.321 20 5 HIBDRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C)s1 ZINC000541580690 939559369 /nfs/dbraw/zinc/55/93/69/939559369.db2.gz XXJSLEMXCCGSFV-JTQLQIEISA-N 1 0 412.309 4.325 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC[N@@H+]1C ZINC000541584229 939560259 /nfs/dbraw/zinc/56/02/59/939560259.db2.gz ZWLREAZPRWPOMS-NVXWUHKLSA-N 1 0 405.564 4.432 20 5 HIBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541695725 939607321 /nfs/dbraw/zinc/60/73/21/939607321.db2.gz QFRIRMVRPONXDV-QGZVFWFLSA-N 1 0 405.564 4.337 20 5 HIBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC[C@@H]21 ZINC000541726242 939615124 /nfs/dbraw/zinc/61/51/24/939615124.db2.gz KHOKEPWPJPAJRC-PXNSSMCTSA-N 1 0 417.575 4.433 20 5 HIBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)s1 ZINC000541738881 939617829 /nfs/dbraw/zinc/61/78/29/939617829.db2.gz UMGQXNGGNZVTBT-OAHLLOKOSA-N 1 0 416.524 4.448 20 5 HIBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541785245 939629660 /nfs/dbraw/zinc/62/96/60/939629660.db2.gz JXHCQJWTRUUAFR-KPZWWZAWSA-N 1 0 424.835 4.341 20 5 HIBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952539 939660813 /nfs/dbraw/zinc/66/08/13/939660813.db2.gz QHEYNBHXDMAZJQ-HZPDHXFCSA-N 1 0 407.474 4.075 20 5 HIBDRO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000542035499 939694579 /nfs/dbraw/zinc/69/45/79/939694579.db2.gz FUQOGVRBXDVKJV-LPHOPBHVSA-N 1 0 412.490 4.293 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000542092152 939708394 /nfs/dbraw/zinc/70/83/94/939708394.db2.gz BXKIGANHGRECCY-QGZVFWFLSA-N 1 0 407.580 4.436 20 5 HIBDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000542142412 939728532 /nfs/dbraw/zinc/72/85/32/939728532.db2.gz MOPIVNDARFAEIR-CABCVRRESA-N 1 0 410.474 4.011 20 5 HIBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542312492 939796445 /nfs/dbraw/zinc/79/64/45/939796445.db2.gz ZAKMGCDYYHENSA-PKTZIBPZSA-N 1 0 412.486 4.230 20 5 HIBDRO O=[N+]([O-])c1cccc2ncnc(NCCCOC3CC[NH+](Cc4ccccc4)CC3)c21 ZINC000542506660 939834277 /nfs/dbraw/zinc/83/42/77/939834277.db2.gz SRTRGHWIJYDMMJ-UHFFFAOYSA-N 1 0 421.501 4.021 20 5 HIBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000542554670 939842686 /nfs/dbraw/zinc/84/26/86/939842686.db2.gz BZQIFFAZESVILF-SFHVURJKSA-N 1 0 424.522 4.179 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542633914 939850653 /nfs/dbraw/zinc/85/06/53/939850653.db2.gz ULLXFAPYZDLZNO-NQIIRXRSSA-N 1 0 415.465 4.223 20 5 HIBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000542665241 939852565 /nfs/dbraw/zinc/85/25/65/939852565.db2.gz HZLBCIYEJOTIST-KRWDZBQOSA-N 1 0 417.314 4.416 20 5 HIBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000542665244 939852658 /nfs/dbraw/zinc/85/26/58/939852658.db2.gz HZLBCIYEJOTIST-QGZVFWFLSA-N 1 0 417.314 4.416 20 5 HIBDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000543185459 939989421 /nfs/dbraw/zinc/98/94/21/939989421.db2.gz NKYOENJBGIFBBS-PXNSSMCTSA-N 1 0 422.481 4.361 20 5 HIBDRO Cc1ncc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000543239303 940005189 /nfs/dbraw/zinc/00/51/89/940005189.db2.gz UZWKBKKGACJSNK-UHFFFAOYSA-N 1 0 400.822 4.134 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(OC[C@H]4CCOC4)CC3)s2)cc1 ZINC000543414767 940057871 /nfs/dbraw/zinc/05/78/71/940057871.db2.gz NFCPTDONKORKJC-INIZCTEOSA-N 1 0 402.516 4.341 20 5 HIBDRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543537564 940098216 /nfs/dbraw/zinc/09/82/16/940098216.db2.gz AZGAEARMLFAUGM-DLBZAZTESA-N 1 0 413.493 4.386 20 5 HIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@@]3(CO)CCOC3)cc2[N+](=O)[O-])c1 ZINC000543621256 940136035 /nfs/dbraw/zinc/13/60/35/940136035.db2.gz KIIBGJVBIQYJMC-JOCHJYFZSA-N 1 0 400.475 4.060 20 5 HIBDRO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000543642581 940147176 /nfs/dbraw/zinc/14/71/76/940147176.db2.gz SIBVYYMVVRUZJO-DOTOQJQBSA-N 1 0 400.454 4.156 20 5 HIBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000544120144 940331535 /nfs/dbraw/zinc/33/15/35/940331535.db2.gz NKYIMGYARYYPQJ-QWRGUYRKSA-N 1 0 403.237 4.131 20 5 HIBDRO CCc1ccc([C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367984 940403797 /nfs/dbraw/zinc/40/37/97/940403797.db2.gz LXAABEOJJZMARY-QFIPXVFZSA-N 1 0 423.469 4.327 20 5 HIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nc(C(F)(F)F)cs1 ZINC000544460441 940440381 /nfs/dbraw/zinc/44/03/81/940440381.db2.gz KZYIPVOHOQQIFS-GFCCVEGCSA-N 1 0 416.425 4.448 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000544515654 940467871 /nfs/dbraw/zinc/46/78/71/940467871.db2.gz MQPPHOHXUMIXOA-CRTZDJKQSA-N 1 0 408.401 4.248 20 5 HIBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000544621764 940492485 /nfs/dbraw/zinc/49/24/85/940492485.db2.gz KCHITRZOPUIORJ-CRAIPNDOSA-N 1 0 400.454 4.423 20 5 HIBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000544629447 940494151 /nfs/dbraw/zinc/49/41/51/940494151.db2.gz FKNOGTFBEDUQAB-QFIPXVFZSA-N 1 0 410.518 4.400 20 5 HIBDRO Cc1cc(Cc2noc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)ccc1[N+](=O)[O-] ZINC000545146218 940550725 /nfs/dbraw/zinc/55/07/25/940550725.db2.gz XTWQNTWLMDSHLW-GOSISDBHSA-N 1 0 410.449 4.396 20 5 HIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@]12CCCO2 ZINC000545548597 940574304 /nfs/dbraw/zinc/57/43/04/940574304.db2.gz UZSWFYSFFJIJFN-AQNXPRMDSA-N 1 0 406.866 4.324 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000545828722 940618731 /nfs/dbraw/zinc/61/87/31/940618731.db2.gz CQOGNZKXYABNIX-IFXJQAMLSA-N 1 0 419.522 4.272 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)c2c1 ZINC000546235691 940739138 /nfs/dbraw/zinc/73/91/38/940739138.db2.gz OVDMUMLYODVILX-UHFFFAOYSA-N 1 0 403.442 4.313 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cccc(C[NH+]5CCCC5)c4)n3)c2c1 ZINC000546558442 940852543 /nfs/dbraw/zinc/85/25/43/940852543.db2.gz AFDWZCJJJDJGQY-UHFFFAOYSA-N 1 0 403.442 4.313 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000548974112 941136929 /nfs/dbraw/zinc/13/69/29/941136929.db2.gz OJYKFVKEVJWZIF-XMMPIXPASA-N 1 0 423.513 4.122 20 5 HIBDRO COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000549111628 941160785 /nfs/dbraw/zinc/16/07/85/941160785.db2.gz BJYYPHZTFWZQTL-UHFFFAOYSA-N 1 0 404.438 4.081 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000549814161 941208233 /nfs/dbraw/zinc/20/82/33/941208233.db2.gz XJGSZVRURDZOFR-CYBMUJFWSA-N 1 0 410.392 4.376 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000549886597 941228451 /nfs/dbraw/zinc/22/84/51/941228451.db2.gz UZNRMFXQOQVBGN-IBGZPJMESA-N 1 0 421.419 4.489 20 5 HIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000550554694 941337983 /nfs/dbraw/zinc/33/79/83/941337983.db2.gz PPFOBVSHBXALAY-UHFFFAOYSA-N 1 0 406.486 4.060 20 5 HIBDRO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000550970523 941388513 /nfs/dbraw/zinc/38/85/13/941388513.db2.gz MPIUOFPRSVZEAP-UYAOXDASSA-N 1 0 409.530 4.384 20 5 HIBDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000551568878 941503559 /nfs/dbraw/zinc/50/35/59/941503559.db2.gz AFSVBSDASKUYPE-YWZLYKJASA-N 1 0 422.909 4.288 20 5 HIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC3 ZINC000552281950 941621596 /nfs/dbraw/zinc/62/15/96/941621596.db2.gz PSTXASNVBSCSSO-UZUQRXQVSA-N 1 0 415.497 4.355 20 5 HIBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000552319137 941630612 /nfs/dbraw/zinc/63/06/12/941630612.db2.gz FUSPFEIEIAFROW-KSSFIOAISA-N 1 0 401.463 4.070 20 5 HIBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000553667963 941940600 /nfs/dbraw/zinc/94/06/00/941940600.db2.gz IWCFWPPIKAOCJJ-IBGZPJMESA-N 1 0 405.882 4.068 20 5 HIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)n1 ZINC000554374634 942117636 /nfs/dbraw/zinc/11/76/36/942117636.db2.gz VPTSQTIGGZEKIG-HUUCEWRRSA-N 1 0 404.339 4.362 20 5 HIBDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000555127454 942394427 /nfs/dbraw/zinc/39/44/27/942394427.db2.gz CZFRFIBPMIJHQM-FPOVZHCZSA-N 1 0 401.894 4.324 20 5 HIBDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000555152681 942407236 /nfs/dbraw/zinc/40/72/36/942407236.db2.gz OPRLDESFFNEETM-IEBWSBKVSA-N 1 0 411.502 4.194 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000555637817 942683536 /nfs/dbraw/zinc/68/35/36/942683536.db2.gz LZEZQPJYGBOSEZ-UHFFFAOYSA-N 1 0 402.520 4.151 20 5 HIBDRO O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccccc4C[NH+]4CCCCC4)no3)c1)OCCO2 ZINC000556772106 942931355 /nfs/dbraw/zinc/93/13/55/942931355.db2.gz XLVROQZRLDTGIP-UHFFFAOYSA-N 1 0 422.441 4.069 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000556850631 942940106 /nfs/dbraw/zinc/94/01/06/942940106.db2.gz QNCDXWZZCVGFSL-GOEBONIOSA-N 1 0 421.950 4.190 20 5 HIBDRO Cc1ccc([C@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000556868847 942944779 /nfs/dbraw/zinc/94/47/79/942944779.db2.gz XAVYAVUIIRLIER-GOTSBHOMSA-N 1 0 419.529 4.153 20 5 HIBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556867884 942944844 /nfs/dbraw/zinc/94/48/44/942944844.db2.gz BLWKRLXHDOMTCE-VXKWHMMOSA-N 1 0 411.550 4.052 20 5 HIBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000557687516 943259298 /nfs/dbraw/zinc/25/92/98/943259298.db2.gz WNRZFVXBSKMIAR-ZDUSSCGKSA-N 1 0 405.808 4.019 20 5 HIBDRO 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 943360677 /nfs/dbraw/zinc/36/06/77/943360677.db2.gz XRKALXYKMQLZAI-SVMVAKDDSA-N 1 0 422.529 4.009 20 5 HIBDRO CN(c1ccccc1)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000558412428 943552818 /nfs/dbraw/zinc/55/28/18/943552818.db2.gz ZHPKAAXOPXTYJI-SJLPKXTDSA-N 1 0 423.435 4.355 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558740244 943636778 /nfs/dbraw/zinc/63/67/78/943636778.db2.gz DMLAMJBQMPEKTC-REPLKXPHSA-N 1 0 407.470 4.303 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c1 ZINC000558809668 943673141 /nfs/dbraw/zinc/67/31/41/943673141.db2.gz NAEABLAMFKWHDO-UHFFFAOYSA-N 1 0 415.515 4.103 20 5 HIBDRO CCc1nc2cc(C[NH2+][C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2n1C1CC1 ZINC000558974328 943778631 /nfs/dbraw/zinc/77/86/31/943778631.db2.gz CETQGNXDFZXCIL-HNNXBMFYSA-N 1 0 421.501 4.349 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)cc1[N+](=O)[O-] ZINC000559606323 944015219 /nfs/dbraw/zinc/01/52/19/944015219.db2.gz PUYFBDDAIBUWDO-MRXNPFEDSA-N 1 0 422.909 4.218 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559824163 944061027 /nfs/dbraw/zinc/06/10/27/944061027.db2.gz HRNQFGRTRQMZSB-CABCVRRESA-N 1 0 413.440 4.340 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000559984720 944111258 /nfs/dbraw/zinc/11/12/58/944111258.db2.gz VRGSCIKEMJLYJK-HNAYVOBHSA-N 1 0 401.532 4.133 20 5 HIBDRO Cn1ccnc1[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549896 944251243 /nfs/dbraw/zinc/25/12/43/944251243.db2.gz IOJXHSHDOMCYJH-LADGPHEKSA-N 1 0 419.529 4.062 20 5 HIBDRO O=[N+]([O-])c1cc(CN2CCC(O[C@@H]3CCOC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000560567017 944256170 /nfs/dbraw/zinc/25/61/70/944256170.db2.gz PAHBZAJCBQRFJY-HXUWFJFHSA-N 1 0 416.449 4.296 20 5 HIBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000561228313 944520080 /nfs/dbraw/zinc/52/00/80/944520080.db2.gz OTCQMBMDTJUTRJ-IRXDYDNUSA-N 1 0 411.527 4.445 20 5 HIBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000561283026 944539091 /nfs/dbraw/zinc/53/90/91/944539091.db2.gz NAOGVNCBJBSLQM-SJLPKXTDSA-N 1 0 411.527 4.445 20 5 HIBDRO O=[N+]([O-])c1ccc(Oc2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc2F)c(Cl)c1 ZINC000561412938 944587602 /nfs/dbraw/zinc/58/76/02/944587602.db2.gz UIIRQZUQUOUGQM-OAHLLOKOSA-N 1 0 408.735 4.192 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)c2c1 ZINC000564683255 945727754 /nfs/dbraw/zinc/72/77/54/945727754.db2.gz OYSABZRBMOJQDZ-NRFANRHFSA-N 1 0 401.470 4.472 20 5 HIBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000565824383 945890416 /nfs/dbraw/zinc/89/04/16/945890416.db2.gz KSMYIXCRMXFSTQ-HNNXBMFYSA-N 1 0 414.483 4.499 20 5 HIBDRO COc1ccc(OCc2ccccn2)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000567428838 946336051 /nfs/dbraw/zinc/33/60/51/946336051.db2.gz TZNSPYSSLYISKT-UHFFFAOYSA-N 1 0 407.470 4.252 20 5 HIBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000567754829 946401213 /nfs/dbraw/zinc/40/12/13/946401213.db2.gz TULZEOSZYIEHMI-UHFFFAOYSA-N 1 0 420.307 4.253 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000567762598 946403278 /nfs/dbraw/zinc/40/32/78/946403278.db2.gz SKQBCPDSCJHANQ-INIZCTEOSA-N 1 0 413.440 4.388 20 5 HIBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000569734527 946962430 /nfs/dbraw/zinc/96/24/30/946962430.db2.gz WYVCCNPOYIBOCK-KZULUSFZSA-N 1 0 409.280 4.258 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)s1 ZINC000571715509 947758720 /nfs/dbraw/zinc/75/87/20/947758720.db2.gz NDOJWOYRIQNPQB-GOSISDBHSA-N 1 0 415.559 4.484 20 5 HIBDRO CSc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000572074329 947839935 /nfs/dbraw/zinc/83/99/35/947839935.db2.gz RFENDUFSODMJIP-AUUYWEPGSA-N 1 0 419.572 4.216 20 5 HIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000573018458 948059666 /nfs/dbraw/zinc/05/96/66/948059666.db2.gz OZDIICSMEWMHHA-GUDVDZBRSA-N 1 0 404.413 4.201 20 5 HIBDRO CC(C)[N@H+](C)CC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000573654018 948269669 /nfs/dbraw/zinc/26/96/69/948269669.db2.gz UWDBPBGKRZYNEY-UHFFFAOYSA-N 1 0 410.387 4.201 20 5 HIBDRO C[N@H+](Cc1ccccc1NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000573751814 948288916 /nfs/dbraw/zinc/28/89/16/948288916.db2.gz JBSPGUUDFYFZKJ-NRFANRHFSA-N 1 0 413.518 4.211 20 5 HIBDRO CC(C)(CO)[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000574372510 948427276 /nfs/dbraw/zinc/42/72/76/948427276.db2.gz GKXKMDRANXBKDN-HSZRJFAPSA-N 1 0 420.513 4.334 20 5 HIBDRO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574438213 948442810 /nfs/dbraw/zinc/44/28/10/948442810.db2.gz GPMCJXCPMFGEBE-GDBMZVCRSA-N 1 0 421.419 4.254 20 5 HIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000575840406 948736891 /nfs/dbraw/zinc/73/68/91/948736891.db2.gz RIAADLYGSRZABZ-NWDGAFQWSA-N 1 0 411.380 4.300 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])cc2Cl)CC3)cs1 ZINC001164693456 719804189 /nfs/dbraw/zinc/80/41/89/719804189.db2.gz SZNPICGURHBLGE-UHFFFAOYSA-N 1 0 407.927 4.043 20 5 HIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC3)cs1 ZINC001164692407 719804208 /nfs/dbraw/zinc/80/42/08/719804208.db2.gz NXXLBSGWTLGHDL-UHFFFAOYSA-N 1 0 407.927 4.043 20 5 HIBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165023983 721807987 /nfs/dbraw/zinc/80/79/87/721807987.db2.gz KOJWWZAXXIRCPL-SZMVWBNQSA-N 1 0 415.925 4.084 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001165026949 721808261 /nfs/dbraw/zinc/80/82/61/721808261.db2.gz SWRJNTPGYWTZCZ-JMUQELJHSA-N 1 0 417.513 4.275 20 5 HIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC001165028283 721810708 /nfs/dbraw/zinc/81/07/08/721810708.db2.gz XDQJSHKZBIZYNJ-PIPMEXSNSA-N 1 0 417.513 4.275 20 5 HIBDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001165037090 721899475 /nfs/dbraw/zinc/89/94/75/721899475.db2.gz JOXQQAVXYKMQCA-INIZCTEOSA-N 1 0 410.852 4.386 20 5 HIBDRO Cc1ccc(-c2nc3sccc3c(N(C)CC3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC001165042626 721937135 /nfs/dbraw/zinc/93/71/35/721937135.db2.gz JYLJNOQTRWQRPB-UHFFFAOYSA-N 1 0 411.531 4.353 20 5 HIBDRO CC(C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[NH+]1CCC(C)CC1 ZINC000436104843 861390313 /nfs/dbraw/zinc/39/03/13/861390313.db2.gz CQUOMXVGDOHFFA-OAQYLSRUSA-N 1 0 423.532 4.307 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436110804 861395751 /nfs/dbraw/zinc/39/57/51/861395751.db2.gz NPDZIMCNPBRAQB-MRXNPFEDSA-N 1 0 409.505 4.205 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436292242 861597953 /nfs/dbraw/zinc/59/79/53/861597953.db2.gz BMRWPRPBLWCWQU-SQNIBIBYSA-N 1 0 405.564 4.236 20 5 HIBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000015339727 846036796 /nfs/dbraw/zinc/03/67/96/846036796.db2.gz VZOOYCNHWJQSAE-UHFFFAOYSA-N 1 0 407.923 4.471 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H]([NH2+]CCNc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000015501222 846053934 /nfs/dbraw/zinc/05/39/34/846053934.db2.gz ATFWWQHEQTWPGZ-QFIPXVFZSA-N 1 0 404.470 4.285 20 5 HIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)c1 ZINC000023679110 846738334 /nfs/dbraw/zinc/73/83/34/846738334.db2.gz XNUSFRHNOFLZEZ-HYBUGGRVSA-N 1 0 418.449 4.460 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025861545 847047494 /nfs/dbraw/zinc/04/74/94/847047494.db2.gz GQLXAPZNARTZJA-FQEVSTJZSA-N 1 0 417.531 4.138 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000026219234 847104882 /nfs/dbraw/zinc/10/48/82/847104882.db2.gz CAHSYDASYLEEBY-UHFFFAOYSA-N 1 0 405.454 4.311 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436417619 861772056 /nfs/dbraw/zinc/77/20/56/861772056.db2.gz ZZGARWMMIBOZMM-CQSZACIVSA-N 1 0 400.445 4.490 20 5 HIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027605048 847327013 /nfs/dbraw/zinc/32/70/13/847327013.db2.gz SHDQZJLYXQUYOK-WMLDXEAASA-N 1 0 405.545 4.090 20 5 HIBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000027930680 847365571 /nfs/dbraw/zinc/36/55/71/847365571.db2.gz ZGBIXBOOBBKOBH-UHFFFAOYSA-N 1 0 409.511 4.246 20 5 HIBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028176925 847391275 /nfs/dbraw/zinc/39/12/75/847391275.db2.gz UWSPHZKFTWETCO-UHFFFAOYSA-N 1 0 411.505 4.389 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000029828854 847626941 /nfs/dbraw/zinc/62/69/41/847626941.db2.gz JNONZBZILQYWIR-MRXNPFEDSA-N 1 0 408.458 4.253 20 5 HIBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000030531830 847729899 /nfs/dbraw/zinc/72/98/99/847729899.db2.gz GJQIRRKLJIQIHL-PGRDOPGGSA-N 1 0 406.482 4.145 20 5 HIBDRO CCOc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c([N+](=O)[O-])cc1OC ZINC000031620693 847919415 /nfs/dbraw/zinc/91/94/15/847919415.db2.gz GBUXHSUFFHYAJD-UHFFFAOYSA-N 1 0 413.474 4.240 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000045874042 848745488 /nfs/dbraw/zinc/74/54/88/848745488.db2.gz GXCSLHNJMITSLY-OXJNMPFZSA-N 1 0 401.532 4.275 20 5 HIBDRO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])cc1OC ZINC000046156264 848792134 /nfs/dbraw/zinc/79/21/34/848792134.db2.gz ZNRIJLLLBAAPOG-OAHLLOKOSA-N 1 0 413.474 4.096 20 5 HIBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050628101 849399755 /nfs/dbraw/zinc/39/97/55/849399755.db2.gz ZHQGKNQMXFZFND-UHFFFAOYSA-N 1 0 402.520 4.055 20 5 HIBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050628103 849400000 /nfs/dbraw/zinc/40/00/00/849400000.db2.gz FWKPBKLGSZLWKF-UHFFFAOYSA-N 1 0 402.520 4.055 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000051133724 849435816 /nfs/dbraw/zinc/43/58/16/849435816.db2.gz ZSAVHBUYKDXVKJ-AUSIDOKSSA-N 1 0 411.502 4.332 20 5 HIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053019755 849656037 /nfs/dbraw/zinc/65/60/37/849656037.db2.gz AGMLDAVQPVSDRA-ZDUSSCGKSA-N 1 0 403.866 4.366 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000053417328 849706503 /nfs/dbraw/zinc/70/65/03/849706503.db2.gz YNJPQMWYMZCWDV-PMACEKPBSA-N 1 0 419.569 4.029 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000056157022 850260924 /nfs/dbraw/zinc/26/09/24/850260924.db2.gz OJVOBGQOHNUDLD-CABCVRRESA-N 1 0 401.463 4.068 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000056196553 850279211 /nfs/dbraw/zinc/27/92/11/850279211.db2.gz SGQQLSVJCWTBGV-CHWSQXEVSA-N 1 0 406.280 4.344 20 5 HIBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056459407 850369184 /nfs/dbraw/zinc/36/91/84/850369184.db2.gz XGXPEQDXVFTTSD-UHFFFAOYSA-N 1 0 418.497 4.323 20 5 HIBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263533 850788990 /nfs/dbraw/zinc/78/89/90/850788990.db2.gz IBLULZYNFGDGLT-UHFFFAOYSA-N 1 0 409.486 4.478 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000058262414 850789468 /nfs/dbraw/zinc/78/94/68/850789468.db2.gz CINCANUJBPUVMU-MRXNPFEDSA-N 1 0 406.486 4.381 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000058411292 850817533 /nfs/dbraw/zinc/81/75/33/850817533.db2.gz KJCOLDNTYNXCDX-UHFFFAOYSA-N 1 0 412.490 4.301 20 5 HIBDRO CCOc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000060425978 851095699 /nfs/dbraw/zinc/09/56/99/851095699.db2.gz HSEXKGHQQYBYTD-QGZVFWFLSA-N 1 0 411.502 4.298 20 5 HIBDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000061003278 851270208 /nfs/dbraw/zinc/27/02/08/851270208.db2.gz KVPQVVHWXCYSOC-UHFFFAOYSA-N 1 0 408.454 4.481 20 5 HIBDRO COc1ccccc1C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000061011904 851272086 /nfs/dbraw/zinc/27/20/86/851272086.db2.gz YNZMEWAELVVSRU-UHFFFAOYSA-N 1 0 408.454 4.481 20 5 HIBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063680334 851740303 /nfs/dbraw/zinc/74/03/03/851740303.db2.gz MBXOCHSHYRKJAX-UHFFFAOYSA-N 1 0 420.513 4.242 20 5 HIBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000063758568 851755865 /nfs/dbraw/zinc/75/58/65/851755865.db2.gz BMEWXBQLLTWBSB-LJQANCHMSA-N 1 0 424.545 4.449 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000064419898 851893252 /nfs/dbraw/zinc/89/32/52/851893252.db2.gz CLUPKPUSWHZZLW-HNNXBMFYSA-N 1 0 419.909 4.174 20 5 HIBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000064813991 851991382 /nfs/dbraw/zinc/99/13/82/851991382.db2.gz IUCDOKBTUJLOJW-HNNXBMFYSA-N 1 0 417.893 4.293 20 5 HIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000065102264 852063738 /nfs/dbraw/zinc/06/37/38/852063738.db2.gz QORQQGPAMXADJT-IYBDPMFKSA-N 1 0 416.547 4.206 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000065126712 852075061 /nfs/dbraw/zinc/07/50/61/852075061.db2.gz VDLVTEZVXRSYMA-QGZVFWFLSA-N 1 0 414.487 4.124 20 5 HIBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000065202170 852085629 /nfs/dbraw/zinc/08/56/29/852085629.db2.gz YNESAOLHUVUMPN-IBGZPJMESA-N 1 0 410.518 4.057 20 5 HIBDRO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000071981158 852453180 /nfs/dbraw/zinc/45/31/80/852453180.db2.gz BNESJAFGYJVJCF-IBGZPJMESA-N 1 0 417.893 4.214 20 5 HIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000072009923 852464634 /nfs/dbraw/zinc/46/46/34/852464634.db2.gz HQDKRWWKXXXIQX-LJQANCHMSA-N 1 0 424.545 4.335 20 5 HIBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032467 852474802 /nfs/dbraw/zinc/47/48/02/852474802.db2.gz IOIXGUQQEGATMY-BEFAXECRSA-N 1 0 400.866 4.396 20 5 HIBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)CC1 ZINC000072067174 852493033 /nfs/dbraw/zinc/49/30/33/852493033.db2.gz FHTWTKHAXQODTP-UHFFFAOYSA-N 1 0 401.894 4.410 20 5 HIBDRO Cc1cccc([C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)N2CCOCC2)c1 ZINC000072082422 852500269 /nfs/dbraw/zinc/50/02/69/852500269.db2.gz RJPPSKWECPVHPV-QHCPKHFHSA-N 1 0 421.497 4.326 20 5 HIBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437185932 862379911 /nfs/dbraw/zinc/37/99/11/862379911.db2.gz UGSNCLDIDUDKLP-UHFFFAOYSA-N 1 0 422.407 4.008 20 5 HIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000107553964 852775745 /nfs/dbraw/zinc/77/57/45/852775745.db2.gz MQRJYVQJMOCAGQ-SFHVURJKSA-N 1 0 410.518 4.088 20 5 HIBDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000108416683 852848603 /nfs/dbraw/zinc/84/86/03/852848603.db2.gz BEACFJZNGULRFV-HUUCEWRRSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C[C@@H](C)O1 ZINC000111193818 853219310 /nfs/dbraw/zinc/21/93/10/853219310.db2.gz YQZZIAXGUHNXQB-HUUCEWRRSA-N 1 0 412.515 4.426 20 5 HIBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000112659171 853237559 /nfs/dbraw/zinc/23/75/59/853237559.db2.gz ATLKPUDTJIGJOQ-IRXDYDNUSA-N 1 0 422.957 4.019 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000236679320 853910605 /nfs/dbraw/zinc/91/06/05/853910605.db2.gz HDBJTGDPGWIPMQ-UHFFFAOYSA-N 1 0 405.292 4.195 20 5 HIBDRO CC1(C)[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@@H]21 ZINC000236741085 853918289 /nfs/dbraw/zinc/91/82/89/853918289.db2.gz PDNURTBFENWHKK-WWNPGLIZSA-N 1 0 418.497 4.351 20 5 HIBDRO CN(C)[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 ZINC000237039311 853955625 /nfs/dbraw/zinc/95/56/25/853955625.db2.gz KQBSWQUCZMMUKG-LJQANCHMSA-N 1 0 400.479 4.250 20 5 HIBDRO CN(C)C1(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000237085717 853962212 /nfs/dbraw/zinc/96/22/12/853962212.db2.gz FWEMRVFMSODXFP-UHFFFAOYSA-N 1 0 419.909 4.241 20 5 HIBDRO COCCN1CCC([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000237124908 853967882 /nfs/dbraw/zinc/96/78/82/853967882.db2.gz NVVOCCXAYRJOQV-UHFFFAOYSA-N 1 0 419.909 4.241 20 5 HIBDRO COc1cc(C[NH2+][C@H](C)c2cn(C)nc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237229117 853986365 /nfs/dbraw/zinc/98/63/65/853986365.db2.gz XYDKRDQLZUPGTO-OAHLLOKOSA-N 1 0 410.474 4.075 20 5 HIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000237288995 853998469 /nfs/dbraw/zinc/99/84/69/853998469.db2.gz YXTNMJCNWWECGD-HNNXBMFYSA-N 1 0 406.442 4.102 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237337375 854008773 /nfs/dbraw/zinc/00/87/73/854008773.db2.gz ZAJNUEJFISEPRZ-BWAGFHJFSA-N 1 0 412.486 4.086 20 5 HIBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000237388906 854020382 /nfs/dbraw/zinc/02/03/82/854020382.db2.gz FJYGJWLVSUPZNZ-AWEZNQCLSA-N 1 0 400.866 4.206 20 5 HIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccc(NC(N)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000237438197 854033748 /nfs/dbraw/zinc/03/37/48/854033748.db2.gz HVRWQCZOCWDBCR-ZDUSSCGKSA-N 1 0 410.430 4.205 20 5 HIBDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000237452668 854035618 /nfs/dbraw/zinc/03/56/18/854035618.db2.gz FKRZTAAEPDUZKO-UHFFFAOYSA-N 1 0 402.497 4.017 20 5 HIBDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cn2)CCO1 ZINC000237595959 854059393 /nfs/dbraw/zinc/05/93/93/854059393.db2.gz CBVNGDHUXMJXCD-MRXNPFEDSA-N 1 0 424.526 4.233 20 5 HIBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237742947 854087792 /nfs/dbraw/zinc/08/77/92/854087792.db2.gz PLPDVLBBJFODNO-JTHBVZDNSA-N 1 0 406.486 4.088 20 5 HIBDRO NC(=O)Nc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000237902722 854117084 /nfs/dbraw/zinc/11/70/84/854117084.db2.gz CANDLGWVDVFWHC-UHFFFAOYSA-N 1 0 400.822 4.289 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000238012146 854133704 /nfs/dbraw/zinc/13/37/04/854133704.db2.gz MOTLWDPFSUDSQP-GOTSBHOMSA-N 1 0 417.513 4.164 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c3cnccc23)C[C@H](C)O1 ZINC000301106931 854297525 /nfs/dbraw/zinc/29/75/25/854297525.db2.gz PYVGICOOFFNNAC-IRXDYDNUSA-N 1 0 406.486 4.364 20 5 HIBDRO C[C@H](c1nnc(Sc2ncc([N+](=O)[O-])cc2Cl)n1-c1ccc(F)cc1)N(C)C ZINC000301279101 854346585 /nfs/dbraw/zinc/34/65/85/854346585.db2.gz NDZUSMKUBKHZNT-SNVBAGLBSA-N 1 0 422.873 4.137 20 5 HIBDRO Cc1nn(C)c(NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000301294381 854350815 /nfs/dbraw/zinc/35/08/15/854350815.db2.gz QVEAQZGRULPKGA-RHSMWYFYSA-N 1 0 411.428 4.151 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301412953 854387488 /nfs/dbraw/zinc/38/74/88/854387488.db2.gz KWJNDHWBEVIMFB-MGPUTAFESA-N 1 0 414.531 4.044 20 5 HIBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCCC2)c(Br)c1 ZINC000301539080 854416117 /nfs/dbraw/zinc/41/61/17/854416117.db2.gz NNJSOQPKMORNDI-UHFFFAOYSA-N 1 0 405.296 4.350 20 5 HIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301670988 854442178 /nfs/dbraw/zinc/44/21/78/854442178.db2.gz FJNCAZYRGIBNSZ-HOTGVXAUSA-N 1 0 424.501 4.016 20 5 HIBDRO O=C(c1ccccc1)c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301753789 854459886 /nfs/dbraw/zinc/45/98/86/854459886.db2.gz CAPZKXNJWAARRK-TZIWHRDSSA-N 1 0 405.498 4.279 20 5 HIBDRO CCc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301763385 854461170 /nfs/dbraw/zinc/46/11/70/854461170.db2.gz GNRJSVPWNVTYSC-UTKZUKDTSA-N 1 0 407.518 4.067 20 5 HIBDRO CCc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301763387 854461671 /nfs/dbraw/zinc/46/16/71/854461671.db2.gz GNRJSVPWNVTYSC-UWJYYQICSA-N 1 0 407.518 4.067 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301936094 854497515 /nfs/dbraw/zinc/49/75/15/854497515.db2.gz PUMGMASZINKYNQ-CQSZACIVSA-N 1 0 423.560 4.046 20 5 HIBDRO COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000301968920 854506679 /nfs/dbraw/zinc/50/66/79/854506679.db2.gz ZIRVXPSSVRWYIF-UHFFFAOYSA-N 1 0 402.470 4.264 20 5 HIBDRO CN1CC[NH+](CCC(C)(C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000302245393 854556052 /nfs/dbraw/zinc/55/60/52/854556052.db2.gz KLRPIDUYPQYWPF-UHFFFAOYSA-N 1 0 408.852 4.095 20 5 HIBDRO C[C@]1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCC[N@@H+]1Cc1ccccc1 ZINC000302389615 854567238 /nfs/dbraw/zinc/56/72/38/854567238.db2.gz HZSBVAKNOJVXII-JOCHJYFZSA-N 1 0 410.474 4.018 20 5 HIBDRO CN(C(=O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000303478380 854974075 /nfs/dbraw/zinc/97/40/75/854974075.db2.gz PIYIXTLCDHOWNR-UHFFFAOYSA-N 1 0 410.449 4.058 20 5 HIBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc2ccccc2c2cccnc12 ZINC000303519389 855007838 /nfs/dbraw/zinc/00/78/38/855007838.db2.gz UYMUECIYNRBRBX-UHFFFAOYSA-N 1 0 403.526 4.153 20 5 HIBDRO CCC[NH+]1CCC(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000426113927 856116197 /nfs/dbraw/zinc/11/61/97/856116197.db2.gz ORKJWHXNCBTYOC-UHFFFAOYSA-N 1 0 411.502 4.026 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(c3cccnn3)CC2)ccc1Oc1ccc(F)cc1 ZINC000428561524 857266966 /nfs/dbraw/zinc/26/69/66/857266966.db2.gz FIPWCRWTULIPLP-UHFFFAOYSA-N 1 0 423.448 4.075 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000428919162 857414810 /nfs/dbraw/zinc/41/48/10/857414810.db2.gz DSNKZUNKYVJFBB-WFXMLNOXSA-N 1 0 410.518 4.317 20 5 HIBDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000429426712 857661016 /nfs/dbraw/zinc/66/10/16/857661016.db2.gz NWHZEOSDFQEDAB-CRAIPNDOSA-N 1 0 422.934 4.153 20 5 HIBDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000429426714 857661302 /nfs/dbraw/zinc/66/13/02/857661302.db2.gz NWHZEOSDFQEDAB-MAUKXSAKSA-N 1 0 422.934 4.153 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000430211361 858083536 /nfs/dbraw/zinc/08/35/36/858083536.db2.gz IOSYAJLICWJSBK-GFCCVEGCSA-N 1 0 401.410 4.458 20 5 HIBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000430864287 858342939 /nfs/dbraw/zinc/34/29/39/858342939.db2.gz JYDFNOPJSXXPRE-JXFKEZNVSA-N 1 0 411.527 4.302 20 5 HIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000431000876 858399954 /nfs/dbraw/zinc/39/99/54/858399954.db2.gz SFYFDXAUVWOKCM-HNNXBMFYSA-N 1 0 401.488 4.031 20 5 HIBDRO CC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000431692906 858743367 /nfs/dbraw/zinc/74/33/67/858743367.db2.gz QUYIMEANFUOTLL-XJABCFGWSA-N 1 0 410.518 4.398 20 5 HIBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000431884090 858855152 /nfs/dbraw/zinc/85/51/52/858855152.db2.gz UKWJQAVVOBPMJE-UHFFFAOYSA-N 1 0 410.518 4.102 20 5 HIBDRO COc1cc([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000433151321 859542849 /nfs/dbraw/zinc/54/28/49/859542849.db2.gz YUDVHQDCRXSVAB-LIRRHRJNSA-N 1 0 400.475 4.048 20 5 HIBDRO CC1(C)C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433164116 859548456 /nfs/dbraw/zinc/54/84/56/859548456.db2.gz QNHSGUKDOYRHQV-VXKWHMMOSA-N 1 0 407.514 4.141 20 5 HIBDRO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434796106 860497366 /nfs/dbraw/zinc/49/73/66/860497366.db2.gz PFOSDRHETBXINL-CYBMUJFWSA-N 1 0 408.549 4.120 20 5 HIBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435271610 860711699 /nfs/dbraw/zinc/71/16/99/860711699.db2.gz XXXCTKSRCLDGNW-FQEVSTJZSA-N 1 0 419.485 4.107 20 5 HIBDRO Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435293570 860723417 /nfs/dbraw/zinc/72/34/17/860723417.db2.gz AFVUDUTXHIIQRE-HXUWFJFHSA-N 1 0 419.485 4.107 20 5 HIBDRO Cc1c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327543 860739156 /nfs/dbraw/zinc/73/91/56/860739156.db2.gz HMENEJYGTDIYMU-UHFFFAOYSA-N 1 0 413.316 4.050 20 5 HIBDRO Cc1c(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435330166 860741432 /nfs/dbraw/zinc/74/14/32/860741432.db2.gz RYRNDGRQAIVGKW-CQSZACIVSA-N 1 0 413.316 4.004 20 5 HIBDRO COc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c([N+](=O)[O-])cc1F ZINC000467772917 881593141 /nfs/dbraw/zinc/59/31/41/881593141.db2.gz WASOUZBZNLQKMR-HNNXBMFYSA-N 1 0 403.454 4.054 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[NH+]2CCCC2)cc1 ZINC000438021074 863381905 /nfs/dbraw/zinc/38/19/05/863381905.db2.gz GGLAOQOBURETOL-QHCPKHFHSA-N 1 0 422.529 4.414 20 5 HIBDRO Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[NH+]2CCCC2)o1 ZINC000438024384 863383517 /nfs/dbraw/zinc/38/35/17/863383517.db2.gz RKUGUWDYXXJJRQ-HXUWFJFHSA-N 1 0 412.490 4.007 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC000438353438 863820596 /nfs/dbraw/zinc/82/05/96/863820596.db2.gz BLFQPQCHGCFYNH-UHFFFAOYSA-N 1 0 406.442 4.073 20 5 HIBDRO COc1ccc(CN(C)[C@@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438482351 863898475 /nfs/dbraw/zinc/89/84/75/863898475.db2.gz YAZRQXBRUWYWKX-OAHLLOKOSA-N 1 0 407.264 4.322 20 5 HIBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000438547839 863975443 /nfs/dbraw/zinc/97/54/43/863975443.db2.gz UBYSSYQAXMOTMV-GOSISDBHSA-N 1 0 406.866 4.278 20 5 HIBDRO Cc1c(NC(=O)CCN2CC[NH+](C3CCC(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000438555949 863988456 /nfs/dbraw/zinc/98/84/56/863988456.db2.gz XUUHUJJXXSJWTM-UHFFFAOYSA-N 1 0 416.566 4.064 20 5 HIBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439166869 864596685 /nfs/dbraw/zinc/59/66/85/864596685.db2.gz XTNHKXBCQMBCHV-UHFFFAOYSA-N 1 0 409.836 4.293 20 5 HIBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000439884214 865196138 /nfs/dbraw/zinc/19/61/38/865196138.db2.gz SPHZVSHHAYBSAX-SJLPKXTDSA-N 1 0 412.490 4.026 20 5 HIBDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468035972 881866637 /nfs/dbraw/zinc/86/66/37/881866637.db2.gz BJFJEDOFMJSSRU-CYBMUJFWSA-N 1 0 410.301 4.428 20 5 HIBDRO Cn1cc(Br)cc1C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000468085102 881893737 /nfs/dbraw/zinc/89/37/37/881893737.db2.gz GIAPQEMFUVRDSK-UHFFFAOYSA-N 1 0 419.279 4.025 20 5 HIBDRO O=C(c1cccc([N+](=O)[O-])c1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440426630 865725605 /nfs/dbraw/zinc/72/56/05/865725605.db2.gz QEIYHWCGEOXEKH-QGZVFWFLSA-N 1 0 421.419 4.121 20 5 HIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000440539293 865810003 /nfs/dbraw/zinc/81/00/03/865810003.db2.gz UFPRNFUNOFMNJH-IBGZPJMESA-N 1 0 422.529 4.153 20 5 HIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000441100721 866195961 /nfs/dbraw/zinc/19/59/61/866195961.db2.gz ZQFGBROJPQATGL-GFCCVEGCSA-N 1 0 401.410 4.329 20 5 HIBDRO CC1CCC([N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]2CCCO2)CC1 ZINC000441463335 866538986 /nfs/dbraw/zinc/53/89/86/866538986.db2.gz KEWATCRPCPNTTG-GXOAENINSA-N 1 0 400.479 4.205 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 ZINC000443644610 868230732 /nfs/dbraw/zinc/23/07/32/868230732.db2.gz FYDLXOVGQFEXAW-AWEZNQCLSA-N 1 0 423.404 4.305 20 5 HIBDRO COc1cccc([C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[NH+]2CCCC2)c1 ZINC000443946305 868482409 /nfs/dbraw/zinc/48/24/09/868482409.db2.gz LPTSMZDEBAFWSO-FQEVSTJZSA-N 1 0 412.490 4.179 20 5 HIBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444016345 868540444 /nfs/dbraw/zinc/54/04/44/868540444.db2.gz YXFXIIZABYJYAJ-UHFFFAOYSA-N 1 0 409.505 4.206 20 5 HIBDRO C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444301614 868733091 /nfs/dbraw/zinc/73/30/91/868733091.db2.gz FZIDNVWEPYITGA-JKSUJKDBSA-N 1 0 421.516 4.203 20 5 HIBDRO Cn1nc(CCC[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1-c1ccc(F)cc1 ZINC000444607393 868901553 /nfs/dbraw/zinc/90/15/53/868901553.db2.gz ITZFLYKLGRICST-UHFFFAOYSA-N 1 0 422.464 4.075 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444751220 868987072 /nfs/dbraw/zinc/98/70/72/868987072.db2.gz CHEITSITMHGGLD-STQMWFEESA-N 1 0 412.471 4.102 20 5 HIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000444803072 869018016 /nfs/dbraw/zinc/01/80/16/869018016.db2.gz NCVADBZIVTYYBG-IAGOWNOFSA-N 1 0 416.522 4.141 20 5 HIBDRO CCc1ccc([C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[NH+](C)C)cc1 ZINC000444824031 869033846 /nfs/dbraw/zinc/03/38/46/869033846.db2.gz FOZDYGNHKIRACI-HSZRJFAPSA-N 1 0 413.521 4.276 20 5 HIBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000444929431 869111848 /nfs/dbraw/zinc/11/18/48/869111848.db2.gz YDGYZYOUQVOVBK-APWZRJJASA-N 1 0 412.490 4.293 20 5 HIBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc21 ZINC000445013289 869165316 /nfs/dbraw/zinc/16/53/16/869165316.db2.gz UNSVTHUAXWFORW-UHFFFAOYSA-N 1 0 424.504 4.450 20 5 HIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN(Cc4c(F)cccc4Cl)CC3)nc2c1 ZINC000446840444 870758015 /nfs/dbraw/zinc/75/80/15/870758015.db2.gz ZBOZCXPDRNTAIA-UHFFFAOYSA-N 1 0 417.872 4.018 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000446974330 870872450 /nfs/dbraw/zinc/87/24/50/870872450.db2.gz ICBZJBXIABJMLM-GUXCAODWSA-N 1 0 422.447 4.164 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1OC1CCCC1 ZINC000447527231 871390364 /nfs/dbraw/zinc/39/03/64/871390364.db2.gz DIFQIQQWVNKUBD-OALUTQOASA-N 1 0 414.506 4.395 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)CCC2 ZINC000447529186 871393890 /nfs/dbraw/zinc/39/38/90/871393890.db2.gz KUEDAKKYQCIQEX-LPHOPBHVSA-N 1 0 410.392 4.021 20 5 HIBDRO CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000447535286 871400061 /nfs/dbraw/zinc/40/00/61/871400061.db2.gz DZJZHMRBGQKKNR-VIPLHTEESA-N 1 0 403.552 4.009 20 5 HIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)CCC2 ZINC000447561627 871454400 /nfs/dbraw/zinc/45/44/00/871454400.db2.gz IUKXVHKCGICLOL-QFBILLFUSA-N 1 0 410.392 4.021 20 5 HIBDRO 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 871605052 /nfs/dbraw/zinc/60/50/52/871605052.db2.gz YIOUMKKKOVTHFM-FRRDWIJNSA-N 1 0 422.398 4.486 20 5 HIBDRO CC[NH+](CC)CC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000447689347 871623849 /nfs/dbraw/zinc/62/38/49/871623849.db2.gz PIFZAWRIVAKAFQ-UHFFFAOYSA-N 1 0 410.387 4.202 20 5 HIBDRO CC1CCN(c2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc2[N+](=O)[O-])CC1 ZINC000447951830 871821713 /nfs/dbraw/zinc/82/17/13/871821713.db2.gz CSZVHWWMEAKJMQ-UHFFFAOYSA-N 1 0 404.430 4.196 20 5 HIBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460345159 872963229 /nfs/dbraw/zinc/96/32/29/872963229.db2.gz FQXDCJXZGABLGB-CYGODWOOSA-N 1 0 420.513 4.496 20 5 HIBDRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000460413866 873069410 /nfs/dbraw/zinc/06/94/10/873069410.db2.gz VGACAUHCYZTWDT-UHFFFAOYSA-N 1 0 410.405 4.493 20 5 HIBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460973693 873868273 /nfs/dbraw/zinc/86/82/73/873868273.db2.gz YEWLWFCLVTYHTQ-UHFFFAOYSA-N 1 0 424.328 4.425 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000468641639 882777404 /nfs/dbraw/zinc/77/74/04/882777404.db2.gz LVIAXJPHMGRQNW-GFLCFMILSA-N 1 0 423.513 4.037 20 5 HIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000468650766 882787511 /nfs/dbraw/zinc/78/75/11/882787511.db2.gz IJKBNPYQMKMCAS-GZTJUZNOSA-N 1 0 405.454 4.311 20 5 HIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H](CCO)C3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000461409659 874425194 /nfs/dbraw/zinc/42/51/94/874425194.db2.gz DULAMYXRNLQMRV-FQEVSTJZSA-N 1 0 416.543 4.322 20 5 HIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)cc1 ZINC000468843131 882886231 /nfs/dbraw/zinc/88/62/31/882886231.db2.gz GGAYGAVIPQHVFF-IBGZPJMESA-N 1 0 408.907 4.153 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000462519697 875635675 /nfs/dbraw/zinc/63/56/75/875635675.db2.gz WZRDGVOIROHJCZ-LJQANCHMSA-N 1 0 422.485 4.213 20 5 HIBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551154 875675933 /nfs/dbraw/zinc/67/59/33/875675933.db2.gz MKLDRZZLRSQUFK-HRAATJIYSA-N 1 0 408.527 4.328 20 5 HIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000462756772 875821035 /nfs/dbraw/zinc/82/10/35/875821035.db2.gz PNSMUEOBOWESBQ-NYVOZVTQSA-N 1 0 417.465 4.101 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1OC(F)F ZINC000462836348 875871159 /nfs/dbraw/zinc/87/11/59/875871159.db2.gz CKZXLNPWIBMEGF-UHFFFAOYSA-N 1 0 407.417 4.283 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCN(c4ccccc4F)C3)cs2)c1 ZINC000462910450 875935742 /nfs/dbraw/zinc/93/57/42/875935742.db2.gz RAXYRPRPTKJHCM-OAHLLOKOSA-N 1 0 412.490 4.474 20 5 HIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462921281 875950340 /nfs/dbraw/zinc/95/03/40/875950340.db2.gz DZWVTOSIXBAVAT-RTBURBONSA-N 1 0 415.559 4.253 20 5 HIBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[NH+]2CCCC2)cc1 ZINC000462929351 875958144 /nfs/dbraw/zinc/95/81/44/875958144.db2.gz ZVHQBXGKUDTYHU-SFHVURJKSA-N 1 0 407.417 4.454 20 5 HIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000462994570 876007791 /nfs/dbraw/zinc/00/77/91/876007791.db2.gz PPEBBSPCSZTSLU-SFHVURJKSA-N 1 0 410.518 4.308 20 5 HIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463420691 876475364 /nfs/dbraw/zinc/47/53/64/876475364.db2.gz VKQUKPTXIOBMDJ-UHFFFAOYSA-N 1 0 407.392 4.139 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000464833963 878093687 /nfs/dbraw/zinc/09/36/87/878093687.db2.gz OSGQSIUOLUYONV-KSSFIOAISA-N 1 0 401.463 4.307 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464879840 878173324 /nfs/dbraw/zinc/17/33/24/878173324.db2.gz QHRCRSHYAQDBLV-UHFFFAOYSA-N 1 0 413.449 4.251 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000465189188 878584406 /nfs/dbraw/zinc/58/44/06/878584406.db2.gz WSLWRPYSCLEZGH-INIZCTEOSA-N 1 0 415.515 4.046 20 5 HIBDRO C[C@@H]1C[C@]1([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000503409682 912391027 /nfs/dbraw/zinc/39/10/27/912391027.db2.gz VGTMNJBUKYNOSB-ZUOKHONESA-N 1 0 401.850 4.071 20 5 HIBDRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467100711 880862648 /nfs/dbraw/zinc/86/26/48/880862648.db2.gz KUBDHZAIHJFAKF-UHFFFAOYSA-N 1 0 405.857 4.029 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)C1CC1 ZINC000467413918 881201715 /nfs/dbraw/zinc/20/17/15/881201715.db2.gz OWTUJSTTYGIDGA-HXUWFJFHSA-N 1 0 415.921 4.196 20 5 HIBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000469755072 883917793 /nfs/dbraw/zinc/91/77/93/883917793.db2.gz FSXCYSYREUVBJX-KRWDZBQOSA-N 1 0 420.391 4.128 20 5 HIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000470644156 885067966 /nfs/dbraw/zinc/06/79/66/885067966.db2.gz MEOHZNCDSVNOBK-UHFFFAOYSA-N 1 0 400.504 4.122 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000470880265 885370913 /nfs/dbraw/zinc/37/09/13/885370913.db2.gz OPRIEEZUKPPLEU-UHFFFAOYSA-N 1 0 415.515 4.103 20 5 HIBDRO CC1(C)CN([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)CCO1 ZINC000504034722 912939579 /nfs/dbraw/zinc/93/95/79/912939579.db2.gz XINIYZNHJRWHLI-HXUWFJFHSA-N 1 0 403.910 4.190 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000470993605 885494218 /nfs/dbraw/zinc/49/42/18/885494218.db2.gz OPZHEYAAIVVWSS-DEOSSOPVSA-N 1 0 423.513 4.122 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000471058331 885573199 /nfs/dbraw/zinc/57/31/99/885573199.db2.gz YYGZPASKCZAZDX-MJGOQNOKSA-N 1 0 411.502 4.024 20 5 HIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000471058329 885573910 /nfs/dbraw/zinc/57/39/10/885573910.db2.gz YYGZPASKCZAZDX-HKUYNNGSSA-N 1 0 411.502 4.024 20 5 HIBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000472501934 887370899 /nfs/dbraw/zinc/37/08/99/887370899.db2.gz QHEJQPRGSVIIGE-HZPDHXFCSA-N 1 0 415.921 4.064 20 5 HIBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000472501933 887370905 /nfs/dbraw/zinc/37/09/05/887370905.db2.gz QHEJQPRGSVIIGE-HOTGVXAUSA-N 1 0 415.921 4.064 20 5 HIBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000473266299 888026526 /nfs/dbraw/zinc/02/65/26/888026526.db2.gz UVEFBRCKQZQZDR-UHFFFAOYSA-N 1 0 421.501 4.106 20 5 HIBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473503258 888230396 /nfs/dbraw/zinc/23/03/96/888230396.db2.gz MMSBTVUKNDZHGU-DEOSSOPVSA-N 1 0 418.497 4.204 20 5 HIBDRO CC(C)c1ccc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473921909 888802580 /nfs/dbraw/zinc/80/25/80/888802580.db2.gz KNFDNYKEAKBNPO-QZTJIDSGSA-N 1 0 417.550 4.070 20 5 HIBDRO C[C@H](NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000473953371 888826452 /nfs/dbraw/zinc/82/64/52/888826452.db2.gz SVZSMPKXNXYSLU-KURKYZTESA-N 1 0 410.518 4.112 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000474003907 888862515 /nfs/dbraw/zinc/86/25/15/888862515.db2.gz ZPSBQFMWNLZGIK-WZONZLPQSA-N 1 0 412.486 4.196 20 5 HIBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000474152375 888983251 /nfs/dbraw/zinc/98/32/51/888983251.db2.gz RCAFTVDCVQYOSA-GOSISDBHSA-N 1 0 410.518 4.153 20 5 HIBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000474358744 889237439 /nfs/dbraw/zinc/23/74/39/889237439.db2.gz BIRZXVCRARTFOI-LBPRGKRZSA-N 1 0 412.364 4.016 20 5 HIBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)ccc21 ZINC000504547893 913324601 /nfs/dbraw/zinc/32/46/01/913324601.db2.gz STAHPTOUSNCWPK-UHFFFAOYSA-N 1 0 410.474 4.152 20 5 HIBDRO COc1cc(C[NH2+]Cc2ccc3ncccc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475353444 890278818 /nfs/dbraw/zinc/27/88/18/890278818.db2.gz WJEZYVBCYBJQEA-UHFFFAOYSA-N 1 0 403.385 4.085 20 5 HIBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 ZINC000475425401 890347019 /nfs/dbraw/zinc/34/70/19/890347019.db2.gz SEHCHELWHLOKRB-UHFFFAOYSA-N 1 0 424.906 4.097 20 5 HIBDRO O=C(C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000475499496 890408632 /nfs/dbraw/zinc/40/86/32/890408632.db2.gz WTPGGELHEXUWSP-UHFFFAOYSA-N 1 0 421.428 4.158 20 5 HIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2OC)N2CCCC2)cc1[N+](=O)[O-] ZINC000504888128 913619405 /nfs/dbraw/zinc/61/94/05/913619405.db2.gz NJVKKBRWGOZCAU-UWJYYQICSA-N 1 0 413.518 4.490 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000504894421 913625811 /nfs/dbraw/zinc/62/58/11/913625811.db2.gz LPBBPYIDQONBNP-OAHLLOKOSA-N 1 0 400.479 4.374 20 5 HIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911115 913644374 /nfs/dbraw/zinc/64/43/74/913644374.db2.gz AOZIVSWWPUMHAW-ZWKOTPCHSA-N 1 0 413.518 4.065 20 5 HIBDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000504911621 913644572 /nfs/dbraw/zinc/64/45/72/913644572.db2.gz JAOKUNBNAGMXNE-QGZVFWFLSA-N 1 0 407.580 4.482 20 5 HIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000477375351 892336086 /nfs/dbraw/zinc/33/60/86/892336086.db2.gz RZOXMJJTHUADEI-CRAIPNDOSA-N 1 0 401.894 4.340 20 5 HIBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000477693891 892813311 /nfs/dbraw/zinc/81/33/11/892813311.db2.gz OGWBSFPTBVTUST-TZIWHRDSSA-N 1 0 423.513 4.039 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000477931591 893021611 /nfs/dbraw/zinc/02/16/11/893021611.db2.gz ZOFBXBPRBNKDSI-WWMYMODYSA-N 1 0 404.457 4.025 20 5 HIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000478036924 893167352 /nfs/dbraw/zinc/16/73/52/893167352.db2.gz WRSZWOUSFHLDPI-QGZVFWFLSA-N 1 0 402.520 4.260 20 5 HIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000478978296 894255283 /nfs/dbraw/zinc/25/52/83/894255283.db2.gz UPVCPDDQRJSQSB-MRXNPFEDSA-N 1 0 407.561 4.437 20 5 HIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cccc(OCC(F)(F)F)c2)n1 ZINC000479514070 894827611 /nfs/dbraw/zinc/82/76/11/894827611.db2.gz GLEZJKJFSCOHGB-SJORKVTESA-N 1 0 412.412 4.048 20 5 HIBDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc([N+](=O)[O-])c1C ZINC000479861162 895196623 /nfs/dbraw/zinc/19/66/23/895196623.db2.gz HQYWFHXYQMKBEX-DEOSSOPVSA-N 1 0 423.513 4.040 20 5 HIBDRO COc1cc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc([N+](=O)[O-])c1C ZINC000479927905 895276408 /nfs/dbraw/zinc/27/64/08/895276408.db2.gz SIEGNZUENALRAJ-UHFFFAOYSA-N 1 0 415.515 4.021 20 5 HIBDRO CCC[C@@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000480081494 895438072 /nfs/dbraw/zinc/43/80/72/895438072.db2.gz FYPFQTKXOMLKRH-DHIUTWEWSA-N 1 0 413.518 4.108 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480125153 895500508 /nfs/dbraw/zinc/50/05/08/895500508.db2.gz NNOSAXJXHWYUFH-CXAGYDPISA-N 1 0 420.428 4.228 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480260589 895667747 /nfs/dbraw/zinc/66/77/47/895667747.db2.gz JDAOXDHFWJERQK-IIBYNOLFSA-N 1 0 403.910 4.281 20 5 HIBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000481855634 897222883 /nfs/dbraw/zinc/22/28/83/897222883.db2.gz VXACBFLHZAHBJX-UHFFFAOYSA-N 1 0 410.518 4.057 20 5 HIBDRO COCCCN1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000481911953 897294171 /nfs/dbraw/zinc/29/41/71/897294171.db2.gz UJGXMNUSFKOYFK-INIZCTEOSA-N 1 0 403.548 4.475 20 5 HIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000481952324 897340366 /nfs/dbraw/zinc/34/03/66/897340366.db2.gz UCNHGQKIYBUQEY-IERDGZPVSA-N 1 0 403.910 4.281 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000482048117 897472964 /nfs/dbraw/zinc/47/29/64/897472964.db2.gz NLUSPRCRGRRIDQ-ZDUSSCGKSA-N 1 0 406.280 4.345 20 5 HIBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141622 897600512 /nfs/dbraw/zinc/60/05/12/897600512.db2.gz KCJBIMWJBYIEDD-DYESRHJHSA-N 1 0 423.517 4.452 20 5 HIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505502999 914191523 /nfs/dbraw/zinc/19/15/23/914191523.db2.gz JRVPJKQLZUVVOR-YCRPNKLZSA-N 1 0 422.428 4.115 20 5 HIBDRO Cn1cc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482408679 897951147 /nfs/dbraw/zinc/95/11/47/897951147.db2.gz VVWNQRLPZFSCOQ-QHCPKHFHSA-N 1 0 404.470 4.017 20 5 HIBDRO CCOc1cc(C[N@@H+]2CCC(C)=C(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482433601 897990762 /nfs/dbraw/zinc/99/07/62/897990762.db2.gz DVJRFSPIHABPTQ-UHFFFAOYSA-N 1 0 414.506 4.120 20 5 HIBDRO COc1ccc(-c2ccc(C[N@@H+]3CC(C)(C)O[C@@]4(CCCOC4)C3)o2)c([N+](=O)[O-])c1 ZINC000482447350 898012218 /nfs/dbraw/zinc/01/22/18/898012218.db2.gz DXSCPIXRQGDPPT-QFIPXVFZSA-N 1 0 416.474 4.023 20 5 HIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cccc1[N+](=O)[O-] ZINC000482947497 898572976 /nfs/dbraw/zinc/57/29/76/898572976.db2.gz KLWQNIAUYKUVQR-KRWDZBQOSA-N 1 0 419.485 4.471 20 5 HIBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483591021 899241574 /nfs/dbraw/zinc/24/15/74/899241574.db2.gz XQZZNHIBVQSQQQ-FDDCHVKYSA-N 1 0 418.497 4.203 20 5 HIBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483740988 899404094 /nfs/dbraw/zinc/40/40/94/899404094.db2.gz IVPDHULRMUNKOE-HZPDHXFCSA-N 1 0 411.531 4.376 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000483812187 899490309 /nfs/dbraw/zinc/49/03/09/899490309.db2.gz YOOYJDFPUHHNIP-VBKZILBWSA-N 1 0 406.885 4.149 20 5 HIBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)C1 ZINC000505658797 914357010 /nfs/dbraw/zinc/35/70/10/914357010.db2.gz OYGFHNKRVHCPSA-JOCHJYFZSA-N 1 0 411.527 4.304 20 5 HIBDRO Cc1c(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000484522256 900010690 /nfs/dbraw/zinc/01/06/90/900010690.db2.gz RQBKOAJCCXDKPM-UHFFFAOYSA-N 1 0 412.490 4.090 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484803563 900207653 /nfs/dbraw/zinc/20/76/53/900207653.db2.gz OLTJXIGPZYZGRV-UHFFFAOYSA-N 1 0 423.391 4.347 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000485004954 900355921 /nfs/dbraw/zinc/35/59/21/900355921.db2.gz LTTJLNDPLKLIQL-SFHVURJKSA-N 1 0 413.543 4.001 20 5 HIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 ZINC000485143902 900444477 /nfs/dbraw/zinc/44/44/77/900444477.db2.gz GNEAGEOAAUPJFG-HNNXBMFYSA-N 1 0 413.446 4.071 20 5 HIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485503506 900792240 /nfs/dbraw/zinc/79/22/40/900792240.db2.gz JYUKCWZTSJHHSD-UHFFFAOYSA-N 1 0 405.401 4.087 20 5 HIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000485705879 900955058 /nfs/dbraw/zinc/95/50/58/900955058.db2.gz QNQURMFOZNDKDE-OAHLLOKOSA-N 1 0 417.456 4.106 20 5 HIBDRO CSc1cccc(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486416799 901575144 /nfs/dbraw/zinc/57/51/44/901575144.db2.gz NNKOZAIVJSINOZ-IGOJGBNBSA-N 1 0 413.543 4.203 20 5 HIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1[N+](=O)[O-] ZINC000505906231 914549749 /nfs/dbraw/zinc/54/97/49/914549749.db2.gz MNPBAEYDPCGORM-SFHVURJKSA-N 1 0 409.465 4.220 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000486615750 901750151 /nfs/dbraw/zinc/75/01/51/901750151.db2.gz PXQBSTXDMNRBAI-OAHLLOKOSA-N 1 0 419.572 4.410 20 5 HIBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487009140 902013450 /nfs/dbraw/zinc/01/34/50/902013450.db2.gz GWFRHIKGQCPJOK-IBGZPJMESA-N 1 0 409.530 4.187 20 5 HIBDRO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000487630498 902260279 /nfs/dbraw/zinc/26/02/79/902260279.db2.gz OQKPLTZNPOITNM-LJQANCHMSA-N 1 0 411.527 4.446 20 5 HIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000487891866 902433070 /nfs/dbraw/zinc/43/30/70/902433070.db2.gz DGYLFAQONYRTMJ-JKSUJKDBSA-N 1 0 406.442 4.460 20 5 HIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCOc3ccccc3C(F)(F)F)CC2)n1 ZINC000488732838 902969499 /nfs/dbraw/zinc/96/94/99/902969499.db2.gz NWYAEDITXCOHGT-UHFFFAOYSA-N 1 0 412.412 4.306 20 5 HIBDRO C[C@H]([NH2+][C@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489040718 903144982 /nfs/dbraw/zinc/14/49/82/903144982.db2.gz WIZXNWATSCTONC-IFXJQAMLSA-N 1 0 403.454 4.144 20 5 HIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489486773 903415269 /nfs/dbraw/zinc/41/52/69/903415269.db2.gz SIGWVAXBTZMKKD-YLJYHZDGSA-N 1 0 410.518 4.040 20 5 HIBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000489916891 903672198 /nfs/dbraw/zinc/67/21/98/903672198.db2.gz WESLUFBIUAIWKG-QAPCUYQASA-N 1 0 402.520 4.162 20 5 HIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000489982117 903710541 /nfs/dbraw/zinc/71/05/41/903710541.db2.gz NCBVUXUIHNFARL-SFHVURJKSA-N 1 0 413.543 4.301 20 5 HIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000490087427 903765013 /nfs/dbraw/zinc/76/50/13/903765013.db2.gz IRFOUQIHQJNHAK-UHFFFAOYSA-N 1 0 417.556 4.183 20 5 HIBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1SC ZINC000490193847 903819840 /nfs/dbraw/zinc/81/98/40/903819840.db2.gz QVFMRLKKYXEXFV-UHFFFAOYSA-N 1 0 401.488 4.173 20 5 HIBDRO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491040179 904391145 /nfs/dbraw/zinc/39/11/45/904391145.db2.gz RZPLYRROAXQNHJ-UHFFFAOYSA-N 1 0 400.809 4.233 20 5 HIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCc2nnc3n2CCCCC3)c2ccccc2)c1 ZINC000491058747 904403073 /nfs/dbraw/zinc/40/30/73/904403073.db2.gz YGHNTJOIEJOJKE-QHCPKHFHSA-N 1 0 405.502 4.225 20 5 HIBDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491227736 904490047 /nfs/dbraw/zinc/49/00/47/904490047.db2.gz HYMOSBNABHNGSA-CQSZACIVSA-N 1 0 410.392 4.376 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)o2)cc1 ZINC000506136480 914817936 /nfs/dbraw/zinc/81/79/36/914817936.db2.gz KSMDCRXMJZBCBE-KRWDZBQOSA-N 1 0 403.442 4.277 20 5 HIBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000506136131 914818267 /nfs/dbraw/zinc/81/82/67/914818267.db2.gz KTXIKQQVCQCNMZ-UHFFFAOYSA-N 1 0 413.861 4.500 20 5 HIBDRO Cc1c(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000491541819 904643791 /nfs/dbraw/zinc/64/37/91/904643791.db2.gz VZUWZKHBLUUSBW-LJQANCHMSA-N 1 0 407.392 4.296 20 5 HIBDRO CCOc1cc(C[NH+]2CCC(Nc3cc(OC)cc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000492724090 904894645 /nfs/dbraw/zinc/89/46/45/904894645.db2.gz RLSWPJNWQLJEFT-UHFFFAOYSA-N 1 0 415.490 4.087 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000492758359 904899460 /nfs/dbraw/zinc/89/94/60/904899460.db2.gz UUMJAVBWPXJMJE-HNNXBMFYSA-N 1 0 406.442 4.102 20 5 HIBDRO CN(C)C(=O)c1cccc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493011879 904989532 /nfs/dbraw/zinc/98/95/32/904989532.db2.gz WJKKDCHQXCLLOE-HSZRJFAPSA-N 1 0 403.482 4.218 20 5 HIBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000493081554 905014526 /nfs/dbraw/zinc/01/45/26/905014526.db2.gz RHERSMYTDLGHNK-QYZOEREBSA-N 1 0 402.539 4.260 20 5 HIBDRO O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493299883 905078813 /nfs/dbraw/zinc/07/88/13/905078813.db2.gz BQSOVDRDCLLOPT-GGAORHGYSA-N 1 0 407.514 4.455 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493737857 905208145 /nfs/dbraw/zinc/20/81/45/905208145.db2.gz SMBXFQOBRRUAHL-OAHLLOKOSA-N 1 0 414.449 4.219 20 5 HIBDRO C[C@@H]1[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000494070078 905408933 /nfs/dbraw/zinc/40/89/33/905408933.db2.gz UQQCMTQLDRKBQP-VGSWGCGISA-N 1 0 411.505 4.074 20 5 HIBDRO C[C@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000494182113 905516902 /nfs/dbraw/zinc/51/69/02/905516902.db2.gz HOSUYMAAIOJXDM-HXUWFJFHSA-N 1 0 421.419 4.398 20 5 HIBDRO O=C(NC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427043 921155092 /nfs/dbraw/zinc/15/50/92/921155092.db2.gz KDVNNYPEWTTXQW-JZLODUJNSA-N 1 0 412.465 4.281 20 5 HIBDRO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000494257718 905582230 /nfs/dbraw/zinc/58/22/30/905582230.db2.gz TZLGRLWEDKCXRH-ROUUACIJSA-N 1 0 411.502 4.024 20 5 HIBDRO Cn1cc(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494435560 905720653 /nfs/dbraw/zinc/72/06/53/905720653.db2.gz IWJYHWNZCKGULW-DEOSSOPVSA-N 1 0 419.529 4.140 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494497255 905786356 /nfs/dbraw/zinc/78/63/56/905786356.db2.gz WFMZCAFPGLULFN-UYAOXDASSA-N 1 0 421.856 4.144 20 5 HIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000494503468 905794941 /nfs/dbraw/zinc/79/49/41/905794941.db2.gz OPTLGFSZFDZAFG-UHFFFAOYSA-N 1 0 410.518 4.312 20 5 HIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2C1 ZINC000494510549 905802124 /nfs/dbraw/zinc/80/21/24/905802124.db2.gz YAHAWADUCVMNSE-UHFFFAOYSA-N 1 0 405.458 4.004 20 5 HIBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494808903 906008565 /nfs/dbraw/zinc/00/85/65/906008565.db2.gz MWFJKPCDKIQRQN-OAHLLOKOSA-N 1 0 420.916 4.380 20 5 HIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497740700 907237010 /nfs/dbraw/zinc/23/70/10/907237010.db2.gz SRUZNCMLJOFEIR-QGZVFWFLSA-N 1 0 401.894 4.232 20 5 HIBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000498128865 907646892 /nfs/dbraw/zinc/64/68/92/907646892.db2.gz FQBXXEIKLQAIRG-MJGOQNOKSA-N 1 0 418.497 4.268 20 5 HIBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498141164 907663684 /nfs/dbraw/zinc/66/36/84/907663684.db2.gz VMWRNMVBHYGWHZ-SFHVURJKSA-N 1 0 422.510 4.113 20 5 HIBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)C1 ZINC000498303475 907829407 /nfs/dbraw/zinc/82/94/07/907829407.db2.gz KPOAPJPOLAMLBX-MRXNPFEDSA-N 1 0 420.469 4.116 20 5 HIBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498362322 907857924 /nfs/dbraw/zinc/85/79/24/907857924.db2.gz GBDNSZLSSZYZSD-HOCLYGCPSA-N 1 0 403.866 4.045 20 5 HIBDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC[N@@H+]2C2CC2)c1 ZINC000498386712 907873212 /nfs/dbraw/zinc/87/32/12/907873212.db2.gz KCIUNURHVNAQMK-FPOVZHCZSA-N 1 0 410.474 4.011 20 5 HIBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000498454302 907917958 /nfs/dbraw/zinc/91/79/58/907917958.db2.gz MFJWFSQPBRBTBN-HDICACEKSA-N 1 0 416.566 4.024 20 5 HIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000512865552 921365734 /nfs/dbraw/zinc/36/57/34/921365734.db2.gz UGCQELOMGDCUSA-CYBMUJFWSA-N 1 0 424.906 4.096 20 5 HIBDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC[N@@H+]2C2CC2)c1 ZINC000498561099 908020943 /nfs/dbraw/zinc/02/09/43/908020943.db2.gz QHRRPEZOPZWCDP-CTNGQTDRSA-N 1 0 410.474 4.011 20 5 HIBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000512885282 921381003 /nfs/dbraw/zinc/38/10/03/921381003.db2.gz NMELXMPWZZNUHI-STQMWFEESA-N 1 0 409.280 4.380 20 5 HIBDRO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498713430 908138436 /nfs/dbraw/zinc/13/84/36/908138436.db2.gz IPBWGCWCVATZQC-PKOBYXMFSA-N 1 0 410.518 4.040 20 5 HIBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000499684781 908876625 /nfs/dbraw/zinc/87/66/25/908876625.db2.gz OWWCBAGSIRJFTR-QGZVFWFLSA-N 1 0 424.423 4.009 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000499914616 909030143 /nfs/dbraw/zinc/03/01/43/909030143.db2.gz VESFHNNUFBXDJU-JOCHJYFZSA-N 1 0 410.518 4.001 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3cc(Br)cn3)s2)cc1 ZINC000513032015 921491452 /nfs/dbraw/zinc/49/14/52/921491452.db2.gz JHWQJOFVHHKHAK-UHFFFAOYSA-N 1 0 407.293 4.072 20 5 HIBDRO COc1cc(C[NH2+]CCc2nc(C)oc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000500246705 909736352 /nfs/dbraw/zinc/73/63/52/909736352.db2.gz WOVXEAMPESLOHD-UHFFFAOYSA-N 1 0 411.458 4.120 20 5 HIBDRO C[C@H]1CCCN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000500411205 909842797 /nfs/dbraw/zinc/84/27/97/909842797.db2.gz QWZUXSCUAAGHEY-IBGZPJMESA-N 1 0 424.545 4.035 20 5 HIBDRO CCOc1cc(C[NH2+]C2CCC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000501375343 910503486 /nfs/dbraw/zinc/50/34/86/910503486.db2.gz DLVXIPNMPRJRLZ-UHFFFAOYSA-N 1 0 414.458 4.081 20 5 HIBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000501807657 910857797 /nfs/dbraw/zinc/85/77/97/910857797.db2.gz YLQQKEHMQCTSGH-UHFFFAOYSA-N 1 0 400.262 4.089 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513213347 921628251 /nfs/dbraw/zinc/62/82/51/921628251.db2.gz CNLIXRBOTAUPMT-IBGZPJMESA-N 1 0 410.392 4.114 20 5 HIBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502908106 911894577 /nfs/dbraw/zinc/89/45/77/911894577.db2.gz YSRWHYOTJQIPPC-HXUWFJFHSA-N 1 0 408.502 4.429 20 5 HIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506470776 915069598 /nfs/dbraw/zinc/06/95/98/915069598.db2.gz NPECMWCJJICGJD-ZACQAIPSSA-N 1 0 422.957 4.162 20 5 HIBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000506690136 915369418 /nfs/dbraw/zinc/36/94/18/915369418.db2.gz YWHJCBDHFANVKO-UHFFFAOYSA-N 1 0 410.518 4.101 20 5 HIBDRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506733765 915418655 /nfs/dbraw/zinc/41/86/55/915418655.db2.gz GPGNJCSYALYFPE-UHFFFAOYSA-N 1 0 419.481 4.383 20 5 HIBDRO COc1ccc(OC)c(CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000507250515 916011715 /nfs/dbraw/zinc/01/17/15/916011715.db2.gz AZYQNSWCTBDQJN-UHFFFAOYSA-N 1 0 422.485 4.177 20 5 HIBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507259867 916021511 /nfs/dbraw/zinc/02/15/11/916021511.db2.gz BXZFMQMGLJYYEF-UUWFMWQGSA-N 1 0 405.907 4.269 20 5 HIBDRO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000507449721 916219460 /nfs/dbraw/zinc/21/94/60/916219460.db2.gz IMERXZDUSTZVMS-HZPDHXFCSA-N 1 0 417.531 4.320 20 5 HIBDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507462628 916230307 /nfs/dbraw/zinc/23/03/07/916230307.db2.gz FIVSGJNDEBXGOG-GJZGRUSLSA-N 1 0 403.504 4.011 20 5 HIBDRO Cc1c(NC(=O)CC[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000507634897 916392916 /nfs/dbraw/zinc/39/29/16/916392916.db2.gz JYMAXSWJKPAQBM-UHFFFAOYSA-N 1 0 421.501 4.187 20 5 HIBDRO CCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000508456269 917240682 /nfs/dbraw/zinc/24/06/82/917240682.db2.gz LNLSBSLGJNDTNO-HXUWFJFHSA-N 1 0 411.502 4.120 20 5 HIBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000509691814 918322107 /nfs/dbraw/zinc/32/21/07/918322107.db2.gz FEQLEPIHEJYGTB-DVOMOZLQSA-N 1 0 424.339 4.143 20 5 HIBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000509691815 918322897 /nfs/dbraw/zinc/32/28/97/918322897.db2.gz FEQLEPIHEJYGTB-IOASZLSFSA-N 1 0 424.339 4.143 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000510099608 918663452 /nfs/dbraw/zinc/66/34/52/918663452.db2.gz PFADXKOOIOZQLZ-AEFFLSMTSA-N 1 0 413.543 4.347 20 5 HIBDRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000510143872 918700567 /nfs/dbraw/zinc/70/05/67/918700567.db2.gz MSGNQEMEOBEZKO-UHFFFAOYSA-N 1 0 401.463 4.051 20 5 HIBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510822373 919300352 /nfs/dbraw/zinc/30/03/52/919300352.db2.gz VCRSBDRXLBUBSY-HNNXBMFYSA-N 1 0 424.404 4.138 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000511276766 919873520 /nfs/dbraw/zinc/87/35/20/919873520.db2.gz JLBPLYPKHALTIV-HXUWFJFHSA-N 1 0 412.490 4.261 20 5 HIBDRO Cc1ccc(Sc2ccc(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000511343004 919934250 /nfs/dbraw/zinc/93/42/50/919934250.db2.gz IYUPDADHWISYNP-INIZCTEOSA-N 1 0 411.527 4.435 20 5 HIBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc2sccn21 ZINC000511672616 920338722 /nfs/dbraw/zinc/33/87/22/920338722.db2.gz OOQUZDYBLAMWTD-CYBMUJFWSA-N 1 0 411.409 4.009 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000511830201 920532979 /nfs/dbraw/zinc/53/29/79/920532979.db2.gz OZXVGNQIZGDEAD-IAGOWNOFSA-N 1 0 407.392 4.138 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000511830203 920535274 /nfs/dbraw/zinc/53/52/74/920535274.db2.gz OZXVGNQIZGDEAD-SJORKVTESA-N 1 0 407.392 4.138 20 5 HIBDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000512192250 920935068 /nfs/dbraw/zinc/93/50/68/920935068.db2.gz ATZCVRWIASIIQU-OAHLLOKOSA-N 1 0 403.866 4.270 20 5 HIBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000512341206 921086982 /nfs/dbraw/zinc/08/69/82/921086982.db2.gz CCNPKVGDTBZQER-UGKGYDQZSA-N 1 0 421.501 4.199 20 5 HIBDRO Cc1nn(C)c(Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)c1[N+](=O)[O-] ZINC000513618309 921947634 /nfs/dbraw/zinc/94/76/34/921947634.db2.gz FSQIHINQKDAGIG-UHFFFAOYSA-N 1 0 420.517 4.011 20 5 HIBDRO O=C1CCCN1C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000513788348 922114483 /nfs/dbraw/zinc/11/44/83/922114483.db2.gz PIYBANWGDMLYLI-NNWRFLSQSA-N 1 0 407.514 4.259 20 5 HIBDRO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000513788999 922117023 /nfs/dbraw/zinc/11/70/23/922117023.db2.gz BAUMNPFTOKNASX-AAIMPIBUSA-N 1 0 420.513 4.427 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000513824640 922149824 /nfs/dbraw/zinc/14/98/24/922149824.db2.gz OCHYAULQHOTNSV-MCNSAMFCSA-N 1 0 404.457 4.133 20 5 HIBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000513827918 922154820 /nfs/dbraw/zinc/15/48/20/922154820.db2.gz ZDZAMBHFPKVHHX-IYBDPMFKSA-N 1 0 416.566 4.116 20 5 HIBDRO Cc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[NH+]2CCCC2)o1 ZINC000513989967 922312711 /nfs/dbraw/zinc/31/27/11/922312711.db2.gz QPCJMFMEAAVDCB-HNNXBMFYSA-N 1 0 424.404 4.056 20 5 HIBDRO CCC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000514055003 922376400 /nfs/dbraw/zinc/37/64/00/922376400.db2.gz ABGKSZKRZRGMAI-UHFFFAOYSA-N 1 0 413.493 4.085 20 5 HIBDRO Cn1ccnc1[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000514081042 922404385 /nfs/dbraw/zinc/40/43/85/922404385.db2.gz AGPLCUDSFWSQNL-HSZRJFAPSA-N 1 0 419.529 4.193 20 5 HIBDRO CC1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[NH+](Cc2ccccc2)CC1 ZINC000515565733 923183174 /nfs/dbraw/zinc/18/31/74/923183174.db2.gz ULQLPGFNVOZIMK-UHFFFAOYSA-N 1 0 420.513 4.037 20 5 HIBDRO CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[NH+](C)C)cc1 ZINC000515607559 923212704 /nfs/dbraw/zinc/21/27/04/923212704.db2.gz URXKXDWWWYAJQA-QFIPXVFZSA-N 1 0 410.518 4.108 20 5 HIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000517447668 924196432 /nfs/dbraw/zinc/19/64/32/924196432.db2.gz WEBYTCPKAAOKSL-UHFFFAOYSA-N 1 0 405.454 4.004 20 5 HIBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C2 ZINC000517538885 924252112 /nfs/dbraw/zinc/25/21/12/924252112.db2.gz RKKHVHFBLWFBNR-SFHVURJKSA-N 1 0 408.433 4.272 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000517537239 924252332 /nfs/dbraw/zinc/25/23/32/924252332.db2.gz MOTLWDPFSUDSQP-XZOQPEGZSA-N 1 0 417.513 4.164 20 5 HIBDRO COc1cc(C[NH2+][C@@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000517551146 924261034 /nfs/dbraw/zinc/26/10/34/924261034.db2.gz AGLRLCXPPLMKGX-QFBILLFUSA-N 1 0 400.475 4.230 20 5 HIBDRO C[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000562395641 945069127 /nfs/dbraw/zinc/06/91/27/945069127.db2.gz URTFKPXBSOEGGA-QGZVFWFLSA-N 1 0 424.501 4.152 20 5 HIBDRO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000518032766 926970249 /nfs/dbraw/zinc/97/02/49/926970249.db2.gz MDDBMWZFVIKTAN-UHFFFAOYSA-N 1 0 401.894 4.199 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(Cc4cccc(F)c4)CCOCC3)co2)cc1 ZINC000518134522 927040994 /nfs/dbraw/zinc/04/09/94/927040994.db2.gz NYJNRWPBAKXIMU-UHFFFAOYSA-N 1 0 411.433 4.270 20 5 HIBDRO COc1cc(C[NH2+]C[C@H]2CCCCN2Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1O ZINC000518302834 927164660 /nfs/dbraw/zinc/16/46/60/927164660.db2.gz NOJLUTHJNDIHER-GOSISDBHSA-N 1 0 419.909 4.107 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000518568586 927351411 /nfs/dbraw/zinc/35/14/11/927351411.db2.gz WVFLNWQNASNAQJ-HXUWFJFHSA-N 1 0 412.490 4.026 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccc(O)c2)cc1 ZINC000518780636 927487655 /nfs/dbraw/zinc/48/76/55/927487655.db2.gz ZWYDQTJIWWVHEW-UHFFFAOYSA-N 1 0 400.438 4.443 20 5 HIBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000519931732 928164603 /nfs/dbraw/zinc/16/46/03/928164603.db2.gz RWWVJDWWHZCFSL-UHFFFAOYSA-N 1 0 420.922 4.484 20 5 HIBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000520105843 928314092 /nfs/dbraw/zinc/31/40/92/928314092.db2.gz TXBMPQRMYPKRMO-UHFFFAOYSA-N 1 0 419.453 4.292 20 5 HIBDRO CC[NH+](CC)Cc1ccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000520439327 928566132 /nfs/dbraw/zinc/56/61/32/928566132.db2.gz KCUMKOFNUORTSY-JOCHJYFZSA-N 1 0 407.518 4.049 20 5 HIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000521096417 928991545 /nfs/dbraw/zinc/99/15/45/928991545.db2.gz JODGQAUVKMWWEX-UHFFFAOYSA-N 1 0 405.907 4.358 20 5 HIBDRO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000521173831 929042840 /nfs/dbraw/zinc/04/28/40/929042840.db2.gz JRIFLMTTZOWCML-QGZVFWFLSA-N 1 0 407.873 4.150 20 5 HIBDRO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000521195717 929054572 /nfs/dbraw/zinc/05/45/72/929054572.db2.gz QEBXMILOORBTCU-SFHVURJKSA-N 1 0 412.408 4.264 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cccnc3)o2)c(Br)c1 ZINC000521820219 929477656 /nfs/dbraw/zinc/47/76/56/929477656.db2.gz AOSJIBKSRRTFEI-UHFFFAOYSA-N 1 0 402.248 4.345 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000524644583 929756932 /nfs/dbraw/zinc/75/69/32/929756932.db2.gz PNSAQYOUZYHECN-UGSOOPFHSA-N 1 0 405.545 4.191 20 5 HIBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000524774663 929825067 /nfs/dbraw/zinc/82/50/67/929825067.db2.gz UZMDWGOZGIQSCD-CQSZACIVSA-N 1 0 403.866 4.112 20 5 HIBDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000524771263 929825292 /nfs/dbraw/zinc/82/52/92/929825292.db2.gz MUDSRBRGXHUZJQ-CYBMUJFWSA-N 1 0 408.296 4.049 20 5 HIBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000524799212 929833530 /nfs/dbraw/zinc/83/35/30/929833530.db2.gz TUCOBOVMZMBTBX-FQEVSTJZSA-N 1 0 414.506 4.037 20 5 HIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000525551268 930320270 /nfs/dbraw/zinc/32/02/70/930320270.db2.gz HMBURRSNEHXWHI-MGPUTAFESA-N 1 0 414.531 4.044 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000530679969 930796451 /nfs/dbraw/zinc/79/64/51/930796451.db2.gz GEDCCHMAGWAGCP-QGZVFWFLSA-N 1 0 413.543 4.198 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000530965443 930870215 /nfs/dbraw/zinc/87/02/15/930870215.db2.gz WMNLRGKECZMLTM-STQMWFEESA-N 1 0 411.380 4.480 20 5 HIBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1C(F)(F)F ZINC000531094084 930917542 /nfs/dbraw/zinc/91/75/42/930917542.db2.gz UODNNBKROPXTJE-UHFFFAOYSA-N 1 0 409.408 4.182 20 5 HIBDRO CCC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000531703358 931165086 /nfs/dbraw/zinc/16/50/86/931165086.db2.gz ZTAFNUYPVUBBTJ-OAQYLSRUSA-N 1 0 419.547 4.054 20 5 HIBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000531758875 931185070 /nfs/dbraw/zinc/18/50/70/931185070.db2.gz VEWXCOWNBMRKLO-AWEZNQCLSA-N 1 0 418.412 4.126 20 5 HIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCO[C@H]2CCOC2)ccc1Oc1ccccc1Cl ZINC000531789797 931197727 /nfs/dbraw/zinc/19/77/27/931197727.db2.gz LAEKQURENXYPOL-INIZCTEOSA-N 1 0 406.866 4.326 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531955434 931263443 /nfs/dbraw/zinc/26/34/43/931263443.db2.gz DKPIBADTFXWYJJ-LAUBAEHRSA-N 1 0 411.502 4.398 20 5 HIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532119784 931320550 /nfs/dbraw/zinc/32/05/50/931320550.db2.gz GXOZBUKKWHGZAX-NJYVYQBISA-N 1 0 412.486 4.230 20 5 HIBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532238202 931366197 /nfs/dbraw/zinc/36/61/97/931366197.db2.gz UDXHCSORTAJOGV-WZONZLPQSA-N 1 0 418.497 4.203 20 5 HIBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532238180 931366511 /nfs/dbraw/zinc/36/65/11/931366511.db2.gz UDXHCSORTAJOGV-FDDCHVKYSA-N 1 0 418.497 4.203 20 5 HIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000532570907 931533386 /nfs/dbraw/zinc/53/33/86/931533386.db2.gz DQENNVNSUJMLLU-XXBNENTESA-N 1 0 422.529 4.001 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000532827484 931643757 /nfs/dbraw/zinc/64/37/57/931643757.db2.gz RYBQOFUZMVXMBQ-UHFFFAOYSA-N 1 0 417.893 4.429 20 5 HIBDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532911243 931690395 /nfs/dbraw/zinc/69/03/95/931690395.db2.gz UGPGSTQOCKZKCZ-KRWDZBQOSA-N 1 0 406.280 4.379 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000532978831 931723911 /nfs/dbraw/zinc/72/39/11/931723911.db2.gz LWZMHPWXAAAPJD-UHFFFAOYSA-N 1 0 409.486 4.261 20 5 HIBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] ZINC000533047643 931752051 /nfs/dbraw/zinc/75/20/51/931752051.db2.gz QYIVTYLSKXRVEC-INIZCTEOSA-N 1 0 412.421 4.172 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccc(Br)c1 ZINC000533252121 931819896 /nfs/dbraw/zinc/81/98/96/931819896.db2.gz JBNKEHLUMLLZDO-UHFFFAOYSA-N 1 0 406.280 4.126 20 5 HIBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000533524475 931894372 /nfs/dbraw/zinc/89/43/72/931894372.db2.gz HUHWFPYJDGIDOU-NRFANRHFSA-N 1 0 421.501 4.346 20 5 HIBDRO Cc1cnccc1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000533638389 931939040 /nfs/dbraw/zinc/93/90/40/931939040.db2.gz UVIFMTFJZAGCOW-UHFFFAOYSA-N 1 0 413.481 4.483 20 5 HIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534233595 932353485 /nfs/dbraw/zinc/35/34/85/932353485.db2.gz HJOUKIRZTZNDPD-UHFFFAOYSA-N 1 0 408.502 4.423 20 5 HIBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C2)CC1 ZINC000534413100 932433092 /nfs/dbraw/zinc/43/30/92/932433092.db2.gz ZJICDSGBDVGSMN-OAQYLSRUSA-N 1 0 422.529 4.011 20 5 HIBDRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000534700352 932671400 /nfs/dbraw/zinc/67/14/00/932671400.db2.gz HSKVYDMKAVASJU-QHCPKHFHSA-N 1 0 419.481 4.424 20 5 HIBDRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000534700343 932672170 /nfs/dbraw/zinc/67/21/70/932672170.db2.gz HSKVYDMKAVASJU-HSZRJFAPSA-N 1 0 419.481 4.424 20 5 HIBDRO COc1cc(C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)ccc1O ZINC000534865046 932814004 /nfs/dbraw/zinc/81/40/04/932814004.db2.gz KOHRZNCUXBKNDG-UHFFFAOYSA-N 1 0 409.442 4.171 20 5 HIBDRO C[NH+]1CCC([C@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000535156234 932973749 /nfs/dbraw/zinc/97/37/49/932973749.db2.gz NGXCCZYVBRQAGJ-AWEZNQCLSA-N 1 0 419.323 4.074 20 5 HIBDRO C[NH+]1CCC([C@@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000535156237 932974039 /nfs/dbraw/zinc/97/40/39/932974039.db2.gz NGXCCZYVBRQAGJ-CQSZACIVSA-N 1 0 419.323 4.074 20 5 HIBDRO COc1cccc(NC(=O)[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000535411084 933122459 /nfs/dbraw/zinc/12/24/59/933122459.db2.gz JKCQURBEIUJOIL-QFIPXVFZSA-N 1 0 405.454 4.116 20 5 HIBDRO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000535432246 933131851 /nfs/dbraw/zinc/13/18/51/933131851.db2.gz OBYPSRFXBVZWTG-AVRDEDQJSA-N 1 0 410.518 4.004 20 5 HIBDRO C[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1Cc1ccccc1 ZINC000535694232 933349361 /nfs/dbraw/zinc/34/93/61/933349361.db2.gz REAVGMRJAUMMAS-WMZOPIPTSA-N 1 0 406.486 4.201 20 5 HIBDRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000537323679 933716736 /nfs/dbraw/zinc/71/67/36/933716736.db2.gz LHABWKOOTVYQMD-PGRDOPGGSA-N 1 0 419.529 4.138 20 5 HIBDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537346712 933728753 /nfs/dbraw/zinc/72/87/53/933728753.db2.gz BJQRRZUGIIXYBD-LIRRHRJNSA-N 1 0 421.419 4.455 20 5 HIBDRO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562925878 945153814 /nfs/dbraw/zinc/15/38/14/945153814.db2.gz GMUKNOOSCLWBLU-QFBILLFUSA-N 1 0 401.532 4.349 20 5 HIBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618779 938335191 /nfs/dbraw/zinc/33/51/91/938335191.db2.gz KQIDHCUAWDDSHS-LAUBAEHRSA-N 1 0 413.518 4.097 20 5 HIBDRO COc1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537648640 938346126 /nfs/dbraw/zinc/34/61/26/938346126.db2.gz WXWZCKJSXIHTBF-UXHICEINSA-N 1 0 412.486 4.041 20 5 HIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)s1 ZINC000537649960 938346946 /nfs/dbraw/zinc/34/69/46/938346946.db2.gz RUCLUJYTXYPXKX-KRWDZBQOSA-N 1 0 400.422 4.459 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(Cn4ccnn4)CC3)o2)c(Cl)c1 ZINC000537702183 938359659 /nfs/dbraw/zinc/35/96/59/938359659.db2.gz STPZBJOIXDFYOR-UHFFFAOYSA-N 1 0 401.854 4.012 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000537942518 938426059 /nfs/dbraw/zinc/42/60/59/938426059.db2.gz GLUDWCKLNJOKQY-RZFNWQHOSA-N 1 0 407.518 4.474 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000538034838 938475209 /nfs/dbraw/zinc/47/52/09/938475209.db2.gz JTXKJPXSNJBBJM-UHFFFAOYSA-N 1 0 416.566 4.389 20 5 HIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538124644 938511209 /nfs/dbraw/zinc/51/12/09/938511209.db2.gz HIHQZERUBMGDTP-IRXDYDNUSA-N 1 0 420.469 4.247 20 5 HIBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538125707 938511928 /nfs/dbraw/zinc/51/19/28/938511928.db2.gz YVPACWBUSNWLMM-AZUAARDMSA-N 1 0 400.475 4.087 20 5 HIBDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000538151111 938523149 /nfs/dbraw/zinc/52/31/49/938523149.db2.gz OGYUVPFLXJGXAU-ZDUSSCGKSA-N 1 0 421.881 4.335 20 5 HIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538163708 938531237 /nfs/dbraw/zinc/53/12/37/938531237.db2.gz QULAPAYFZZFQSD-CHWSQXEVSA-N 1 0 411.380 4.214 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000538224413 938563962 /nfs/dbraw/zinc/56/39/62/938563962.db2.gz AWBILSXNYFSOLM-HXUWFJFHSA-N 1 0 407.417 4.197 20 5 HIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000538241533 938571529 /nfs/dbraw/zinc/57/15/29/938571529.db2.gz VVIJGBUFMSEYJI-LBPRGKRZSA-N 1 0 411.380 4.302 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000538271559 938580271 /nfs/dbraw/zinc/58/02/71/938580271.db2.gz RIOGMERRHOXTNZ-SJLPKXTDSA-N 1 0 413.543 4.488 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+]CCc2nc3sc4c(c3c(N)n2)CCCC4)cc1[N+](=O)[O-] ZINC000538278069 938581980 /nfs/dbraw/zinc/58/19/80/938581980.db2.gz JTQWCYUVYKPAGL-ZDUSSCGKSA-N 1 0 411.531 4.262 20 5 HIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] ZINC000538280882 938582478 /nfs/dbraw/zinc/58/24/78/938582478.db2.gz XKDJVTOZWGPFFB-CYBMUJFWSA-N 1 0 419.865 4.007 20 5 HIBDRO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000538388958 938608890 /nfs/dbraw/zinc/60/88/90/938608890.db2.gz MRPWUGJEXOPMJF-GOSISDBHSA-N 1 0 404.264 4.037 20 5 HIBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538716933 938688944 /nfs/dbraw/zinc/68/89/44/938688944.db2.gz NZWIDNNCGFKLFV-YLJYHZDGSA-N 1 0 413.518 4.097 20 5 HIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000538788102 938711841 /nfs/dbraw/zinc/71/18/41/938711841.db2.gz KFOSZFTUPWTTNM-UONOGXRCSA-N 1 0 401.438 4.079 20 5 HIBDRO CN(c1ccccc1)c1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000538795318 938714087 /nfs/dbraw/zinc/71/40/87/938714087.db2.gz URNXSCTZHBXUEA-ODGPQVTHSA-N 1 0 424.545 4.046 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539357651 938847624 /nfs/dbraw/zinc/84/76/24/938847624.db2.gz ABXLEUQWVZPXAP-IBGZPJMESA-N 1 0 413.543 4.442 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539357652 938847660 /nfs/dbraw/zinc/84/76/60/938847660.db2.gz ABXLEUQWVZPXAP-LJQANCHMSA-N 1 0 413.543 4.442 20 5 HIBDRO Cn1cc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539415542 938857460 /nfs/dbraw/zinc/85/74/60/938857460.db2.gz IKMQXNKEKUNWHF-UHFFFAOYSA-N 1 0 406.364 4.184 20 5 HIBDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000539492360 938867833 /nfs/dbraw/zinc/86/78/33/938867833.db2.gz RIEGWJPVXIPLJY-IBGZPJMESA-N 1 0 404.438 4.184 20 5 HIBDRO CC[C@@H](C(=O)N1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000539497333 938868918 /nfs/dbraw/zinc/86/89/18/938868918.db2.gz DOJWADVBHLJYCL-OJTSNAHWSA-N 1 0 407.514 4.382 20 5 HIBDRO Cn1cccc1C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539818606 938942012 /nfs/dbraw/zinc/94/20/12/938942012.db2.gz ADFKTFZDUZCBAD-UHFFFAOYSA-N 1 0 401.470 4.418 20 5 HIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000539831334 938950737 /nfs/dbraw/zinc/95/07/37/938950737.db2.gz KNJJIXMECDLFTK-GOEBONIOSA-N 1 0 404.772 4.396 20 5 HIBDRO COC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000539831121 938951097 /nfs/dbraw/zinc/95/10/97/938951097.db2.gz TXUOBGSPZSDYLP-IBGZPJMESA-N 1 0 400.475 4.041 20 5 HIBDRO CC1CC[NH+](CCc2cccc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c2)CC1 ZINC000539874745 938963137 /nfs/dbraw/zinc/96/31/37/938963137.db2.gz NMUWTSWEMIDHDP-UHFFFAOYSA-N 1 0 422.529 4.459 20 5 HIBDRO COc1cc(C[N@@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539900720 938973173 /nfs/dbraw/zinc/97/31/73/938973173.db2.gz WPWRKPZSUUQRNX-ZDUSSCGKSA-N 1 0 408.442 4.262 20 5 HIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000540149494 939091858 /nfs/dbraw/zinc/09/18/58/939091858.db2.gz UVSNRPAIIIAIIY-OALUTQOASA-N 1 0 413.543 4.104 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000540155411 939094382 /nfs/dbraw/zinc/09/43/82/939094382.db2.gz FEDGIVAIRNLHFK-ZDUSSCGKSA-N 1 0 411.380 4.043 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000540170201 939101490 /nfs/dbraw/zinc/10/14/90/939101490.db2.gz ZIOQUPXEMYWEOU-SFHVURJKSA-N 1 0 412.877 4.452 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000540170198 939101533 /nfs/dbraw/zinc/10/15/33/939101533.db2.gz ZIOQUPXEMYWEOU-GOSISDBHSA-N 1 0 412.877 4.452 20 5 HIBDRO CC[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000540354029 939205071 /nfs/dbraw/zinc/20/50/71/939205071.db2.gz HCJDOUMWMZEAIT-HNNXBMFYSA-N 1 0 421.400 4.235 20 5 HIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000540376694 939217121 /nfs/dbraw/zinc/21/71/21/939217121.db2.gz RILOJZBTPRFEOS-HNNXBMFYSA-N 1 0 409.364 4.176 20 5 HIBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000540378367 939218180 /nfs/dbraw/zinc/21/81/80/939218180.db2.gz GZFDQWVNPVMGSJ-GOSISDBHSA-N 1 0 418.291 4.087 20 5 HIBDRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)C[C@H]1CCCCO1 ZINC000540421495 939242428 /nfs/dbraw/zinc/24/24/28/939242428.db2.gz MCLUNLROYKHDNN-GOSISDBHSA-N 1 0 401.463 4.220 20 5 HIBDRO C[N@H+](CCc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1)C1CC1 ZINC000540431142 939246373 /nfs/dbraw/zinc/24/63/73/939246373.db2.gz WCAMQQKMIGKIME-UHFFFAOYSA-N 1 0 418.291 4.246 20 5 HIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000540478443 939268876 /nfs/dbraw/zinc/26/88/76/939268876.db2.gz GRSPZTAKOQTUHN-NWDGAFQWSA-N 1 0 402.451 4.330 20 5 HIBDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000540513107 939283479 /nfs/dbraw/zinc/28/34/79/939283479.db2.gz FKMZVGNONFIKIF-FQEVSTJZSA-N 1 0 413.909 4.041 20 5 HIBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000540592000 939313772 /nfs/dbraw/zinc/31/37/72/939313772.db2.gz HNYXBKJPFWTTEB-FQEVSTJZSA-N 1 0 408.483 4.398 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000540618794 939321958 /nfs/dbraw/zinc/32/19/58/939321958.db2.gz AZLDPCCUAFBYEO-IBGZPJMESA-N 1 0 417.550 4.175 20 5 HIBDRO CCOc1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000540749430 939357638 /nfs/dbraw/zinc/35/76/38/939357638.db2.gz HOHBXGVCUHVICB-KRWDZBQOSA-N 1 0 413.518 4.371 20 5 HIBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000541324796 939490986 /nfs/dbraw/zinc/49/09/86/939490986.db2.gz ZAWFBQBVVXGILE-MRXNPFEDSA-N 1 0 410.392 4.022 20 5 HIBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000541634237 939577827 /nfs/dbraw/zinc/57/78/27/939577827.db2.gz QHWHXUUVBXYUNN-YCPHGPKFSA-N 1 0 412.408 4.135 20 5 HIBDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000541654442 939589828 /nfs/dbraw/zinc/58/98/28/939589828.db2.gz TXPPDPGUWNCAHN-LLVKDONJSA-N 1 0 414.462 4.116 20 5 HIBDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1)CC(C)C ZINC000541708706 939611012 /nfs/dbraw/zinc/61/10/12/939611012.db2.gz UGTVUJVVEOOXKM-KRWDZBQOSA-N 1 0 407.530 4.444 20 5 HIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000541718734 939613942 /nfs/dbraw/zinc/61/39/42/939613942.db2.gz NZMNEFDFJAUPLD-XMSQKQJNSA-N 1 0 423.513 4.474 20 5 HIBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC[C@H]21 ZINC000541726248 939615132 /nfs/dbraw/zinc/61/51/32/939615132.db2.gz KHOKEPWPJPAJRC-YLJYHZDGSA-N 1 0 417.575 4.433 20 5 HIBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890510 939649360 /nfs/dbraw/zinc/64/93/60/939649360.db2.gz NFJAWBBBHUQUMB-HKUYNNGSSA-N 1 0 406.486 4.040 20 5 HIBDRO CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000542035498 939694502 /nfs/dbraw/zinc/69/45/02/939694502.db2.gz FUQOGVRBXDVKJV-APWZRJJASA-N 1 0 412.490 4.293 20 5 HIBDRO COc1ccc(C[NH+]2CCC(CCCO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542171952 939743094 /nfs/dbraw/zinc/74/30/94/939743094.db2.gz NTEBOPBYXRJTCP-UHFFFAOYSA-N 1 0 414.502 4.167 20 5 HIBDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000542209333 939757565 /nfs/dbraw/zinc/75/75/65/939757565.db2.gz HXEYHCKCXAMKLJ-UHFFFAOYSA-N 1 0 417.314 4.200 20 5 HIBDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000542259293 939774309 /nfs/dbraw/zinc/77/43/09/939774309.db2.gz LUSYCXQLKDCFER-OAHLLOKOSA-N 1 0 408.545 4.220 20 5 HIBDRO CCc1ccc([C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542479146 939830197 /nfs/dbraw/zinc/83/01/97/939830197.db2.gz RPMIBUVFUMQBLZ-JOCHJYFZSA-N 1 0 423.469 4.327 20 5 HIBDRO C[C@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000542529848 939838125 /nfs/dbraw/zinc/83/81/25/939838125.db2.gz VGMGPIFBJDTBHM-ZACQAIPSSA-N 1 0 413.493 4.110 20 5 HIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542887243 939865518 /nfs/dbraw/zinc/86/55/18/939865518.db2.gz ZBSYGNNYVZMROJ-UHFFFAOYSA-N 1 0 405.401 4.353 20 5 HIBDRO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000542945938 939883721 /nfs/dbraw/zinc/88/37/21/939883721.db2.gz ZVAGRIQMFROFSM-SFHVURJKSA-N 1 0 404.555 4.064 20 5 HIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000543020444 939896399 /nfs/dbraw/zinc/89/63/99/939896399.db2.gz BKXVDCPVWZWPKS-UHFFFAOYSA-N 1 0 416.566 4.169 20 5 HIBDRO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000543480172 940078255 /nfs/dbraw/zinc/07/82/55/940078255.db2.gz KKORCMILBFNGQT-UXDRXVOSSA-N 1 0 411.477 4.149 20 5 HIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000543630773 940142662 /nfs/dbraw/zinc/14/26/62/940142662.db2.gz VCTCDLGMFJQZQF-NRFANRHFSA-N 1 0 411.502 4.145 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000543633357 940143186 /nfs/dbraw/zinc/14/31/86/940143186.db2.gz FHXCZJYQFODWDG-LJQANCHMSA-N 1 0 421.419 4.203 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccccc1Br ZINC000543778081 940184113 /nfs/dbraw/zinc/18/41/13/940184113.db2.gz TWLBLPVLWDAUOK-KDOFPFPSSA-N 1 0 407.308 4.392 20 5 HIBDRO COc1cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000544167712 940342099 /nfs/dbraw/zinc/34/20/99/940342099.db2.gz OPMKVLVTWBLCOR-ROUUACIJSA-N 1 0 414.502 4.477 20 5 HIBDRO Cc1c(Br)c(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000544395258 940410900 /nfs/dbraw/zinc/41/09/00/940410900.db2.gz JZHPEYYWYDDOMR-OAHLLOKOSA-N 1 0 411.344 4.009 20 5 HIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000544608153 940489566 /nfs/dbraw/zinc/48/95/66/940489566.db2.gz LDTAKWXPBIKMAP-UHFFFAOYSA-N 1 0 405.292 4.461 20 5 HIBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000546761237 940878466 /nfs/dbraw/zinc/87/84/66/940878466.db2.gz XPXBVMCRCFJFRW-OXJNMPFZSA-N 1 0 406.866 4.324 20 5 HIBDRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)nc12 ZINC000546930535 940916894 /nfs/dbraw/zinc/91/68/94/940916894.db2.gz JSJZHHLTCNZCCE-CYBMUJFWSA-N 1 0 403.280 4.207 20 5 HIBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)CC2 ZINC000546973282 940932399 /nfs/dbraw/zinc/93/23/99/940932399.db2.gz KOTQDPAMAPCAQV-UHFFFAOYSA-N 1 0 411.527 4.446 20 5 HIBDRO COc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000548826125 941125569 /nfs/dbraw/zinc/12/55/69/941125569.db2.gz UVVFZEJAKIPRQB-UHFFFAOYSA-N 1 0 413.474 4.043 20 5 HIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549942195 941243825 /nfs/dbraw/zinc/24/38/25/941243825.db2.gz RAWVJFVSSBICFB-HIFRSBDPSA-N 1 0 407.392 4.179 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000551242904 941434542 /nfs/dbraw/zinc/43/45/42/941434542.db2.gz YCEMFHMAXYAVNR-WWMYMODYSA-N 1 0 413.493 4.397 20 5 HIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000551259526 941437339 /nfs/dbraw/zinc/43/73/39/941437339.db2.gz QICRHWUHLMFDIX-UONOGXRCSA-N 1 0 424.339 4.049 20 5 HIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000551274633 941441358 /nfs/dbraw/zinc/44/13/58/941441358.db2.gz SWTSQRDDODPOSN-CBGDNZLLSA-N 1 0 413.493 4.397 20 5 HIBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000551277056 941442221 /nfs/dbraw/zinc/44/22/21/941442221.db2.gz GTARTYNADLQGEV-KRWDZBQOSA-N 1 0 411.502 4.232 20 5 HIBDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000551568877 941503295 /nfs/dbraw/zinc/50/32/95/941503295.db2.gz AFSVBSDASKUYPE-QRWLVFNGSA-N 1 0 422.909 4.288 20 5 HIBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000551814765 941551168 /nfs/dbraw/zinc/55/11/68/941551168.db2.gz VCGUNXSJWFMXPJ-JLTOFOAXSA-N 1 0 402.516 4.462 20 5 HIBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)s1 ZINC000552002951 941565938 /nfs/dbraw/zinc/56/59/38/941565938.db2.gz HWMLIQSOAVCPNB-OAHLLOKOSA-N 1 0 412.515 4.040 20 5 HIBDRO C[C@H](c1ccccc1)[NH+]1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552043565 941572561 /nfs/dbraw/zinc/57/25/61/941572561.db2.gz SFGYPIVEKQJVHO-JPYJTQIMSA-N 1 0 419.529 4.233 20 5 HIBDRO Cn1ccnc1[C@@H](NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552063606 941576917 /nfs/dbraw/zinc/57/69/17/941576917.db2.gz FFLXCYMZNWQOHO-NRFANRHFSA-N 1 0 411.550 4.054 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000552209435 941603054 /nfs/dbraw/zinc/60/30/54/941603054.db2.gz CLKICHOQJKYYNK-AWEZNQCLSA-N 1 0 407.923 4.045 20 5 HIBDRO CCC[N@H+](C)[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000552241983 941611367 /nfs/dbraw/zinc/61/13/67/941611367.db2.gz KJDDGLGUUKXVRQ-IBGZPJMESA-N 1 0 405.882 4.070 20 5 HIBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000552320645 941630713 /nfs/dbraw/zinc/63/07/13/941630713.db2.gz CJRIPFLUJJLDIT-KDOFPFPSSA-N 1 0 401.463 4.070 20 5 HIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000552319838 941630724 /nfs/dbraw/zinc/63/07/24/941630724.db2.gz QMJQYGZDXFQFBQ-KRWDZBQOSA-N 1 0 420.469 4.076 20 5 HIBDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000552320643 941630828 /nfs/dbraw/zinc/63/08/28/941630828.db2.gz CJRIPFLUJJLDIT-KBXCAEBGSA-N 1 0 401.463 4.070 20 5 HIBDRO CCC[N@H+](C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553242855 941855692 /nfs/dbraw/zinc/85/56/92/941855692.db2.gz MRYUUYXMIJAHQN-IBGZPJMESA-N 1 0 415.881 4.392 20 5 HIBDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000554015890 942019869 /nfs/dbraw/zinc/01/98/69/942019869.db2.gz KMHGBZYWOWHDTM-QVKFZJNVSA-N 1 0 417.481 4.044 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](CO)c3ccccc3Cl)cs2)c1 ZINC000554720198 942210521 /nfs/dbraw/zinc/21/05/21/942210521.db2.gz XMTXVGKERRFMDU-AWEZNQCLSA-N 1 0 403.891 4.237 20 5 HIBDRO O=C(C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000555071785 942376715 /nfs/dbraw/zinc/37/67/15/942376715.db2.gz WDUGUWAHPCGVAX-HXUWFJFHSA-N 1 0 419.403 4.244 20 5 HIBDRO CC(=O)c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000555231684 942439092 /nfs/dbraw/zinc/43/90/92/942439092.db2.gz AIOFTRCYELCOEN-OAQYLSRUSA-N 1 0 423.513 4.138 20 5 HIBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000555358684 942493616 /nfs/dbraw/zinc/49/36/16/942493616.db2.gz ZBVHROFZKFDTNC-UHFFFAOYSA-N 1 0 414.554 4.066 20 5 HIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000556850630 942939824 /nfs/dbraw/zinc/93/98/24/942939824.db2.gz QNCDXWZZCVGFSL-GDBMZVCRSA-N 1 0 421.950 4.190 20 5 HIBDRO C[C@H]([NH2+]C(C)(C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000556873198 942947068 /nfs/dbraw/zinc/94/70/68/942947068.db2.gz UXAMAVIPDICFHV-LAUBAEHRSA-N 1 0 407.518 4.137 20 5 HIBDRO CC1CC[NH+](C2CCC(N[C@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000556887505 942952093 /nfs/dbraw/zinc/95/20/93/942952093.db2.gz YNPXXPMGRLFJNP-AOMIVXANSA-N 1 0 411.550 4.050 20 5 HIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4ccc(Cl)cc4)CC3)o2)c1 ZINC000557029045 942998795 /nfs/dbraw/zinc/99/87/95/942998795.db2.gz MSPWDVVRNADLLD-UHFFFAOYSA-N 1 0 412.877 4.268 20 5 HIBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000557039060 943001455 /nfs/dbraw/zinc/00/14/55/943001455.db2.gz UQASVWHTPXQKGL-UGSOOPFHSA-N 1 0 407.392 4.006 20 5 HIBDRO CCN1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558896250 943729038 /nfs/dbraw/zinc/72/90/38/943729038.db2.gz IRYKLWCQRREIPP-OXJNMPFZSA-N 1 0 418.856 4.454 20 5 HIBDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000558899447 943733936 /nfs/dbraw/zinc/73/39/36/943733936.db2.gz UBCALCDHBRYLDN-GHTZIAJQSA-N 1 0 405.445 4.195 20 5 HIBDRO Cc1ccc(NC(=O)c2ccc(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)c([N+](=O)[O-])c2)cc1 ZINC000558950637 943770031 /nfs/dbraw/zinc/77/00/31/943770031.db2.gz FEFZPHHOGWUXTN-QHCPKHFHSA-N 1 0 408.502 4.078 20 5 HIBDRO CCc1nc2cc(C[NH2+][C@H](C)CC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1C1CC1 ZINC000558968909 943775108 /nfs/dbraw/zinc/77/51/08/943775108.db2.gz VUPQYSXLZZZJBP-OAHLLOKOSA-N 1 0 421.501 4.349 20 5 HIBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000559497255 943984004 /nfs/dbraw/zinc/98/40/04/943984004.db2.gz LEHVJEWNFFACEH-UHFFFAOYSA-N 1 0 420.307 4.047 20 5 HIBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c2ccccc21 ZINC000559836964 944063732 /nfs/dbraw/zinc/06/37/32/944063732.db2.gz MXTMACKRGIGSMC-CQSZACIVSA-N 1 0 402.447 4.012 20 5 HIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000560482172 944236289 /nfs/dbraw/zinc/23/62/89/944236289.db2.gz KXNZJWOZASTXGX-OAHLLOKOSA-N 1 0 419.572 4.281 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000560538595 944246535 /nfs/dbraw/zinc/24/65/35/944246535.db2.gz MISWIMZPTSTDFZ-SYYKKAFVSA-N 1 0 411.502 4.173 20 5 HIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000560541486 944247783 /nfs/dbraw/zinc/24/77/83/944247783.db2.gz OIMZZIJKKFCMRG-QWJIHBKKSA-N 1 0 411.502 4.171 20 5 HIBDRO Cn1ccnc1[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560551273 944251295 /nfs/dbraw/zinc/25/12/95/944251295.db2.gz YIANNLMNJHNPLI-OAQYLSRUSA-N 1 0 423.542 4.079 20 5 HIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000560569356 944257173 /nfs/dbraw/zinc/25/71/73/944257173.db2.gz DCYZHJQWWZMDTD-LBKNJMOBSA-N 1 0 412.490 4.076 20 5 HIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000560596602 944268061 /nfs/dbraw/zinc/26/80/61/944268061.db2.gz OPVMESUUBIAMFP-UHFFFAOYSA-N 1 0 416.547 4.084 20 5 HIBDRO Cn1cc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560611456 944273390 /nfs/dbraw/zinc/27/33/90/944273390.db2.gz BPJUVWGJOCJPOW-FQEVSTJZSA-N 1 0 412.877 4.302 20 5 HIBDRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000562299544 945055160 /nfs/dbraw/zinc/05/51/60/945055160.db2.gz HFRQOUJCFTTZNO-DYESRHJHSA-N 1 0 411.502 4.050 20 5 HIBDRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc(Cl)c1OC ZINC000564120873 945387525 /nfs/dbraw/zinc/38/75/25/945387525.db2.gz UIRSYAAJEYEIET-UHFFFAOYSA-N 1 0 403.866 4.469 20 5 HIBDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000566706254 946078060 /nfs/dbraw/zinc/07/80/60/946078060.db2.gz WIKZYPGPPORSKY-QHCPKHFHSA-N 1 0 414.502 4.167 20 5 HIBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000569734533 946962738 /nfs/dbraw/zinc/96/27/38/946962738.db2.gz WYVCCNPOYIBOCK-XIKOKIGWSA-N 1 0 409.280 4.258 20 5 HIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000570585307 947303236 /nfs/dbraw/zinc/30/32/36/947303236.db2.gz OXUFZBUWFSSDSI-FQEVSTJZSA-N 1 0 421.501 4.035 20 5 HIBDRO CCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000571336544 947604738 /nfs/dbraw/zinc/60/47/38/947604738.db2.gz JDKMBWPKKRXZMB-KBPBESRZSA-N 1 0 403.504 4.393 20 5 HIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000571735527 947770853 /nfs/dbraw/zinc/77/08/53/947770853.db2.gz MVIDJVWMGMAGIY-UHFFFAOYSA-N 1 0 406.364 4.172 20 5 HIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000571932435 947814905 /nfs/dbraw/zinc/81/49/05/947814905.db2.gz XOMALCIMVYWEMW-GOEBONIOSA-N 1 0 409.408 4.323 20 5 HIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000571943291 947818142 /nfs/dbraw/zinc/81/81/42/947818142.db2.gz SYQITLOYGOOETF-HXUWFJFHSA-N 1 0 404.470 4.069 20 5 HIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000573047855 948070778 /nfs/dbraw/zinc/07/07/78/948070778.db2.gz BIGYKVSNJBAOCR-UHFFFAOYSA-N 1 0 402.619 4.143 20 5 HIBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000573881414 948318792 /nfs/dbraw/zinc/31/87/92/948318792.db2.gz LLWHRHMGTFCUPS-UHFFFAOYSA-N 1 0 414.550 4.066 20 5 HIBDRO CSc1ccc([C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000574430734 948438091 /nfs/dbraw/zinc/43/80/91/948438091.db2.gz HXIOQSYFXOHPTJ-KRWDZBQOSA-N 1 0 407.923 4.311 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574560567 948474839 /nfs/dbraw/zinc/47/48/39/948474839.db2.gz KHBQKWDQSDJUDW-WOJBJXKFSA-N 1 0 408.502 4.197 20 5 HIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000574560564 948475023 /nfs/dbraw/zinc/47/50/23/948475023.db2.gz KHBQKWDQSDJUDW-PMACEKPBSA-N 1 0 408.502 4.197 20 5 HIBDRO