smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H]1CCCCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601323479 346820320 /nfs/dbraw/zinc/82/03/20/346820320.db2.gz AULZIVAGAPCUEG-ZDUSSCGKSA-N 2 2 293.367 2.177 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601323479 346820322 /nfs/dbraw/zinc/82/03/22/346820322.db2.gz AULZIVAGAPCUEG-ZDUSSCGKSA-N 2 2 293.367 2.177 20 5 CEBDLP C[NH+](C)C(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000043411502 343463782 /nfs/dbraw/zinc/46/37/82/343463782.db2.gz IFCSBAICSAMPBZ-UHFFFAOYSA-N 2 2 265.357 2.067 20 5 CEBDLP CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251756089 344637386 /nfs/dbraw/zinc/63/73/86/344637386.db2.gz LQKRAFVYMVKLJM-CHWSQXEVSA-N 2 2 293.367 2.163 20 5 CEBDLP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251756089 344637388 /nfs/dbraw/zinc/63/73/88/344637388.db2.gz LQKRAFVYMVKLJM-CHWSQXEVSA-N 2 2 293.367 2.163 20 5 CEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC[NH3+] ZINC000592473579 345358633 /nfs/dbraw/zinc/35/86/33/345358633.db2.gz BVEYIMBXLWWKCR-UHFFFAOYSA-N 2 2 281.356 2.163 20 5 CEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC[NH3+] ZINC000592473579 345358634 /nfs/dbraw/zinc/35/86/34/345358634.db2.gz BVEYIMBXLWWKCR-UHFFFAOYSA-N 2 2 281.356 2.163 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000600679432 346672510 /nfs/dbraw/zinc/67/25/10/346672510.db2.gz KEYPNWLBJSJDNH-WCQYABFASA-N 2 2 263.341 2.133 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253185 367227444 /nfs/dbraw/zinc/22/74/44/367227444.db2.gz WDYJKWVEWNLFFO-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253185 367227448 /nfs/dbraw/zinc/22/74/48/367227448.db2.gz WDYJKWVEWNLFFO-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352539970 369777570 /nfs/dbraw/zinc/77/75/70/369777570.db2.gz FRROZFPUYWYZBZ-MRXNPFEDSA-N 2 2 289.379 2.479 20 5 CEBDLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352539970 369777571 /nfs/dbraw/zinc/77/75/71/369777571.db2.gz FRROZFPUYWYZBZ-MRXNPFEDSA-N 2 2 289.379 2.479 20 5 CEBDLP C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000251561592 371406251 /nfs/dbraw/zinc/40/62/51/371406251.db2.gz AIEVMVZQFZPFSC-DOMZBBRYSA-N 2 2 277.368 2.197 20 5 CEBDLP C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000251561592 371406255 /nfs/dbraw/zinc/40/62/55/371406255.db2.gz AIEVMVZQFZPFSC-DOMZBBRYSA-N 2 2 277.368 2.197 20 5 CEBDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344622544 217251916 /nfs/dbraw/zinc/25/19/16/217251916.db2.gz ZLDWECKZRMWSHY-OCCSQVGLSA-N 2 2 277.368 2.067 20 5 CEBDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344622544 217251919 /nfs/dbraw/zinc/25/19/19/217251919.db2.gz ZLDWECKZRMWSHY-OCCSQVGLSA-N 2 2 277.368 2.067 20 5 CEBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160350 375820000 /nfs/dbraw/zinc/82/00/00/375820000.db2.gz PTBHJBJFRQVCDF-WCQYABFASA-N 2 2 292.383 2.312 20 5 CEBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160350 375820005 /nfs/dbraw/zinc/82/00/05/375820005.db2.gz PTBHJBJFRQVCDF-WCQYABFASA-N 2 2 292.383 2.312 20 5 CEBDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343772 376741281 /nfs/dbraw/zinc/74/12/81/376741281.db2.gz FQRMSYDAPNILNM-CMPLNLGQSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343772 376741286 /nfs/dbraw/zinc/74/12/86/376741286.db2.gz FQRMSYDAPNILNM-CMPLNLGQSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343772 376741287 /nfs/dbraw/zinc/74/12/87/376741287.db2.gz FQRMSYDAPNILNM-CMPLNLGQSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343772 376741289 /nfs/dbraw/zinc/74/12/89/376741289.db2.gz FQRMSYDAPNILNM-CMPLNLGQSA-N 2 2 283.397 2.428 20 5 CEBDLP CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422938565 376867540 /nfs/dbraw/zinc/86/75/40/376867540.db2.gz HEQLQKIVOMRXSB-KGLIPLIRSA-N 2 2 263.341 2.215 20 5 CEBDLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423177536 377087060 /nfs/dbraw/zinc/08/70/60/377087060.db2.gz AWEXQKNHGJXFMP-OCCSQVGLSA-N 2 2 263.341 2.388 20 5 CEBDLP Cc1c([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423186555 377100233 /nfs/dbraw/zinc/10/02/33/377100233.db2.gz KJHNZTPXWYTQCT-NEPJUHHUSA-N 2 2 263.341 2.306 20 5 CEBDLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423244079 377164155 /nfs/dbraw/zinc/16/41/55/377164155.db2.gz XIRSMSSAKOAIAV-TZMCWYRMSA-N 2 2 263.341 2.388 20 5 CEBDLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423244442 377164700 /nfs/dbraw/zinc/16/47/00/377164700.db2.gz XMMLOUIQBRFZRL-RYUDHWBXSA-N 2 2 263.341 2.306 20 5 CEBDLP CC[NH2+]CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423245896 377166062 /nfs/dbraw/zinc/16/60/62/377166062.db2.gz YXNAMJORWKCCAV-AWEZNQCLSA-N 2 2 263.341 2.171 20 5 CEBDLP CC[NH2+]CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423245898 377166507 /nfs/dbraw/zinc/16/65/07/377166507.db2.gz YXNAMJORWKCCAV-CQSZACIVSA-N 2 2 263.341 2.171 20 5 CEBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414910383 394800186 /nfs/dbraw/zinc/80/01/86/394800186.db2.gz CNYGMAUHVXNFGE-UDGJJRABSA-N 2 2 275.352 2.196 20 5 CEBDLP [NH3+]C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000415063673 394870585 /nfs/dbraw/zinc/87/05/85/394870585.db2.gz IQPYYRMIAJWEKG-NSHDSACASA-N 2 2 269.370 2.263 20 5 CEBDLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423543393 394948742 /nfs/dbraw/zinc/94/87/42/394948742.db2.gz BRZFGPQFBZGUOG-DGCLKSJQSA-N 2 2 263.341 2.388 20 5 CEBDLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423543394 394948883 /nfs/dbraw/zinc/94/88/83/394948883.db2.gz BRZFGPQFBZGUOG-WCQYABFASA-N 2 2 263.341 2.388 20 5 CEBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000430575117 271393008 /nfs/dbraw/zinc/39/30/08/271393008.db2.gz JVGDACDOYGPGPJ-CYBMUJFWSA-N 2 2 269.320 2.197 20 5 CEBDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001117953825 814968591 /nfs/dbraw/zinc/96/85/91/814968591.db2.gz REAOFVMROCDXNS-SECBINFHSA-N 2 2 271.748 2.193 20 5 CEBDLP Cc1c(C[NH2+]C2CC([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000701499812 809437304 /nfs/dbraw/zinc/43/73/04/809437304.db2.gz ORVHYDOGXBMQRP-UHFFFAOYSA-N 2 2 263.341 2.085 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000449131012 282112174 /nfs/dbraw/zinc/11/21/74/282112174.db2.gz JOCYCGBFVMUMIF-JSGCOSHPSA-N 2 2 289.379 2.352 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000449131012 282112178 /nfs/dbraw/zinc/11/21/78/282112178.db2.gz JOCYCGBFVMUMIF-JSGCOSHPSA-N 2 2 289.379 2.352 20 5 CEBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563126 361904877 /nfs/dbraw/zinc/90/48/77/361904877.db2.gz YYNZEKNPURKKHL-VIFPVBQESA-N 2 2 266.326 2.031 20 5 CEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000123695402 187104930 /nfs/dbraw/zinc/10/49/30/187104930.db2.gz AOULJMSNCHINLH-CYBMUJFWSA-N 2 2 265.357 2.400 20 5 CEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000123695402 187104931 /nfs/dbraw/zinc/10/49/31/187104931.db2.gz AOULJMSNCHINLH-CYBMUJFWSA-N 2 2 265.357 2.400 20 5 CEBDLP CC[N@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000158757933 188392444 /nfs/dbraw/zinc/39/24/44/188392444.db2.gz YSBNVRQXNXAWJI-OAHLLOKOSA-N 2 2 291.395 2.457 20 5 CEBDLP CC[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000158757933 188392446 /nfs/dbraw/zinc/39/24/46/188392446.db2.gz YSBNVRQXNXAWJI-OAHLLOKOSA-N 2 2 291.395 2.457 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000113512955 364901539 /nfs/dbraw/zinc/90/15/39/364901539.db2.gz UXUKLGKDKURCOJ-CYBMUJFWSA-N 2 2 277.368 2.287 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000113512955 364901545 /nfs/dbraw/zinc/90/15/45/364901545.db2.gz UXUKLGKDKURCOJ-CYBMUJFWSA-N 2 2 277.368 2.287 20 5 CEBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261629934 371683527 /nfs/dbraw/zinc/68/35/27/371683527.db2.gz HNVJZDILCJDYSK-ONXXMXGDSA-N 2 2 293.342 2.449 20 5 CEBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261629934 371683535 /nfs/dbraw/zinc/68/35/35/371683535.db2.gz HNVJZDILCJDYSK-ONXXMXGDSA-N 2 2 293.342 2.449 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261637614 371686047 /nfs/dbraw/zinc/68/60/47/371686047.db2.gz CCQLLGDSRIRWGR-KGLIPLIRSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261637614 371686055 /nfs/dbraw/zinc/68/60/55/371686055.db2.gz CCQLLGDSRIRWGR-KGLIPLIRSA-N 2 2 275.352 2.087 20 5 CEBDLP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000261652618 371692610 /nfs/dbraw/zinc/69/26/10/371692610.db2.gz DKAGYBLNIIGIJN-PWSUYJOCSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000261652618 371692613 /nfs/dbraw/zinc/69/26/13/371692613.db2.gz DKAGYBLNIIGIJN-PWSUYJOCSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+](C)C ZINC000276448868 374232475 /nfs/dbraw/zinc/23/24/75/374232475.db2.gz MOHKRZVCKRQIDE-GFCCVEGCSA-N 2 2 265.357 2.067 20 5 CEBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238886 375285221 /nfs/dbraw/zinc/28/52/21/375285221.db2.gz DFYNFJXZPLFYLH-ONGXEEELSA-N 2 2 267.304 2.046 20 5 CEBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238886 375285228 /nfs/dbraw/zinc/28/52/28/375285228.db2.gz DFYNFJXZPLFYLH-ONGXEEELSA-N 2 2 267.304 2.046 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000422942893 376870730 /nfs/dbraw/zinc/87/07/30/376870730.db2.gz KWSMXZFTVSEVRA-SUNKGSAMSA-N 2 2 263.341 2.386 20 5 CEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[NH+](C)C ZINC000348287298 218550372 /nfs/dbraw/zinc/55/03/72/218550372.db2.gz HNWZIUXVOLPNFC-CHWSQXEVSA-N 2 2 279.384 2.456 20 5 CEBDLP CC[NH2+]CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414833516 394760396 /nfs/dbraw/zinc/76/03/96/394760396.db2.gz SIDHEQFRZAARNO-UHFFFAOYSA-N 2 2 265.357 2.417 20 5 CEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000420363043 395349987 /nfs/dbraw/zinc/34/99/87/395349987.db2.gz NRDKIVPKYNPDNF-ZDUSSCGKSA-N 2 2 281.331 2.212 20 5 CEBDLP C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000430565462 271391764 /nfs/dbraw/zinc/39/17/64/271391764.db2.gz AHHTYDABITUMBE-SWLSCSKDSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000430565462 271391767 /nfs/dbraw/zinc/39/17/67/271391767.db2.gz AHHTYDABITUMBE-SWLSCSKDSA-N 2 2 293.367 2.033 20 5 CEBDLP COc1ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000430595102 271396230 /nfs/dbraw/zinc/39/62/30/271396230.db2.gz HBQIJHJHRWVJPV-AWEZNQCLSA-N 2 2 281.356 2.066 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000570174904 314029438 /nfs/dbraw/zinc/02/94/38/314029438.db2.gz GRYDHQJPHUYMCQ-FZMZJTMJSA-N 2 2 298.346 2.383 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000575934810 314227082 /nfs/dbraw/zinc/22/70/82/314227082.db2.gz XZVJROYLUPYNMS-UHFFFAOYSA-N 2 2 293.367 2.176 20 5 CEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975026 629407394 /nfs/dbraw/zinc/40/73/94/629407394.db2.gz QQGBQGGSOBPHFD-KOLCDFICSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975026 629407400 /nfs/dbraw/zinc/40/74/00/629407400.db2.gz QQGBQGGSOBPHFD-KOLCDFICSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903455477 635139418 /nfs/dbraw/zinc/13/94/18/635139418.db2.gz WJTMUJDTWWUEKP-OCCSQVGLSA-N 2 2 289.379 2.415 20 5 CEBDLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903455477 635139419 /nfs/dbraw/zinc/13/94/19/635139419.db2.gz WJTMUJDTWWUEKP-OCCSQVGLSA-N 2 2 289.379 2.415 20 5 CEBDLP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866717523 647880135 /nfs/dbraw/zinc/88/01/35/647880135.db2.gz HIGYTGXTARTYJR-CABCVRRESA-N 2 2 289.379 2.477 20 5 CEBDLP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866717523 647880139 /nfs/dbraw/zinc/88/01/39/647880139.db2.gz HIGYTGXTARTYJR-CABCVRRESA-N 2 2 289.379 2.477 20 5 CEBDLP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062034 649258605 /nfs/dbraw/zinc/25/86/05/649258605.db2.gz BPFWPVDDMIQENZ-SNVBAGLBSA-N 2 2 292.314 2.361 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601333336 346823021 /nfs/dbraw/zinc/82/30/21/346823021.db2.gz CKMJPSRNUMQFOJ-DZGCQCFKSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601333336 346823024 /nfs/dbraw/zinc/82/30/24/346823024.db2.gz CKMJPSRNUMQFOJ-DZGCQCFKSA-N 2 2 275.352 2.169 20 5 CEBDLP C[N@@H+]1CC[C@H]2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272392784 344667879 /nfs/dbraw/zinc/66/78/79/344667879.db2.gz YFWRGCZWBCFRPZ-GOEBONIOSA-N 2 2 289.379 2.163 20 5 CEBDLP C[N@H+]1CC[C@H]2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272392784 344667881 /nfs/dbraw/zinc/66/78/81/344667881.db2.gz YFWRGCZWBCFRPZ-GOEBONIOSA-N 2 2 289.379 2.163 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272392784 344667882 /nfs/dbraw/zinc/66/78/82/344667882.db2.gz YFWRGCZWBCFRPZ-GOEBONIOSA-N 2 2 289.379 2.163 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272392784 344667884 /nfs/dbraw/zinc/66/78/84/344667884.db2.gz YFWRGCZWBCFRPZ-GOEBONIOSA-N 2 2 289.379 2.163 20 5 CEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[NH2+]C1CC1 ZINC000591577255 345266300 /nfs/dbraw/zinc/26/63/00/345266300.db2.gz GYXMCRVUODKSOF-LBPRGKRZSA-N 2 2 277.368 2.258 20 5 CEBDLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000591579930 345266772 /nfs/dbraw/zinc/26/67/72/345266772.db2.gz AESSFODKHKDOAB-SRVKXCTJSA-N 2 2 281.331 2.254 20 5 CEBDLP CC1([NH3+])CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000592431616 345352526 /nfs/dbraw/zinc/35/25/26/345352526.db2.gz PUTXCPVEGAEQDG-UHFFFAOYSA-N 2 2 267.304 2.047 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000595039638 345732979 /nfs/dbraw/zinc/73/29/79/345732979.db2.gz UPDZHLAOHRUHAL-NWDGAFQWSA-N 2 2 295.383 2.452 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600678866 346672155 /nfs/dbraw/zinc/67/21/55/346672155.db2.gz NYCWBWHMUAZNDD-OMVNSRBRSA-N 2 2 287.363 2.482 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600679430 346672862 /nfs/dbraw/zinc/67/28/62/346672862.db2.gz KEYPNWLBJSJDNH-DGCLKSJQSA-N 2 2 263.341 2.133 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128479458 187373136 /nfs/dbraw/zinc/37/31/36/187373136.db2.gz YODFHLQQTISNJQ-CQSZACIVSA-N 2 2 295.383 2.409 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128479458 187373137 /nfs/dbraw/zinc/37/31/37/187373137.db2.gz YODFHLQQTISNJQ-CQSZACIVSA-N 2 2 295.383 2.409 20 5 CEBDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000090720433 180030026 /nfs/dbraw/zinc/03/00/26/180030026.db2.gz IFNKUFBWOBHDHD-WCQYABFASA-N 2 2 293.367 2.176 20 5 CEBDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000090720433 180030027 /nfs/dbraw/zinc/03/00/27/180030027.db2.gz IFNKUFBWOBHDHD-WCQYABFASA-N 2 2 293.367 2.176 20 5 CEBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843750 365185169 /nfs/dbraw/zinc/18/51/69/365185169.db2.gz RQZONTHESJETHH-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843750 365185170 /nfs/dbraw/zinc/18/51/70/365185170.db2.gz RQZONTHESJETHH-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP C[NH+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843750 365185174 /nfs/dbraw/zinc/18/51/74/365185174.db2.gz RQZONTHESJETHH-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP C[NH+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843750 365185177 /nfs/dbraw/zinc/18/51/77/365185177.db2.gz RQZONTHESJETHH-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000173352170 367900616 /nfs/dbraw/zinc/90/06/16/367900616.db2.gz LUGGHAUYIKCKJY-BXUZGUMPSA-N 2 2 263.341 2.340 20 5 CEBDLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414807320 375993958 /nfs/dbraw/zinc/99/39/58/375993958.db2.gz CPBQEQMJPDHOTP-LLVKDONJSA-N 2 2 269.320 2.341 20 5 CEBDLP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414807839 375994031 /nfs/dbraw/zinc/99/40/31/375994031.db2.gz DHNVRMSFCIXJRV-GFCCVEGCSA-N 2 2 251.330 2.202 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423269700 377189838 /nfs/dbraw/zinc/18/98/38/377189838.db2.gz FTNILFLBFWISRW-GWCFXTLKSA-N 2 2 263.341 2.291 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423232837 377151452 /nfs/dbraw/zinc/15/14/52/377151452.db2.gz ITHZGDDTBBZLLV-DGCLKSJQSA-N 2 2 263.341 2.306 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347030746 218098970 /nfs/dbraw/zinc/09/89/70/218098970.db2.gz XVAABFPCLPLQLM-CQSZACIVSA-N 2 2 277.368 2.335 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347030746 218098971 /nfs/dbraw/zinc/09/89/71/218098971.db2.gz XVAABFPCLPLQLM-CQSZACIVSA-N 2 2 277.368 2.335 20 5 CEBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562324 379393531 /nfs/dbraw/zinc/39/35/31/379393531.db2.gz GEJKZWTXOANWHT-SMDDNHRTSA-N 2 2 275.352 2.266 20 5 CEBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562324 379393541 /nfs/dbraw/zinc/39/35/41/379393541.db2.gz GEJKZWTXOANWHT-SMDDNHRTSA-N 2 2 275.352 2.266 20 5 CEBDLP CC[NH2+][C@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414938787 394812775 /nfs/dbraw/zinc/81/27/75/394812775.db2.gz DMTANYMOWDXLNV-XYLWRLHESA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423355008 394899251 /nfs/dbraw/zinc/89/92/51/394899251.db2.gz DQSZMTGGDZHEJM-SUNKGSAMSA-N 2 2 263.341 2.243 20 5 CEBDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423394457 394913496 /nfs/dbraw/zinc/91/34/96/394913496.db2.gz ZSEZQUPHFUSWGM-MNOVXSKESA-N 2 2 251.330 2.243 20 5 CEBDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618292 395023321 /nfs/dbraw/zinc/02/33/21/395023321.db2.gz XWCJNPZOJKGKBK-SMDDNHRTSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618292 395023325 /nfs/dbraw/zinc/02/33/25/395023325.db2.gz XWCJNPZOJKGKBK-SMDDNHRTSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420327698 395329568 /nfs/dbraw/zinc/32/95/68/395329568.db2.gz DOUUTLKYGURQOQ-OLZOCXBDSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420327698 395329575 /nfs/dbraw/zinc/32/95/75/395329575.db2.gz DOUUTLKYGURQOQ-OLZOCXBDSA-N 2 2 293.367 2.033 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040591669 174346926 /nfs/dbraw/zinc/34/69/26/174346926.db2.gz HNAUWSCRGHVBMD-CYBMUJFWSA-N 2 2 263.341 2.026 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040591669 174346927 /nfs/dbraw/zinc/34/69/27/174346927.db2.gz HNAUWSCRGHVBMD-CYBMUJFWSA-N 2 2 263.341 2.026 20 5 CEBDLP C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000430542575 271387374 /nfs/dbraw/zinc/38/73/74/271387374.db2.gz KXPATGYQJNIKND-GXTWGEPZSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000430542575 271387376 /nfs/dbraw/zinc/38/73/76/271387376.db2.gz KXPATGYQJNIKND-GXTWGEPZSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430607965 271399205 /nfs/dbraw/zinc/39/92/05/271399205.db2.gz BWMGHOLHTWIWTP-STQMWFEESA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430607965 271399209 /nfs/dbraw/zinc/39/92/09/271399209.db2.gz BWMGHOLHTWIWTP-STQMWFEESA-N 2 2 293.367 2.175 20 5 CEBDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272557393 277145871 /nfs/dbraw/zinc/14/58/71/277145871.db2.gz DPQNBAGYJOIHLB-HIFRSBDPSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272557393 277145872 /nfs/dbraw/zinc/14/58/72/277145872.db2.gz DPQNBAGYJOIHLB-HIFRSBDPSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272557393 277145873 /nfs/dbraw/zinc/14/58/73/277145873.db2.gz DPQNBAGYJOIHLB-HIFRSBDPSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272557393 277145874 /nfs/dbraw/zinc/14/58/74/277145874.db2.gz DPQNBAGYJOIHLB-HIFRSBDPSA-N 2 2 275.352 2.121 20 5 CEBDLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000400401833 279496539 /nfs/dbraw/zinc/49/65/39/279496539.db2.gz KWSMXZFTVSEVRA-MJVIPROJSA-N 2 2 263.341 2.386 20 5 CEBDLP COC[C@]1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423438449 281042282 /nfs/dbraw/zinc/04/22/82/281042282.db2.gz UVQIMNQNGMDBLE-IUODEOHRSA-N 2 2 293.367 2.014 20 5 CEBDLP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530421 281063635 /nfs/dbraw/zinc/06/36/35/281063635.db2.gz WRLQNCDUZGHOJK-LSDHHAIUSA-N 2 2 293.367 2.014 20 5 CEBDLP C[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000903988433 635406967 /nfs/dbraw/zinc/40/69/67/635406967.db2.gz RGQWJRXJHNTTEC-SCZZXKLOSA-N 2 2 273.283 2.228 20 5 CEBDLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877154716 650599859 /nfs/dbraw/zinc/59/98/59/650599859.db2.gz XMEGQNWCZJBNFX-CYBMUJFWSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@@H]1CCC[N@H+]1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877154716 650599861 /nfs/dbraw/zinc/59/98/61/650599861.db2.gz XMEGQNWCZJBNFX-CYBMUJFWSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000873216925 649594140 /nfs/dbraw/zinc/59/41/40/649594140.db2.gz UTLRKFUQBRFCDG-MWLCHTKSSA-N 2 2 283.759 2.275 20 5 CEBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000873216925 649594141 /nfs/dbraw/zinc/59/41/41/649594141.db2.gz UTLRKFUQBRFCDG-MWLCHTKSSA-N 2 2 283.759 2.275 20 5 CEBDLP Cc1[nH+]cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1CC[NH3+] ZINC001173213213 815636842 /nfs/dbraw/zinc/63/68/42/815636842.db2.gz GRKKVOBLVLVKKV-LLVKDONJSA-N 2 2 288.351 2.405 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449131011 282112258 /nfs/dbraw/zinc/11/22/58/282112258.db2.gz JOCYCGBFVMUMIF-GXTWGEPZSA-N 2 2 289.379 2.352 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000449131011 282112261 /nfs/dbraw/zinc/11/22/61/282112261.db2.gz JOCYCGBFVMUMIF-GXTWGEPZSA-N 2 2 289.379 2.352 20 5 CEBDLP C[NH+](C)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000097930630 344246463 /nfs/dbraw/zinc/24/64/63/344246463.db2.gz RTOAUCPJMQNZPC-UHFFFAOYSA-N 2 2 277.368 2.211 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[NH2+]C1CC1)C1CC1 ZINC000591577322 345266111 /nfs/dbraw/zinc/26/61/11/345266111.db2.gz PVAUOPZKJAPVQO-HNNXBMFYSA-N 2 2 289.379 2.258 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000592493891 345360065 /nfs/dbraw/zinc/36/00/65/345360065.db2.gz HNRAQRKPABBUTG-LBPRGKRZSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000592493891 345360068 /nfs/dbraw/zinc/36/00/68/345360068.db2.gz HNRAQRKPABBUTG-LBPRGKRZSA-N 2 2 275.352 2.169 20 5 CEBDLP C[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600677186 346671976 /nfs/dbraw/zinc/67/19/76/346671976.db2.gz AZRAJBZLNBJZNA-UDGJJRABSA-N 2 2 275.352 2.338 20 5 CEBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000600677301 346672161 /nfs/dbraw/zinc/67/21/61/346672161.db2.gz DJGLZUOQZVSWAC-QWHCGFSZSA-N 2 2 263.341 2.133 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600677822 346672220 /nfs/dbraw/zinc/67/22/20/346672220.db2.gz BMOHPXZDTOHVKS-AWEZNQCLSA-N 2 2 275.352 2.277 20 5 CEBDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292103404 198164622 /nfs/dbraw/zinc/16/46/22/198164622.db2.gz IEJZXPNMIDEFSC-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292103404 198164624 /nfs/dbraw/zinc/16/46/24/198164624.db2.gz IEJZXPNMIDEFSC-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292103404 198164625 /nfs/dbraw/zinc/16/46/25/198164625.db2.gz IEJZXPNMIDEFSC-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292103404 198164627 /nfs/dbraw/zinc/16/46/27/198164627.db2.gz IEJZXPNMIDEFSC-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000292261012 198221530 /nfs/dbraw/zinc/22/15/30/198221530.db2.gz YOWQAXOHFOSYJU-OAHLLOKOSA-N 2 2 293.342 2.262 20 5 CEBDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000292261012 198221531 /nfs/dbraw/zinc/22/15/31/198221531.db2.gz YOWQAXOHFOSYJU-OAHLLOKOSA-N 2 2 293.342 2.262 20 5 CEBDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000292261012 198221533 /nfs/dbraw/zinc/22/15/33/198221533.db2.gz YOWQAXOHFOSYJU-OAHLLOKOSA-N 2 2 293.342 2.262 20 5 CEBDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000292261012 198221534 /nfs/dbraw/zinc/22/15/34/198221534.db2.gz YOWQAXOHFOSYJU-OAHLLOKOSA-N 2 2 293.342 2.262 20 5 CEBDLP C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]C1 ZINC000414914181 236554515 /nfs/dbraw/zinc/55/45/15/236554515.db2.gz XKXPMESUZSFAAH-CQSZACIVSA-N 2 2 281.331 2.213 20 5 CEBDLP [NH3+]C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000346670404 368761912 /nfs/dbraw/zinc/76/19/12/368761912.db2.gz USFSIKYJDXEBJP-HYXAFXHYSA-N 2 2 261.325 2.031 20 5 CEBDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246516889 370972509 /nfs/dbraw/zinc/97/25/09/370972509.db2.gz UJSUACSTYSRIIE-JSGCOSHPSA-N 2 2 277.368 2.415 20 5 CEBDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246516889 370972517 /nfs/dbraw/zinc/97/25/17/370972517.db2.gz UJSUACSTYSRIIE-JSGCOSHPSA-N 2 2 277.368 2.415 20 5 CEBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000415063912 376019771 /nfs/dbraw/zinc/01/97/71/376019771.db2.gz JBAVOXMXXAWOGZ-CQSZACIVSA-N 2 2 281.331 2.341 20 5 CEBDLP CC(C)c1ccc(C[NH2+][C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414960204 394825978 /nfs/dbraw/zinc/82/59/78/394825978.db2.gz UNOLWCILRWYUCQ-JTQLQIEISA-N 2 2 251.330 2.155 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423445253 394923202 /nfs/dbraw/zinc/92/32/02/394923202.db2.gz MNAGLRZVUSRCFW-DCAQKATOSA-N 2 2 251.330 2.290 20 5 CEBDLP C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435608152 395377163 /nfs/dbraw/zinc/37/71/63/395377163.db2.gz QYZYDJCHNOXXGF-NSHDSACASA-N 2 2 281.331 2.308 20 5 CEBDLP C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435608152 395377167 /nfs/dbraw/zinc/37/71/67/395377167.db2.gz QYZYDJCHNOXXGF-NSHDSACASA-N 2 2 281.331 2.308 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)CCc1ccccc1[N+](=O)[O-] ZINC000285334101 196253147 /nfs/dbraw/zinc/25/31/47/196253147.db2.gz ODJZQMSYDPQJCM-UHFFFAOYSA-N 2 2 288.351 2.356 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ccccc1[N+](=O)[O-] ZINC000285334101 196253149 /nfs/dbraw/zinc/25/31/49/196253149.db2.gz ODJZQMSYDPQJCM-UHFFFAOYSA-N 2 2 288.351 2.356 20 5 CEBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[NH2+]C ZINC000423222817 270874561 /nfs/dbraw/zinc/87/45/61/270874561.db2.gz CUOQAMKPOORBLJ-NSHDSACASA-N 2 2 283.397 2.275 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352525362 280363324 /nfs/dbraw/zinc/36/33/24/280363324.db2.gz FWFBMPFSCBONLP-HNNXBMFYSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352525362 280363327 /nfs/dbraw/zinc/36/33/27/280363327.db2.gz FWFBMPFSCBONLP-HNNXBMFYSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352525363 280363376 /nfs/dbraw/zinc/36/33/76/280363376.db2.gz FWFBMPFSCBONLP-OAHLLOKOSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352525363 280363378 /nfs/dbraw/zinc/36/33/78/280363378.db2.gz FWFBMPFSCBONLP-OAHLLOKOSA-N 2 2 275.352 2.170 20 5 CEBDLP C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000414862379 533942178 /nfs/dbraw/zinc/94/21/78/533942178.db2.gz XNIQOVZDUVGQSE-ONGXEEELSA-N 2 2 269.370 2.134 20 5 CEBDLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905123510 635827390 /nfs/dbraw/zinc/82/73/90/635827390.db2.gz YZOVQFBVDJAXQL-ZDUSSCGKSA-N 2 2 277.368 2.078 20 5 CEBDLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800175 635277468 /nfs/dbraw/zinc/27/74/68/635277468.db2.gz USRUNZWBCZVPON-GOEBONIOSA-N 2 2 289.379 2.341 20 5 CEBDLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800175 635277471 /nfs/dbraw/zinc/27/74/71/635277471.db2.gz USRUNZWBCZVPON-GOEBONIOSA-N 2 2 289.379 2.341 20 5 CEBDLP Cc1c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000873127226 649564637 /nfs/dbraw/zinc/56/46/37/649564637.db2.gz JUYHCHXHXPDPRY-LBPRGKRZSA-N 2 2 286.335 2.273 20 5 CEBDLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213684 815636524 /nfs/dbraw/zinc/63/65/24/815636524.db2.gz JUKWPAAKHAXXPD-NWDGAFQWSA-N 2 2 265.357 2.066 20 5 CEBDLP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601327428 346822258 /nfs/dbraw/zinc/82/22/58/346822258.db2.gz VYFUWTOZLZASBM-MWLCHTKSSA-N 2 2 283.759 2.275 20 5 CEBDLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601327428 346822261 /nfs/dbraw/zinc/82/22/61/346822261.db2.gz VYFUWTOZLZASBM-MWLCHTKSSA-N 2 2 283.759 2.275 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000449222137 282147137 /nfs/dbraw/zinc/14/71/37/282147137.db2.gz VOGIPLZYPMZGLM-CYBMUJFWSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049235278 343536234 /nfs/dbraw/zinc/53/62/34/343536234.db2.gz WGDRIEGCXCTUIJ-GFCCVEGCSA-N 2 2 274.324 2.012 20 5 CEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH+](C)C ZINC000449555095 282281550 /nfs/dbraw/zinc/28/15/50/282281550.db2.gz FPDJCLMBXQVENW-OLZOCXBDSA-N 2 2 279.384 2.456 20 5 CEBDLP CC(C)([NH2+]CC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000602017226 346960898 /nfs/dbraw/zinc/96/08/98/346960898.db2.gz MWZXVSZDPJYEDK-UHFFFAOYSA-N 2 2 275.352 2.172 20 5 CEBDLP CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000313445282 344742379 /nfs/dbraw/zinc/74/23/79/344742379.db2.gz BDUINTVHMWQDMM-IINYFYTJSA-N 2 2 281.331 2.293 20 5 CEBDLP CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000313445282 344742383 /nfs/dbraw/zinc/74/23/83/344742383.db2.gz BDUINTVHMWQDMM-IINYFYTJSA-N 2 2 281.331 2.293 20 5 CEBDLP Cc1[nH+]cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1C ZINC000594940909 345710725 /nfs/dbraw/zinc/71/07/25/345710725.db2.gz VKOMFYYYOIJUOW-UHFFFAOYSA-N 2 2 274.324 2.235 20 5 CEBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595317127 345760575 /nfs/dbraw/zinc/76/05/75/345760575.db2.gz DGMIEZFUTFFHDV-NSHDSACASA-N 2 2 281.331 2.117 20 5 CEBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595317127 345760577 /nfs/dbraw/zinc/76/05/77/345760577.db2.gz DGMIEZFUTFFHDV-NSHDSACASA-N 2 2 281.331 2.117 20 5 CEBDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595317126 345760867 /nfs/dbraw/zinc/76/08/67/345760867.db2.gz DGMIEZFUTFFHDV-LLVKDONJSA-N 2 2 281.331 2.117 20 5 CEBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595317126 345760868 /nfs/dbraw/zinc/76/08/68/345760868.db2.gz DGMIEZFUTFFHDV-LLVKDONJSA-N 2 2 281.331 2.117 20 5 CEBDLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596655295 346072941 /nfs/dbraw/zinc/07/29/41/346072941.db2.gz UJXNIFKSBXUSEI-XGTXGMFGSA-N 2 2 275.352 2.388 20 5 CEBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000598717683 346407094 /nfs/dbraw/zinc/40/70/94/346407094.db2.gz HOIRUVIWAIUHEM-DURLZJIISA-N 2 2 287.363 2.421 20 5 CEBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000598717683 346407097 /nfs/dbraw/zinc/40/70/97/346407097.db2.gz HOIRUVIWAIUHEM-DURLZJIISA-N 2 2 287.363 2.421 20 5 CEBDLP Cc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000600776088 346688600 /nfs/dbraw/zinc/68/86/00/346688600.db2.gz WEAZDXUXYGXLGB-IYBDPMFKSA-N 2 2 289.379 2.335 20 5 CEBDLP Cc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000600776088 346688602 /nfs/dbraw/zinc/68/86/02/346688602.db2.gz WEAZDXUXYGXLGB-IYBDPMFKSA-N 2 2 289.379 2.335 20 5 CEBDLP Cc1c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292131607 198175605 /nfs/dbraw/zinc/17/56/05/198175605.db2.gz LFQXSRLETYHURS-INIZCTEOSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292131607 198175607 /nfs/dbraw/zinc/17/56/07/198175607.db2.gz LFQXSRLETYHURS-INIZCTEOSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292131607 198175608 /nfs/dbraw/zinc/17/56/08/198175608.db2.gz LFQXSRLETYHURS-INIZCTEOSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292131607 198175610 /nfs/dbraw/zinc/17/56/10/198175610.db2.gz LFQXSRLETYHURS-INIZCTEOSA-N 2 2 289.379 2.431 20 5 CEBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507233 291122046 /nfs/dbraw/zinc/12/20/46/291122046.db2.gz LZGLTKXTMXIMDH-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507233 291122049 /nfs/dbraw/zinc/12/20/49/291122049.db2.gz LZGLTKXTMXIMDH-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215606 367223478 /nfs/dbraw/zinc/22/34/78/367223478.db2.gz UNMPYLKTFWLCNF-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215606 367223483 /nfs/dbraw/zinc/22/34/83/367223483.db2.gz UNMPYLKTFWLCNF-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000218990149 370215508 /nfs/dbraw/zinc/21/55/08/370215508.db2.gz SGRNQNKKFAUGBQ-GFCCVEGCSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000218990149 370215512 /nfs/dbraw/zinc/21/55/12/370215512.db2.gz SGRNQNKKFAUGBQ-GFCCVEGCSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253200965 371501906 /nfs/dbraw/zinc/50/19/06/371501906.db2.gz XJXHMUSTONPBOU-GXSJLCMTSA-N 2 2 269.370 2.073 20 5 CEBDLP C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253200965 371501911 /nfs/dbraw/zinc/50/19/11/371501911.db2.gz XJXHMUSTONPBOU-GXSJLCMTSA-N 2 2 269.370 2.073 20 5 CEBDLP CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422950081 376873230 /nfs/dbraw/zinc/87/32/30/376873230.db2.gz VDWZBOPLCSYZGB-STQMWFEESA-N 2 2 263.341 2.215 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000423142934 377041136 /nfs/dbraw/zinc/04/11/36/377041136.db2.gz BTLMLTQSBUFBID-WDMOLILDSA-N 2 2 263.341 2.386 20 5 CEBDLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423244077 377164919 /nfs/dbraw/zinc/16/49/19/377164919.db2.gz XIRSMSSAKOAIAV-JSGCOSHPSA-N 2 2 263.341 2.388 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347030745 218098943 /nfs/dbraw/zinc/09/89/43/218098943.db2.gz XVAABFPCLPLQLM-AWEZNQCLSA-N 2 2 277.368 2.335 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347030745 218098944 /nfs/dbraw/zinc/09/89/44/218098944.db2.gz XVAABFPCLPLQLM-AWEZNQCLSA-N 2 2 277.368 2.335 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000122272837 394811277 /nfs/dbraw/zinc/81/12/77/394811277.db2.gz ZAXXZKSBQOOHOJ-WCQYABFASA-N 2 2 275.352 2.310 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000122272837 394811278 /nfs/dbraw/zinc/81/12/78/394811278.db2.gz ZAXXZKSBQOOHOJ-WCQYABFASA-N 2 2 275.352 2.310 20 5 CEBDLP CC1(C)[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415030089 394854891 /nfs/dbraw/zinc/85/48/91/394854891.db2.gz BUNRFGHTWVVZSU-BRLPQQTGSA-N 2 2 275.352 2.338 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245659 263207729 /nfs/dbraw/zinc/20/77/29/263207729.db2.gz HPOIAWUUIMIMIF-UHIISALHSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245659 263207730 /nfs/dbraw/zinc/20/77/30/263207730.db2.gz HPOIAWUUIMIMIF-UHIISALHSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000430565460 271391668 /nfs/dbraw/zinc/39/16/68/271391668.db2.gz AHHTYDABITUMBE-DOMZBBRYSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000430565460 271391673 /nfs/dbraw/zinc/39/16/73/271391673.db2.gz AHHTYDABITUMBE-DOMZBBRYSA-N 2 2 293.367 2.033 20 5 CEBDLP COc1ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000430595104 271396093 /nfs/dbraw/zinc/39/60/93/271396093.db2.gz HBQIJHJHRWVJPV-CQSZACIVSA-N 2 2 281.356 2.066 20 5 CEBDLP C[NH2+]CCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000124741912 277267406 /nfs/dbraw/zinc/26/74/06/277267406.db2.gz UFNMKDKFYAPILQ-LLVKDONJSA-N 2 2 251.330 2.197 20 5 CEBDLP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000124741912 277267407 /nfs/dbraw/zinc/26/74/07/277267407.db2.gz UFNMKDKFYAPILQ-LLVKDONJSA-N 2 2 251.330 2.197 20 5 CEBDLP CC(C)c1ccc(C[NH2+][C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414934373 278037418 /nfs/dbraw/zinc/03/74/18/278037418.db2.gz UNOLWCILRWYUCQ-SNVBAGLBSA-N 2 2 251.330 2.155 20 5 CEBDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423513498 281058817 /nfs/dbraw/zinc/05/88/17/281058817.db2.gz LUDWQNVBJAKXSD-GJZGRUSLSA-N 2 2 293.367 2.014 20 5 CEBDLP CC1(C)C[C@H]([NH2+]CC2([NH3+])CC2)c2cc([N+](=O)[O-])ccc21 ZINC000902407796 634621633 /nfs/dbraw/zinc/62/16/33/634621633.db2.gz VALFUGVXFSYFOY-ZDUSSCGKSA-N 2 2 275.352 2.398 20 5 CEBDLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000926961390 632388869 /nfs/dbraw/zinc/38/88/69/632388869.db2.gz IWKIELDFSNXLKN-WFASDCNBSA-N 2 2 295.383 2.212 20 5 CEBDLP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000903057077 634949331 /nfs/dbraw/zinc/94/93/31/634949331.db2.gz BCAAFESQDCVPJV-NSHDSACASA-N 2 2 290.323 2.151 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@]1(C)CCC[NH2+]C1 ZINC000904308513 635558848 /nfs/dbraw/zinc/55/88/48/635558848.db2.gz QZUWRILWEBFLKK-HNNXBMFYSA-N 2 2 277.368 2.416 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@]1(C)CCC[NH2+]C1 ZINC000904308513 635558853 /nfs/dbraw/zinc/55/88/53/635558853.db2.gz QZUWRILWEBFLKK-HNNXBMFYSA-N 2 2 277.368 2.416 20 5 CEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCn1cc[nH+]c1 ZINC000873009183 649530438 /nfs/dbraw/zinc/53/04/38/649530438.db2.gz YGUDCGHCFWSRLL-UHFFFAOYSA-N 2 2 274.324 2.198 20 5 CEBDLP Cc1c(F)cc([N+](=O)[O-])cc1NC(=[NH2+])SCC[NH3+] ZINC001167916899 804754837 /nfs/dbraw/zinc/75/48/37/804754837.db2.gz ZUTFCTYHSNVDDD-UHFFFAOYSA-N 2 2 272.305 2.081 20 5 CEBDLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897646 815539966 /nfs/dbraw/zinc/53/99/66/815539966.db2.gz BWCYRJHQEPAAMR-WFASDCNBSA-N 2 2 291.395 2.382 20 5 CEBDLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444828 362421766 /nfs/dbraw/zinc/42/17/66/362421766.db2.gz YIAJXXFBTJGSQV-SNVBAGLBSA-N 2 2 283.759 2.419 20 5 CEBDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444828 362421769 /nfs/dbraw/zinc/42/17/69/362421769.db2.gz YIAJXXFBTJGSQV-SNVBAGLBSA-N 2 2 283.759 2.419 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275567 345236882 /nfs/dbraw/zinc/23/68/82/345236882.db2.gz DQPBFPDRIFGQEK-CYBMUJFWSA-N 2 2 263.341 2.135 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000595010877 345726297 /nfs/dbraw/zinc/72/62/97/345726297.db2.gz ZNPDQBYWIQBYLE-WCQYABFASA-N 2 2 293.367 2.348 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000595010877 345726300 /nfs/dbraw/zinc/72/63/00/345726300.db2.gz ZNPDQBYWIQBYLE-WCQYABFASA-N 2 2 293.367 2.348 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399631 345774824 /nfs/dbraw/zinc/77/48/24/345774824.db2.gz DSBSJIRBWASJQM-UHFFFAOYSA-N 2 2 292.314 2.453 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399631 345774826 /nfs/dbraw/zinc/77/48/26/345774826.db2.gz DSBSJIRBWASJQM-UHFFFAOYSA-N 2 2 292.314 2.453 20 5 CEBDLP C[C@@H](CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000596429601 346021571 /nfs/dbraw/zinc/02/15/71/346021571.db2.gz IGNLXEUBJCTLSN-NSHDSACASA-N 2 2 288.351 2.317 20 5 CEBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000600678202 346671947 /nfs/dbraw/zinc/67/19/47/346671947.db2.gz NXWPLSPVJPSGAW-BPIHMUFXSA-N 2 2 275.352 2.338 20 5 CEBDLP Cc1c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000400339388 233176813 /nfs/dbraw/zinc/17/68/13/233176813.db2.gz GITLJDFOKVPLOZ-DGCLKSJQSA-N 2 2 263.341 2.133 20 5 CEBDLP CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251756096 540113042 /nfs/dbraw/zinc/11/30/42/540113042.db2.gz LQKRAFVYMVKLJM-QWHCGFSZSA-N 2 2 293.367 2.163 20 5 CEBDLP CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251756096 540113044 /nfs/dbraw/zinc/11/30/44/540113044.db2.gz LQKRAFVYMVKLJM-QWHCGFSZSA-N 2 2 293.367 2.163 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000342139368 216234299 /nfs/dbraw/zinc/23/42/99/216234299.db2.gz QENBWFMRBVQIDJ-UHFFFAOYSA-N 2 2 269.732 2.219 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352525408 369772284 /nfs/dbraw/zinc/77/22/84/369772284.db2.gz GIMGGHLMJGQTKV-HNNXBMFYSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352525408 369772292 /nfs/dbraw/zinc/77/22/92/369772292.db2.gz GIMGGHLMJGQTKV-HNNXBMFYSA-N 2 2 275.352 2.170 20 5 CEBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261708265 371708850 /nfs/dbraw/zinc/70/88/50/371708850.db2.gz JCSMBTAKRXINAS-LBPRGKRZSA-N 2 2 281.331 2.437 20 5 CEBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261708265 371708858 /nfs/dbraw/zinc/70/88/58/371708858.db2.gz JCSMBTAKRXINAS-LBPRGKRZSA-N 2 2 281.331 2.437 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261726041 371712342 /nfs/dbraw/zinc/71/23/42/371712342.db2.gz KSOBUJSIVDNABA-DYEKYZERSA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261726041 371712347 /nfs/dbraw/zinc/71/23/47/371712347.db2.gz KSOBUJSIVDNABA-DYEKYZERSA-N 2 2 275.352 2.340 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000314145449 376764992 /nfs/dbraw/zinc/76/49/92/376764992.db2.gz KEALKHBPXXBKIX-QWHCGFSZSA-N 2 2 293.342 2.450 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000314145449 376764997 /nfs/dbraw/zinc/76/49/97/376764997.db2.gz KEALKHBPXXBKIX-QWHCGFSZSA-N 2 2 293.342 2.450 20 5 CEBDLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422940784 376869407 /nfs/dbraw/zinc/86/94/07/376869407.db2.gz JAKMRHZDZRBLEN-OLZOCXBDSA-N 2 2 263.341 2.344 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000414842414 394765724 /nfs/dbraw/zinc/76/57/24/394765724.db2.gz MQKBSVJOVBZDTE-UHFFFAOYSA-N 2 2 269.370 2.408 20 5 CEBDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414851538 394770620 /nfs/dbraw/zinc/77/06/20/394770620.db2.gz PFDDFQIYANKDJY-LLVKDONJSA-N 2 2 269.320 2.197 20 5 CEBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)o2)cc1 ZINC000415040138 394859852 /nfs/dbraw/zinc/85/98/52/394859852.db2.gz PVLGCLDXPSSXLO-FOLVSLTJSA-N 2 2 299.330 2.162 20 5 CEBDLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423307526 270893129 /nfs/dbraw/zinc/89/31/29/270893129.db2.gz GXRNGZQWHOIVDK-LLVKDONJSA-N 2 2 251.330 2.245 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573169 271392710 /nfs/dbraw/zinc/39/27/10/271392710.db2.gz QADHWBARZKCGQX-QWRGUYRKSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573169 271392713 /nfs/dbraw/zinc/39/27/13/271392713.db2.gz QADHWBARZKCGQX-QWRGUYRKSA-N 2 2 281.331 2.293 20 5 CEBDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272628127 277177605 /nfs/dbraw/zinc/17/76/05/277177605.db2.gz MRUUXRLFSBWQPV-SWLSCSKDSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272628127 277177607 /nfs/dbraw/zinc/17/76/07/277177607.db2.gz MRUUXRLFSBWQPV-SWLSCSKDSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272628127 277177609 /nfs/dbraw/zinc/17/76/09/277177609.db2.gz MRUUXRLFSBWQPV-SWLSCSKDSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272628127 277177610 /nfs/dbraw/zinc/17/76/10/277177610.db2.gz MRUUXRLFSBWQPV-SWLSCSKDSA-N 2 2 275.352 2.121 20 5 CEBDLP CC(C)([NH3+])C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000346832347 277306378 /nfs/dbraw/zinc/30/63/78/277306378.db2.gz ZJWZJVQHRQEJTP-UHFFFAOYSA-N 2 2 263.341 2.297 20 5 CEBDLP CC(C)([NH3+])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000346832347 277306380 /nfs/dbraw/zinc/30/63/80/277306380.db2.gz ZJWZJVQHRQEJTP-UHFFFAOYSA-N 2 2 263.341 2.297 20 5 CEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000261568321 628940346 /nfs/dbraw/zinc/94/03/46/628940346.db2.gz JZCXYXDVANZGIW-CYBMUJFWSA-N 2 2 263.341 2.073 20 5 CEBDLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841064078 639639824 /nfs/dbraw/zinc/63/98/24/639639824.db2.gz PABNSEHPPHFDPX-RNCFNFMXSA-N 2 2 283.759 2.336 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230167 649601081 /nfs/dbraw/zinc/60/10/81/649601081.db2.gz NBCIVWMFEXMMAM-ZOESHWHXSA-N 2 2 287.363 2.482 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000449075951 282090424 /nfs/dbraw/zinc/09/04/24/282090424.db2.gz OGMPXTRVDAROAK-OLZOCXBDSA-N 2 2 288.351 2.401 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000449088418 282095634 /nfs/dbraw/zinc/09/56/34/282095634.db2.gz IENCGVRCLISDOV-LRDDRELGSA-N 2 2 291.395 2.456 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000041119370 362020313 /nfs/dbraw/zinc/02/03/13/362020313.db2.gz GMWYRGQIGRAYPN-GFCCVEGCSA-N 2 2 274.324 2.451 20 5 CEBDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000041119436 362020458 /nfs/dbraw/zinc/02/04/58/362020458.db2.gz UWVIUMPRQAGJPY-LLVKDONJSA-N 2 2 260.297 2.142 20 5 CEBDLP C[N@@H+]1CC[C@H]2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272392786 344667914 /nfs/dbraw/zinc/66/79/14/344667914.db2.gz YFWRGCZWBCFRPZ-HOCLYGCPSA-N 2 2 289.379 2.163 20 5 CEBDLP C[N@H+]1CC[C@H]2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272392786 344667915 /nfs/dbraw/zinc/66/79/15/344667915.db2.gz YFWRGCZWBCFRPZ-HOCLYGCPSA-N 2 2 289.379 2.163 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272392786 344667917 /nfs/dbraw/zinc/66/79/17/344667917.db2.gz YFWRGCZWBCFRPZ-HOCLYGCPSA-N 2 2 289.379 2.163 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272392786 344667919 /nfs/dbraw/zinc/66/79/19/344667919.db2.gz YFWRGCZWBCFRPZ-HOCLYGCPSA-N 2 2 289.379 2.163 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000596654540 346072663 /nfs/dbraw/zinc/07/26/63/346072663.db2.gz PYZFJRFKPFXAIE-WDEREUQCSA-N 2 2 281.356 2.252 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196047 362758024 /nfs/dbraw/zinc/75/80/24/362758024.db2.gz RNBKJXCZQJFALA-DOMZBBRYSA-N 2 2 277.368 2.339 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196047 362758029 /nfs/dbraw/zinc/75/80/29/362758029.db2.gz RNBKJXCZQJFALA-DOMZBBRYSA-N 2 2 277.368 2.339 20 5 CEBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000602751648 347185238 /nfs/dbraw/zinc/18/52/38/347185238.db2.gz KJZVZTXEBXYYKP-HNNXBMFYSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000602751648 347185241 /nfs/dbraw/zinc/18/52/41/347185241.db2.gz KJZVZTXEBXYYKP-HNNXBMFYSA-N 2 2 275.352 2.121 20 5 CEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000123681485 187104116 /nfs/dbraw/zinc/10/41/16/187104116.db2.gz QPSSRHZTZMISFL-NSHDSACASA-N 2 2 271.386 2.462 20 5 CEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000123681485 187104117 /nfs/dbraw/zinc/10/41/17/187104117.db2.gz QPSSRHZTZMISFL-NSHDSACASA-N 2 2 271.386 2.462 20 5 CEBDLP Cn1c[nH+]cc1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000297592583 200235648 /nfs/dbraw/zinc/23/56/48/200235648.db2.gz JKCIMURAXORFPO-UHFFFAOYSA-N 2 2 288.351 2.045 20 5 CEBDLP Cn1c[nH+]cc1CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000297592583 200235649 /nfs/dbraw/zinc/23/56/49/200235649.db2.gz JKCIMURAXORFPO-UHFFFAOYSA-N 2 2 288.351 2.045 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093873069 364237292 /nfs/dbraw/zinc/23/72/92/364237292.db2.gz GGEBCNUBDNLYTP-UHFFFAOYSA-N 2 2 251.330 2.012 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093873069 364237300 /nfs/dbraw/zinc/23/73/00/364237300.db2.gz GGEBCNUBDNLYTP-UHFFFAOYSA-N 2 2 251.330 2.012 20 5 CEBDLP C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000268852206 372255557 /nfs/dbraw/zinc/25/55/57/372255557.db2.gz HMKLHTFRUBUWHI-IUODEOHRSA-N 2 2 291.395 2.456 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423180009 377093049 /nfs/dbraw/zinc/09/30/49/377093049.db2.gz DSMBHFFMZZQOCM-DGCLKSJQSA-N 2 2 293.367 2.396 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000567589090 377845800 /nfs/dbraw/zinc/84/58/00/377845800.db2.gz WKECIAIVBOZPIP-IMMZDGJCSA-N 2 2 287.363 2.293 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000567589090 377845806 /nfs/dbraw/zinc/84/58/06/377845806.db2.gz WKECIAIVBOZPIP-IMMZDGJCSA-N 2 2 287.363 2.293 20 5 CEBDLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000515671627 379235776 /nfs/dbraw/zinc/23/57/76/379235776.db2.gz PYZYNSJOAXWDCM-UHFFFAOYSA-N 2 2 275.352 2.298 20 5 CEBDLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000515671627 379235787 /nfs/dbraw/zinc/23/57/87/379235787.db2.gz PYZYNSJOAXWDCM-UHFFFAOYSA-N 2 2 275.352 2.298 20 5 CEBDLP C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000252102367 394569947 /nfs/dbraw/zinc/56/99/47/394569947.db2.gz GLQDDCVWNXVQIC-FZMZJTMJSA-N 2 2 263.341 2.154 20 5 CEBDLP C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000252102367 394569952 /nfs/dbraw/zinc/56/99/52/394569952.db2.gz GLQDDCVWNXVQIC-FZMZJTMJSA-N 2 2 263.341 2.154 20 5 CEBDLP COc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414830448 394757745 /nfs/dbraw/zinc/75/77/45/394757745.db2.gz AZPDPYMOJGQHCA-LBPRGKRZSA-N 2 2 281.356 2.066 20 5 CEBDLP C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]C1 ZINC000414914180 394802135 /nfs/dbraw/zinc/80/21/35/394802135.db2.gz XKXPMESUZSFAAH-AWEZNQCLSA-N 2 2 281.331 2.213 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414949816 394818726 /nfs/dbraw/zinc/81/87/26/394818726.db2.gz GUWGCINAFISUQZ-WCQYABFASA-N 2 2 263.341 2.133 20 5 CEBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000415052031 394864988 /nfs/dbraw/zinc/86/49/88/394864988.db2.gz GSLNWBGGMVSLGM-LBPRGKRZSA-N 2 2 269.320 2.197 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191407 400242288 /nfs/dbraw/zinc/24/22/88/400242288.db2.gz UZWYTUKFQFXPGE-RISCZKNCSA-N 2 2 263.341 2.297 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191407 400242291 /nfs/dbraw/zinc/24/22/91/400242291.db2.gz UZWYTUKFQFXPGE-RISCZKNCSA-N 2 2 263.341 2.297 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602457 153237934 /nfs/dbraw/zinc/23/79/34/153237934.db2.gz WCAGJHXKQIITNO-BNOWGMLFSA-N 2 2 275.352 2.149 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602457 153237937 /nfs/dbraw/zinc/23/79/37/153237937.db2.gz WCAGJHXKQIITNO-BNOWGMLFSA-N 2 2 275.352 2.149 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193602457 153237940 /nfs/dbraw/zinc/23/79/40/153237940.db2.gz WCAGJHXKQIITNO-BNOWGMLFSA-N 2 2 275.352 2.149 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193602457 153237944 /nfs/dbraw/zinc/23/79/44/153237944.db2.gz WCAGJHXKQIITNO-BNOWGMLFSA-N 2 2 275.352 2.149 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223191110 153315759 /nfs/dbraw/zinc/31/57/59/153315759.db2.gz VIDSNXZHOPATRX-SMDDNHRTSA-N 2 2 293.367 2.033 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223191110 153315763 /nfs/dbraw/zinc/31/57/63/153315763.db2.gz VIDSNXZHOPATRX-SMDDNHRTSA-N 2 2 293.367 2.033 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353213 270229371 /nfs/dbraw/zinc/22/93/71/270229371.db2.gz RCXOQLAUNJZOCW-UHFFFAOYSA-N 2 2 274.324 2.361 20 5 CEBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000420361728 270525737 /nfs/dbraw/zinc/52/57/37/270525737.db2.gz IIGSCKVSMSAJDA-GYSYKLTISA-N 2 2 263.341 2.071 20 5 CEBDLP CC(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000359460851 278037041 /nfs/dbraw/zinc/03/70/41/278037041.db2.gz XVKUDUFIVFCHQS-OKILXGFUSA-N 2 2 289.379 2.369 20 5 CEBDLP CC(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000359460851 278037044 /nfs/dbraw/zinc/03/70/44/278037044.db2.gz XVKUDUFIVFCHQS-OKILXGFUSA-N 2 2 289.379 2.369 20 5 CEBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]([NH3+])CC(F)F ZINC000903918281 635366140 /nfs/dbraw/zinc/36/61/40/635366140.db2.gz WDYTXANZEDHQRQ-NSHDSACASA-N 2 2 287.310 2.052 20 5 CEBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]([NH3+])CC(F)F ZINC000903918281 635366148 /nfs/dbraw/zinc/36/61/48/635366148.db2.gz WDYTXANZEDHQRQ-NSHDSACASA-N 2 2 287.310 2.052 20 5 CEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[NH+]1CCCC1 ZINC001173213042 815636886 /nfs/dbraw/zinc/63/68/86/815636886.db2.gz CZBBITOJJSJHJJ-ZDUSSCGKSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449075952 282090338 /nfs/dbraw/zinc/09/03/38/282090338.db2.gz OGMPXTRVDAROAK-QWHCGFSZSA-N 2 2 288.351 2.401 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324535 346821461 /nfs/dbraw/zinc/82/14/61/346821461.db2.gz PODLLADJRZZVGQ-ZDUSSCGKSA-N 2 2 263.341 2.298 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324535 346821463 /nfs/dbraw/zinc/82/14/63/346821463.db2.gz PODLLADJRZZVGQ-ZDUSSCGKSA-N 2 2 263.341 2.298 20 5 CEBDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000041118897 362020644 /nfs/dbraw/zinc/02/06/44/362020644.db2.gz PKYTZQKBHBKSTR-LLVKDONJSA-N 2 2 260.297 2.142 20 5 CEBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237080366 344599621 /nfs/dbraw/zinc/59/96/21/344599621.db2.gz KUYNNJGMNOGTPV-BTKRWWFXSA-N 2 2 275.352 2.292 20 5 CEBDLP C[N@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237080366 344599625 /nfs/dbraw/zinc/59/96/25/344599625.db2.gz KUYNNJGMNOGTPV-BTKRWWFXSA-N 2 2 275.352 2.292 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[NH2+]C1CC1)C1CC1 ZINC000591577323 345266238 /nfs/dbraw/zinc/26/62/38/345266238.db2.gz PVAUOPZKJAPVQO-OAHLLOKOSA-N 2 2 289.379 2.258 20 5 CEBDLP CC1([NH3+])CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000592431638 345352496 /nfs/dbraw/zinc/35/24/96/345352496.db2.gz UOODUKKBJXQLOM-GQCTYLIASA-N 2 2 275.352 2.421 20 5 CEBDLP C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593733304 345529492 /nfs/dbraw/zinc/52/94/92/345529492.db2.gz LENPBAYCYYOGAB-SMDDNHRTSA-N 2 2 293.367 2.250 20 5 CEBDLP C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593733304 345529495 /nfs/dbraw/zinc/52/94/95/345529495.db2.gz LENPBAYCYYOGAB-SMDDNHRTSA-N 2 2 293.367 2.250 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCC2 ZINC000596653857 346072833 /nfs/dbraw/zinc/07/28/33/346072833.db2.gz LWYRLNBBYYCXGT-AJQRCPHMSA-N 2 2 287.363 2.314 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000596653461 346072993 /nfs/dbraw/zinc/07/29/93/346072993.db2.gz KODVUSUNJJXMOT-XIKARTHZSA-N 2 2 275.352 2.306 20 5 CEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1C[NH+](C)C1 ZINC000597207943 346148812 /nfs/dbraw/zinc/14/88/12/346148812.db2.gz XLSLDWUFKOMEQV-QPEQYQDCSA-N 2 2 289.379 2.492 20 5 CEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000597207943 346148814 /nfs/dbraw/zinc/14/88/14/346148814.db2.gz XLSLDWUFKOMEQV-QPEQYQDCSA-N 2 2 289.379 2.492 20 5 CEBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598993337 346443441 /nfs/dbraw/zinc/44/34/41/346443441.db2.gz KUYNNJGMNOGTPV-HJHHMULASA-N 2 2 275.352 2.292 20 5 CEBDLP C[N@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598993337 346443444 /nfs/dbraw/zinc/44/34/44/346443444.db2.gz KUYNNJGMNOGTPV-HJHHMULASA-N 2 2 275.352 2.292 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000600679428 346673003 /nfs/dbraw/zinc/67/30/03/346673003.db2.gz KEYPNWLBJSJDNH-AAEUAGOBSA-N 2 2 263.341 2.133 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721705 180031529 /nfs/dbraw/zinc/03/15/29/180031529.db2.gz SQWVXWYDNQTYST-YPMHNXCESA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090721705 180031530 /nfs/dbraw/zinc/03/15/30/180031530.db2.gz SQWVXWYDNQTYST-YPMHNXCESA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720468 180030505 /nfs/dbraw/zinc/03/05/05/180030505.db2.gz XUFGGAHQBXCYFY-ONGXEEELSA-N 2 2 269.370 2.229 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000090720468 180030507 /nfs/dbraw/zinc/03/05/07/180030507.db2.gz XUFGGAHQBXCYFY-ONGXEEELSA-N 2 2 269.370 2.229 20 5 CEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504705 291055641 /nfs/dbraw/zinc/05/56/41/291055641.db2.gz WVEPGYFLCIRLGH-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504705 291055645 /nfs/dbraw/zinc/05/56/45/291055645.db2.gz WVEPGYFLCIRLGH-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000218990120 370216612 /nfs/dbraw/zinc/21/66/12/370216612.db2.gz SGRNQNKKFAUGBQ-LBPRGKRZSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000218990120 370216615 /nfs/dbraw/zinc/21/66/15/370216615.db2.gz SGRNQNKKFAUGBQ-LBPRGKRZSA-N 2 2 277.368 2.210 20 5 CEBDLP Cc1c(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358303204 371003573 /nfs/dbraw/zinc/00/35/73/371003573.db2.gz AVDANHJGBWNWBP-ABAIWWIYSA-N 2 2 289.379 2.476 20 5 CEBDLP Cc1c(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358303204 371003576 /nfs/dbraw/zinc/00/35/76/371003576.db2.gz AVDANHJGBWNWBP-ABAIWWIYSA-N 2 2 289.379 2.476 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261712655 371708809 /nfs/dbraw/zinc/70/88/09/371708809.db2.gz JNTHPABOQKNFSC-OSAQELSMSA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261712655 371708815 /nfs/dbraw/zinc/70/88/15/371708815.db2.gz JNTHPABOQKNFSC-OSAQELSMSA-N 2 2 275.352 2.340 20 5 CEBDLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423244076 377164543 /nfs/dbraw/zinc/16/45/43/377164543.db2.gz XIRSMSSAKOAIAV-GXTWGEPZSA-N 2 2 263.341 2.388 20 5 CEBDLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270459 377188820 /nfs/dbraw/zinc/18/88/20/377188820.db2.gz WTZROEROJMLDLQ-GXFFZTMASA-N 2 2 251.330 2.229 20 5 CEBDLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423570072 394953743 /nfs/dbraw/zinc/95/37/43/394953743.db2.gz WUCXFEHCMKPWOE-DGCLKSJQSA-N 2 2 263.341 2.388 20 5 CEBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414910377 296584267 /nfs/dbraw/zinc/58/42/67/296584267.db2.gz CNYGMAUHVXNFGE-FAQJLRJSSA-N 2 2 275.352 2.196 20 5 CEBDLP CC[NH+]1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000038098228 174113581 /nfs/dbraw/zinc/11/35/81/174113581.db2.gz QIRZUWICXMZYNN-UHFFFAOYSA-N 2 2 269.370 2.230 20 5 CEBDLP CC(C)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000359460850 278036932 /nfs/dbraw/zinc/03/69/32/278036932.db2.gz XVKUDUFIVFCHQS-KBPBESRZSA-N 2 2 289.379 2.369 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610531 281269225 /nfs/dbraw/zinc/26/92/25/281269225.db2.gz LBRZXHIVYFWDOX-SWLSCSKDSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610531 281269229 /nfs/dbraw/zinc/26/92/29/281269229.db2.gz LBRZXHIVYFWDOX-SWLSCSKDSA-N 2 2 293.367 2.175 20 5 CEBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000841027135 639620370 /nfs/dbraw/zinc/62/03/70/639620370.db2.gz XHXORDAUXQQMIA-UHFFFAOYSA-N 2 2 269.732 2.090 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841062261 639637940 /nfs/dbraw/zinc/63/79/40/639637940.db2.gz VBXXYMNTUQVEGO-KOLCDFICSA-N 2 2 283.759 2.478 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649090 361916995 /nfs/dbraw/zinc/91/69/95/361916995.db2.gz YTDQEVQQRQRHGK-GFCCVEGCSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649090 361917000 /nfs/dbraw/zinc/91/70/00/361917000.db2.gz YTDQEVQQRQRHGK-GFCCVEGCSA-N 2 2 275.352 2.169 20 5 CEBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000044364567 343470277 /nfs/dbraw/zinc/47/02/77/343470277.db2.gz RIPGBNRALXDJRW-ZDUSSCGKSA-N 2 2 277.368 2.415 20 5 CEBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000044364567 343470281 /nfs/dbraw/zinc/47/02/81/343470281.db2.gz RIPGBNRALXDJRW-ZDUSSCGKSA-N 2 2 277.368 2.415 20 5 CEBDLP Cc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275678 345236845 /nfs/dbraw/zinc/23/68/45/345236845.db2.gz WIWVPWFIANCZEA-ZDUSSCGKSA-N 2 2 263.341 2.135 20 5 CEBDLP C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000060390880 362660527 /nfs/dbraw/zinc/66/05/27/362660527.db2.gz JEODFZZQVSKOQZ-NSHDSACASA-N 2 2 283.397 2.478 20 5 CEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000123681268 187104380 /nfs/dbraw/zinc/10/43/80/187104380.db2.gz QPSSRHZTZMISFL-LLVKDONJSA-N 2 2 271.386 2.462 20 5 CEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000123681268 187104381 /nfs/dbraw/zinc/10/43/81/187104381.db2.gz QPSSRHZTZMISFL-LLVKDONJSA-N 2 2 271.386 2.462 20 5 CEBDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089511974 363975417 /nfs/dbraw/zinc/97/54/17/363975417.db2.gz UJSUACSTYSRIIE-TZMCWYRMSA-N 2 2 277.368 2.415 20 5 CEBDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089511974 363975421 /nfs/dbraw/zinc/97/54/21/363975421.db2.gz UJSUACSTYSRIIE-TZMCWYRMSA-N 2 2 277.368 2.415 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000101593177 364565348 /nfs/dbraw/zinc/56/53/48/364565348.db2.gz QWQORTSNXLVUHI-ZIAGYGMSSA-N 2 2 275.352 2.311 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000101593177 364565353 /nfs/dbraw/zinc/56/53/53/364565353.db2.gz QWQORTSNXLVUHI-ZIAGYGMSSA-N 2 2 275.352 2.311 20 5 CEBDLP C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163446605 367240431 /nfs/dbraw/zinc/24/04/31/367240431.db2.gz XJXHMUSTONPBOU-KOLCDFICSA-N 2 2 269.370 2.073 20 5 CEBDLP C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163446605 367240433 /nfs/dbraw/zinc/24/04/33/367240433.db2.gz XJXHMUSTONPBOU-KOLCDFICSA-N 2 2 269.370 2.073 20 5 CEBDLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227436397 370371040 /nfs/dbraw/zinc/37/10/40/370371040.db2.gz OILMBIARVWTIAP-UHFFFAOYSA-N 2 2 265.357 2.415 20 5 CEBDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227436397 370371044 /nfs/dbraw/zinc/37/10/44/370371044.db2.gz OILMBIARVWTIAP-UHFFFAOYSA-N 2 2 265.357 2.415 20 5 CEBDLP C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000261580836 371661379 /nfs/dbraw/zinc/66/13/79/371661379.db2.gz FPIOMFJPGDYLNH-NSHDSACASA-N 2 2 263.341 2.340 20 5 CEBDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344622545 217251249 /nfs/dbraw/zinc/25/12/49/217251249.db2.gz ZLDWECKZRMWSHY-TZMCWYRMSA-N 2 2 277.368 2.067 20 5 CEBDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344622545 217251252 /nfs/dbraw/zinc/25/12/52/217251252.db2.gz ZLDWECKZRMWSHY-TZMCWYRMSA-N 2 2 277.368 2.067 20 5 CEBDLP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414791797 375973788 /nfs/dbraw/zinc/97/37/88/375973788.db2.gz RADREYJMRKNQHQ-UHFFFAOYSA-N 2 2 263.341 2.216 20 5 CEBDLP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414791797 375973793 /nfs/dbraw/zinc/97/37/93/375973793.db2.gz RADREYJMRKNQHQ-UHFFFAOYSA-N 2 2 263.341 2.216 20 5 CEBDLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423142931 377042846 /nfs/dbraw/zinc/04/28/46/377042846.db2.gz BTLMLTQSBUFBID-COPLHBTASA-N 2 2 263.341 2.386 20 5 CEBDLP C[NH2+]CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423253022 377172792 /nfs/dbraw/zinc/17/27/92/377172792.db2.gz YERUKELFFREYJW-ZDUSSCGKSA-N 2 2 263.341 2.126 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423275907 377200856 /nfs/dbraw/zinc/20/08/56/377200856.db2.gz MHOJXZNNRIHFFQ-ZWNOBZJWSA-N 2 2 293.367 2.381 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000332197867 285145672 /nfs/dbraw/zinc/14/56/72/285145672.db2.gz DZPSAJKIBBIBNI-SWLSCSKDSA-N 2 2 275.352 2.314 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422719942 394739046 /nfs/dbraw/zinc/73/90/46/394739046.db2.gz RQSAXAINHPDBSI-KGLIPLIRSA-N 2 2 293.367 2.353 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414941970 394814096 /nfs/dbraw/zinc/81/40/96/394814096.db2.gz DDEAIYLDQCWULH-AAEUAGOBSA-N 2 2 293.367 2.224 20 5 CEBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618108 395023549 /nfs/dbraw/zinc/02/35/49/395023549.db2.gz XWCJNPZOJKGKBK-FZMZJTMJSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618108 395023553 /nfs/dbraw/zinc/02/35/53/395023553.db2.gz XWCJNPZOJKGKBK-FZMZJTMJSA-N 2 2 263.341 2.340 20 5 CEBDLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000035275289 172095159 /nfs/dbraw/zinc/09/51/59/172095159.db2.gz BTBOTILHIVQJIA-GFCCVEGCSA-N 2 2 274.324 2.278 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423437570 281041794 /nfs/dbraw/zinc/04/17/94/281041794.db2.gz GGDUSTDKXYQUTG-VWYCJHECSA-N 2 2 281.356 2.380 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000181077215 627368505 /nfs/dbraw/zinc/36/85/05/627368505.db2.gz ARKRBTZXKZOHEN-UHFFFAOYSA-N 2 2 292.314 2.453 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000181077215 627368507 /nfs/dbraw/zinc/36/85/07/627368507.db2.gz ARKRBTZXKZOHEN-UHFFFAOYSA-N 2 2 292.314 2.453 20 5 CEBDLP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000903057076 634949138 /nfs/dbraw/zinc/94/91/38/634949138.db2.gz BCAAFESQDCVPJV-LLVKDONJSA-N 2 2 290.323 2.151 20 5 CEBDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877741238 650884203 /nfs/dbraw/zinc/88/42/03/650884203.db2.gz ACWQKXYWGYKCLR-UKRRQHHQSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877741238 650884205 /nfs/dbraw/zinc/88/42/05/650884205.db2.gz ACWQKXYWGYKCLR-UKRRQHHQSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877741238 650884208 /nfs/dbraw/zinc/88/42/08/650884208.db2.gz ACWQKXYWGYKCLR-UKRRQHHQSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877741238 650884212 /nfs/dbraw/zinc/88/42/12/650884212.db2.gz ACWQKXYWGYKCLR-UKRRQHHQSA-N 2 2 275.352 2.121 20 5 CEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000866216101 647676170 /nfs/dbraw/zinc/67/61/70/647676170.db2.gz PUBINSCCTNQVDQ-GFCCVEGCSA-N 2 2 295.358 2.350 20 5 CEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH+](C)C ZINC000866259947 647699963 /nfs/dbraw/zinc/69/99/63/647699963.db2.gz RCGNRVQYUSNYLZ-MNOVXSKESA-N 2 2 283.347 2.205 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230165 649601614 /nfs/dbraw/zinc/60/16/14/649601614.db2.gz NBCIVWMFEXMMAM-HZYFSWNCSA-N 2 2 287.363 2.482 20 5 CEBDLP Cc1c(NC(=[NH2+])SCC[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001167913480 803503660 /nfs/dbraw/zinc/50/36/60/803503660.db2.gz AXQCNYKDOXSGCC-UHFFFAOYSA-N 2 2 272.305 2.081 20 5 CEBDLP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170295247 812375228 /nfs/dbraw/zinc/37/52/28/812375228.db2.gz BWBJYTCFZFGPPW-RYUDHWBXSA-N 2 2 295.383 2.074 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(F)c1 ZINC000601334459 346823599 /nfs/dbraw/zinc/82/35/99/346823599.db2.gz KUDNFLKUNQBCDN-NHYWBVRUSA-N 2 2 293.342 2.308 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(F)c1 ZINC000601334459 346823602 /nfs/dbraw/zinc/82/36/02/346823602.db2.gz KUDNFLKUNQBCDN-NHYWBVRUSA-N 2 2 293.342 2.308 20 5 CEBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000602018943 346961692 /nfs/dbraw/zinc/96/16/92/346961692.db2.gz CNKAANYSMFZINP-MWLCHTKSSA-N 2 2 283.759 2.275 20 5 CEBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000602018943 346961695 /nfs/dbraw/zinc/96/16/95/346961695.db2.gz CNKAANYSMFZINP-MWLCHTKSSA-N 2 2 283.759 2.275 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275624 345236633 /nfs/dbraw/zinc/23/66/33/345236633.db2.gz LGXGRHIAOSHVPB-DYLGSBMWSA-N 2 2 275.352 2.340 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000594738085 345682618 /nfs/dbraw/zinc/68/26/18/345682618.db2.gz GHQGDZBMSFHDDK-UHFFFAOYSA-N 2 2 267.304 2.095 20 5 CEBDLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596654348 346072671 /nfs/dbraw/zinc/07/26/71/346072671.db2.gz JRAKSPJYSNFGMM-HZMBPMFUSA-N 2 2 263.341 2.170 20 5 CEBDLP C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000060942151 362672723 /nfs/dbraw/zinc/67/27/23/362672723.db2.gz CYPDPCXDBKHDKY-ZDUSSCGKSA-N 2 2 277.368 2.416 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196048 362758858 /nfs/dbraw/zinc/75/88/58/362758858.db2.gz RNBKJXCZQJFALA-SWLSCSKDSA-N 2 2 277.368 2.339 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196048 362758860 /nfs/dbraw/zinc/75/88/60/362758860.db2.gz RNBKJXCZQJFALA-SWLSCSKDSA-N 2 2 277.368 2.339 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090720519 180030284 /nfs/dbraw/zinc/03/02/84/180030284.db2.gz PPUVXBIOLHYDPG-AAEUAGOBSA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000090720519 180030286 /nfs/dbraw/zinc/03/02/86/180030286.db2.gz PPUVXBIOLHYDPG-AAEUAGOBSA-N 2 2 263.341 2.167 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540437 369778481 /nfs/dbraw/zinc/77/84/81/369778481.db2.gz LALAWBGPOCQQQN-OAHLLOKOSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540437 369778487 /nfs/dbraw/zinc/77/84/87/369778487.db2.gz LALAWBGPOCQQQN-OAHLLOKOSA-N 2 2 275.352 2.170 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261805216 371738298 /nfs/dbraw/zinc/73/82/98/371738298.db2.gz RUAUSFKZMWAXCF-NSHDSACASA-N 2 2 281.331 2.165 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261805216 371738303 /nfs/dbraw/zinc/73/83/03/371738303.db2.gz RUAUSFKZMWAXCF-NSHDSACASA-N 2 2 281.331 2.165 20 5 CEBDLP C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000268852205 372254869 /nfs/dbraw/zinc/25/48/69/372254869.db2.gz HMKLHTFRUBUWHI-DOMZBBRYSA-N 2 2 291.395 2.456 20 5 CEBDLP CC(C)([NH3+])C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414803636 375989649 /nfs/dbraw/zinc/98/96/49/375989649.db2.gz MEJWTOVQLLEHGI-UHFFFAOYSA-N 2 2 289.282 2.023 20 5 CEBDLP CC[NH2+]CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423236359 377154785 /nfs/dbraw/zinc/15/47/85/377154785.db2.gz CALJJHVQSJAIPT-CYBMUJFWSA-N 2 2 251.330 2.245 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C[NH3+])CC(C)C ZINC000414830632 394758830 /nfs/dbraw/zinc/75/88/30/394758830.db2.gz BGFQJUGDHGBYBO-ZDUSSCGKSA-N 2 2 265.357 2.366 20 5 CEBDLP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000414769491 394750516 /nfs/dbraw/zinc/75/05/16/394750516.db2.gz WQRFZLJRFUQSCS-CQSZACIVSA-N 2 2 279.384 2.443 20 5 CEBDLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000414769491 394750518 /nfs/dbraw/zinc/75/05/18/394750518.db2.gz WQRFZLJRFUQSCS-CQSZACIVSA-N 2 2 279.384 2.443 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+]CCC[NH2+]C2CC2)c(Cl)c1 ZINC000415072209 394875572 /nfs/dbraw/zinc/87/55/72/394875572.db2.gz VNBUOYJHIRAFBT-UHFFFAOYSA-N 2 2 283.759 2.480 20 5 CEBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000415013110 394849520 /nfs/dbraw/zinc/84/95/20/394849520.db2.gz KCADZWQGIPLYAO-HTQZYQBOSA-N 2 2 257.721 2.074 20 5 CEBDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618408 395023467 /nfs/dbraw/zinc/02/34/67/395023467.db2.gz XWCJNPZOJKGKBK-BXUZGUMPSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618408 395023470 /nfs/dbraw/zinc/02/34/70/395023470.db2.gz XWCJNPZOJKGKBK-BXUZGUMPSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420330375 395330692 /nfs/dbraw/zinc/33/06/92/395330692.db2.gz IAEGOSOXEZBART-JSGCOSHPSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420330375 395330696 /nfs/dbraw/zinc/33/06/96/395330696.db2.gz IAEGOSOXEZBART-JSGCOSHPSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420330373 395331222 /nfs/dbraw/zinc/33/12/22/395331222.db2.gz IAEGOSOXEZBART-GXTWGEPZSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420330373 395331223 /nfs/dbraw/zinc/33/12/23/395331223.db2.gz IAEGOSOXEZBART-GXTWGEPZSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170877 153292498 /nfs/dbraw/zinc/29/24/98/153292498.db2.gz FFXIKASICOUXJW-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170877 153292501 /nfs/dbraw/zinc/29/25/01/153292501.db2.gz FFXIKASICOUXJW-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000044534324 175197305 /nfs/dbraw/zinc/19/73/05/175197305.db2.gz IOPHYIKDXLXESS-GFCCVEGCSA-N 2 2 263.341 2.026 20 5 CEBDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000044534324 175197307 /nfs/dbraw/zinc/19/73/07/175197307.db2.gz IOPHYIKDXLXESS-GFCCVEGCSA-N 2 2 263.341 2.026 20 5 CEBDLP CC[NH2+]CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423236360 270879906 /nfs/dbraw/zinc/87/99/06/270879906.db2.gz CALJJHVQSJAIPT-ZDUSSCGKSA-N 2 2 251.330 2.245 20 5 CEBDLP C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070984171 278343076 /nfs/dbraw/zinc/34/30/76/278343076.db2.gz GLQDDCVWNXVQIC-SMDDNHRTSA-N 2 2 263.341 2.154 20 5 CEBDLP C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070984171 278343077 /nfs/dbraw/zinc/34/30/77/278343077.db2.gz GLQDDCVWNXVQIC-SMDDNHRTSA-N 2 2 263.341 2.154 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CC1 ZINC000417351428 534254429 /nfs/dbraw/zinc/25/44/29/534254429.db2.gz CNVHRVGLSBGABR-LBPRGKRZSA-N 2 2 277.368 2.210 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163853099 525460148 /nfs/dbraw/zinc/46/01/48/525460148.db2.gz RVCSXCCHFZOXSC-AAEUAGOBSA-N 2 2 293.367 2.020 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163853099 525460155 /nfs/dbraw/zinc/46/01/55/525460155.db2.gz RVCSXCCHFZOXSC-AAEUAGOBSA-N 2 2 293.367 2.020 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000904449308 635640460 /nfs/dbraw/zinc/64/04/60/635640460.db2.gz ISWMZIDLWHHPTQ-UHFFFAOYSA-N 2 2 287.319 2.436 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000841061445 639638023 /nfs/dbraw/zinc/63/80/23/639638023.db2.gz JIEJOXUZCIWWFX-JOYOIKCWSA-N 2 2 283.759 2.478 20 5 CEBDLP CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000841065896 639640788 /nfs/dbraw/zinc/64/07/88/639640788.db2.gz UUYMBJDSXNGQIO-UHFFFAOYSA-N 2 2 283.759 2.480 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074735 641629755 /nfs/dbraw/zinc/62/97/55/641629755.db2.gz MQQGDODHILGNGH-MNOVXSKESA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074735 641629761 /nfs/dbraw/zinc/62/97/61/641629761.db2.gz MQQGDODHILGNGH-MNOVXSKESA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@H](C[N+](C)(C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953673 810517869 /nfs/dbraw/zinc/51/78/69/810517869.db2.gz CTFHKGJTFAEGST-CYBMUJFWSA-N 2 2 260.361 2.346 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000449103138 282101002 /nfs/dbraw/zinc/10/10/02/282101002.db2.gz OTWPRVJYBMPAMC-GXTWGEPZSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1C ZINC000449103138 282101004 /nfs/dbraw/zinc/10/10/04/282101004.db2.gz OTWPRVJYBMPAMC-GXTWGEPZSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)[NH+](C)C ZINC000449224157 282147933 /nfs/dbraw/zinc/14/79/33/282147933.db2.gz KTCGSNWFTQWCMF-VXGBXAGGSA-N 2 2 265.357 2.066 20 5 CEBDLP C[N@H+](CCC[NH3+])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000133796400 344370714 /nfs/dbraw/zinc/37/07/14/344370714.db2.gz FIBSCWUUBOXVCS-UHFFFAOYSA-N 2 2 257.721 2.029 20 5 CEBDLP C[N@@H+](CCC[NH3+])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000133796400 344370716 /nfs/dbraw/zinc/37/07/16/344370716.db2.gz FIBSCWUUBOXVCS-UHFFFAOYSA-N 2 2 257.721 2.029 20 5 CEBDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015581 362389583 /nfs/dbraw/zinc/38/95/83/362389583.db2.gz CUHXWXGFEJIYKH-BZPMIXESSA-N 2 2 277.368 2.413 20 5 CEBDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015581 362389586 /nfs/dbraw/zinc/38/95/86/362389586.db2.gz CUHXWXGFEJIYKH-BZPMIXESSA-N 2 2 277.368 2.413 20 5 CEBDLP O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594929854 345706334 /nfs/dbraw/zinc/70/63/34/345706334.db2.gz OSLGPXGOVKPYQQ-UHFFFAOYSA-N 2 2 286.335 2.070 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598720326 346407360 /nfs/dbraw/zinc/40/73/60/346407360.db2.gz PZOYLIOUEGCANL-DZGCQCFKSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598720326 346407362 /nfs/dbraw/zinc/40/73/62/346407362.db2.gz PZOYLIOUEGCANL-DZGCQCFKSA-N 2 2 275.352 2.216 20 5 CEBDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000600715061 346676567 /nfs/dbraw/zinc/67/65/67/346676567.db2.gz XNICHNXOWVIFNT-VQISRLSMSA-N 2 2 275.352 2.312 20 5 CEBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000600750933 346684324 /nfs/dbraw/zinc/68/43/24/346684324.db2.gz XTRYPRNBUXBFSS-GASCZTMLSA-N 2 2 275.352 2.026 20 5 CEBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000600750933 346684330 /nfs/dbraw/zinc/68/43/30/346684330.db2.gz XTRYPRNBUXBFSS-GASCZTMLSA-N 2 2 275.352 2.026 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351847501 219224350 /nfs/dbraw/zinc/22/43/50/219224350.db2.gz AAVXXLWOXPTUAD-NEPJUHHUSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351847501 219224348 /nfs/dbraw/zinc/22/43/48/219224348.db2.gz AAVXXLWOXPTUAD-NEPJUHHUSA-N 2 2 293.367 2.163 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000273450052 192155800 /nfs/dbraw/zinc/15/58/00/192155800.db2.gz YOPJDPWLHPNLQY-CJNGLKHVSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000273450052 192155803 /nfs/dbraw/zinc/15/58/03/192155803.db2.gz YOPJDPWLHPNLQY-CJNGLKHVSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000273450052 192155805 /nfs/dbraw/zinc/15/58/05/192155805.db2.gz YOPJDPWLHPNLQY-CJNGLKHVSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000273450052 192155808 /nfs/dbraw/zinc/15/58/08/192155808.db2.gz YOPJDPWLHPNLQY-CJNGLKHVSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272581014 373562021 /nfs/dbraw/zinc/56/20/21/373562021.db2.gz GRVPZHSVXCRJMT-GOEBONIOSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272581014 373562029 /nfs/dbraw/zinc/56/20/29/373562029.db2.gz GRVPZHSVXCRJMT-GOEBONIOSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272581014 373562035 /nfs/dbraw/zinc/56/20/35/373562035.db2.gz GRVPZHSVXCRJMT-GOEBONIOSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272581014 373562041 /nfs/dbraw/zinc/56/20/41/373562041.db2.gz GRVPZHSVXCRJMT-GOEBONIOSA-N 2 2 289.379 2.429 20 5 CEBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414794772 375977178 /nfs/dbraw/zinc/97/71/78/375977178.db2.gz MDRSLQYLCRKQKN-LBPRGKRZSA-N 2 2 271.748 2.321 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000423286625 377214947 /nfs/dbraw/zinc/21/49/47/377214947.db2.gz HUAFNTZTMXAXBM-SNVBAGLBSA-N 2 2 281.356 2.381 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000347111840 218126878 /nfs/dbraw/zinc/12/68/78/218126878.db2.gz QAFOYUPHDHAEHQ-GFCCVEGCSA-N 2 2 293.367 2.035 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000347111840 218126881 /nfs/dbraw/zinc/12/68/81/218126881.db2.gz QAFOYUPHDHAEHQ-GFCCVEGCSA-N 2 2 293.367 2.035 20 5 CEBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414910379 394800127 /nfs/dbraw/zinc/80/01/27/394800127.db2.gz CNYGMAUHVXNFGE-HRLNJXSSSA-N 2 2 275.352 2.196 20 5 CEBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000415047691 394863834 /nfs/dbraw/zinc/86/38/34/394863834.db2.gz FLLJMKCRDFXRSW-LBPRGKRZSA-N 2 2 251.330 2.058 20 5 CEBDLP COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415050599 394864429 /nfs/dbraw/zinc/86/44/29/394864429.db2.gz ITBLRDOXCASYGI-ZDUSSCGKSA-N 2 2 281.356 2.066 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423355006 394899305 /nfs/dbraw/zinc/89/93/05/394899305.db2.gz DQSZMTGGDZHEJM-COPLHBTASA-N 2 2 263.341 2.243 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423366843 394902171 /nfs/dbraw/zinc/90/21/71/394902171.db2.gz QRAYLXLUCPDGMQ-OUCADQQQSA-N 2 2 277.368 2.113 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423445255 394923389 /nfs/dbraw/zinc/92/33/89/394923389.db2.gz MNAGLRZVUSRCFW-MXWKQRLJSA-N 2 2 251.330 2.290 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000347033643 395118014 /nfs/dbraw/zinc/11/80/14/395118014.db2.gz BXCNNFZDKDRYGT-ABAIWWIYSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000347033643 395118019 /nfs/dbraw/zinc/11/80/19/395118019.db2.gz BXCNNFZDKDRYGT-ABAIWWIYSA-N 2 2 277.368 2.462 20 5 CEBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000420354400 395342751 /nfs/dbraw/zinc/34/27/51/395342751.db2.gz CUNUGZPRDSLDLF-GFCCVEGCSA-N 2 2 251.330 2.058 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000040601365 174351454 /nfs/dbraw/zinc/35/14/54/174351454.db2.gz RRXVUVHDJWBVOK-ZDUSSCGKSA-N 2 2 277.368 2.335 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000040601365 174351455 /nfs/dbraw/zinc/35/14/55/174351455.db2.gz RRXVUVHDJWBVOK-ZDUSSCGKSA-N 2 2 277.368 2.335 20 5 CEBDLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177070 278347163 /nfs/dbraw/zinc/34/71/63/278347163.db2.gz RLLDEGCUDLLUGW-GFCCVEGCSA-N 2 2 263.341 2.341 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423445256 281043911 /nfs/dbraw/zinc/04/39/11/281043911.db2.gz MNAGLRZVUSRCFW-VWYCJHECSA-N 2 2 251.330 2.290 20 5 CEBDLP C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050443381 523777253 /nfs/dbraw/zinc/77/72/53/523777253.db2.gz NTCFVJWPWGZAFG-UHFFFAOYSA-N 2 2 283.759 2.432 20 5 CEBDLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800174 635277008 /nfs/dbraw/zinc/27/70/08/635277008.db2.gz USRUNZWBCZVPON-GDBMZVCRSA-N 2 2 289.379 2.341 20 5 CEBDLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800174 635277012 /nfs/dbraw/zinc/27/70/12/635277012.db2.gz USRUNZWBCZVPON-GDBMZVCRSA-N 2 2 289.379 2.341 20 5 CEBDLP Cc1c(C[N@@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000779195005 647296656 /nfs/dbraw/zinc/29/66/56/647296656.db2.gz QUCLIPIKCCHTEE-UHFFFAOYSA-N 2 2 265.357 2.287 20 5 CEBDLP Cc1c(C[N@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000779195005 647296658 /nfs/dbraw/zinc/29/66/58/647296658.db2.gz QUCLIPIKCCHTEE-UHFFFAOYSA-N 2 2 265.357 2.287 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010898 805486810 /nfs/dbraw/zinc/48/68/10/805486810.db2.gz VACGMOFITJASQI-KOLCDFICSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010898 805486828 /nfs/dbraw/zinc/48/68/28/805486828.db2.gz VACGMOFITJASQI-KOLCDFICSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897644 815539384 /nfs/dbraw/zinc/53/93/84/815539384.db2.gz BWCYRJHQEPAAMR-IUODEOHRSA-N 2 2 291.395 2.382 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000601325027 346821030 /nfs/dbraw/zinc/82/10/30/346821030.db2.gz XLTRUMQYOGRMTB-CYBMUJFWSA-N 2 2 263.341 2.298 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000601325027 346821034 /nfs/dbraw/zinc/82/10/34/346821034.db2.gz XLTRUMQYOGRMTB-CYBMUJFWSA-N 2 2 263.341 2.298 20 5 CEBDLP CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000122801057 344307997 /nfs/dbraw/zinc/30/79/97/344307997.db2.gz UTHNSRCAHJMWHV-RISCZKNCSA-N 2 2 293.367 2.163 20 5 CEBDLP CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000122801057 344307998 /nfs/dbraw/zinc/30/79/98/344307998.db2.gz UTHNSRCAHJMWHV-RISCZKNCSA-N 2 2 293.367 2.163 20 5 CEBDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015584 362389622 /nfs/dbraw/zinc/38/96/22/362389622.db2.gz CUHXWXGFEJIYKH-MBNYWOFBSA-N 2 2 277.368 2.413 20 5 CEBDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015584 362389627 /nfs/dbraw/zinc/38/96/27/362389627.db2.gz CUHXWXGFEJIYKH-MBNYWOFBSA-N 2 2 277.368 2.413 20 5 CEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725927 345527841 /nfs/dbraw/zinc/52/78/41/345527841.db2.gz ZTFMOCAHJFZZKS-ZDUSSCGKSA-N 2 2 281.356 2.106 20 5 CEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725927 345527842 /nfs/dbraw/zinc/52/78/42/345527842.db2.gz ZTFMOCAHJFZZKS-ZDUSSCGKSA-N 2 2 281.356 2.106 20 5 CEBDLP Cc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594514655 345641697 /nfs/dbraw/zinc/64/16/97/345641697.db2.gz YPNRNNGWOWGDRE-UHFFFAOYSA-N 2 2 263.341 2.085 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000595006137 345724539 /nfs/dbraw/zinc/72/45/39/345724539.db2.gz HZPXNWPFXYNSHL-NSHDSACASA-N 2 2 281.356 2.206 20 5 CEBDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000596654009 346072848 /nfs/dbraw/zinc/07/28/48/346072848.db2.gz NJMRREUFFALWLC-ONGXEEELSA-N 2 2 251.330 2.162 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191408 362755295 /nfs/dbraw/zinc/75/52/95/362755295.db2.gz UZWYTUKFQFXPGE-SMDDNHRTSA-N 2 2 263.341 2.297 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191408 362755298 /nfs/dbraw/zinc/75/52/98/362755298.db2.gz UZWYTUKFQFXPGE-SMDDNHRTSA-N 2 2 263.341 2.297 20 5 CEBDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000600715058 346676543 /nfs/dbraw/zinc/67/65/43/346676543.db2.gz XNICHNXOWVIFNT-COLVAYQJSA-N 2 2 275.352 2.312 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090720517 180030080 /nfs/dbraw/zinc/03/00/80/180030080.db2.gz PPUVXBIOLHYDPG-WCQYABFASA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000090720517 180030081 /nfs/dbraw/zinc/03/00/81/180030081.db2.gz PPUVXBIOLHYDPG-WCQYABFASA-N 2 2 263.341 2.167 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000111158496 186362455 /nfs/dbraw/zinc/36/24/55/186362455.db2.gz CZCVJKWBGVOHSG-NWDGAFQWSA-N 2 2 281.381 2.373 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000111158496 186362456 /nfs/dbraw/zinc/36/24/56/186362456.db2.gz CZCVJKWBGVOHSG-NWDGAFQWSA-N 2 2 281.381 2.373 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171983 363045464 /nfs/dbraw/zinc/04/54/64/363045464.db2.gz WMOHZRSPFXHXFI-ONGXEEELSA-N 2 2 269.370 2.216 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171983 363045470 /nfs/dbraw/zinc/04/54/70/363045470.db2.gz WMOHZRSPFXHXFI-ONGXEEELSA-N 2 2 269.370 2.216 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122394751 187030416 /nfs/dbraw/zinc/03/04/16/187030416.db2.gz ALVPSIFSKPXPOF-AAEUAGOBSA-N 2 2 293.367 2.176 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122394751 187030417 /nfs/dbraw/zinc/03/04/17/187030417.db2.gz ALVPSIFSKPXPOF-AAEUAGOBSA-N 2 2 293.367 2.176 20 5 CEBDLP C[NH+](C)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439701 363810082 /nfs/dbraw/zinc/81/00/82/363810082.db2.gz YCYMQJKNELZLET-UHFFFAOYSA-N 2 2 271.748 2.290 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630947 369965445 /nfs/dbraw/zinc/96/54/45/369965445.db2.gz YNCMPZIXSNVAPN-MCIONIFRSA-N 2 2 289.379 2.458 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630947 369965449 /nfs/dbraw/zinc/96/54/49/369965449.db2.gz YNCMPZIXSNVAPN-MCIONIFRSA-N 2 2 289.379 2.458 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193630947 369965451 /nfs/dbraw/zinc/96/54/51/369965451.db2.gz YNCMPZIXSNVAPN-MCIONIFRSA-N 2 2 289.379 2.458 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193630947 369965454 /nfs/dbraw/zinc/96/54/54/369965454.db2.gz YNCMPZIXSNVAPN-MCIONIFRSA-N 2 2 289.379 2.458 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423194463 377107288 /nfs/dbraw/zinc/10/72/88/377107288.db2.gz RNSAOKAOQDXEHK-AAEUAGOBSA-N 2 2 263.341 2.306 20 5 CEBDLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267937 377186269 /nfs/dbraw/zinc/18/62/69/377186269.db2.gz UFJGDFSZPGDNLM-ZWNOBZJWSA-N 2 2 251.330 2.229 20 5 CEBDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884855 377460782 /nfs/dbraw/zinc/46/07/82/377460782.db2.gz JOSUVDBDQMJZDI-DGCLKSJQSA-N 2 2 286.335 2.457 20 5 CEBDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254952 219003359 /nfs/dbraw/zinc/00/33/59/219003359.db2.gz RXCOUAHOQSXIAJ-ZWNOBZJWSA-N 2 2 297.786 2.330 20 5 CEBDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254952 219003361 /nfs/dbraw/zinc/00/33/61/219003361.db2.gz RXCOUAHOQSXIAJ-ZWNOBZJWSA-N 2 2 297.786 2.330 20 5 CEBDLP CCC[NH2+]CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414867822 394778773 /nfs/dbraw/zinc/77/87/73/394778773.db2.gz JJWBAUCKEOFOTQ-ALCCZGGFSA-N 2 2 263.341 2.197 20 5 CEBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414950458 394820420 /nfs/dbraw/zinc/82/04/20/394820420.db2.gz HXOLBHRIMPRXBS-JTQLQIEISA-N 2 2 275.308 2.292 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415072941 394875422 /nfs/dbraw/zinc/87/54/22/394875422.db2.gz XODJPMODIRRXHW-CYBMUJFWSA-N 2 2 263.341 2.135 20 5 CEBDLP CC[N@H+]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000340104643 394978248 /nfs/dbraw/zinc/97/82/48/394978248.db2.gz JDLXJKMTVSUNQQ-WFASDCNBSA-N 2 2 277.368 2.067 20 5 CEBDLP CC[N@@H+]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000340104643 394978251 /nfs/dbraw/zinc/97/82/51/394978251.db2.gz JDLXJKMTVSUNQQ-WFASDCNBSA-N 2 2 277.368 2.067 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041066846 174468124 /nfs/dbraw/zinc/46/81/24/174468124.db2.gz LSGHIQSXLDZCTK-CYBMUJFWSA-N 2 2 263.341 2.026 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041066846 174468126 /nfs/dbraw/zinc/46/81/26/174468126.db2.gz LSGHIQSXLDZCTK-CYBMUJFWSA-N 2 2 263.341 2.026 20 5 CEBDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000041119434 174485933 /nfs/dbraw/zinc/48/59/33/174485933.db2.gz UWVIUMPRQAGJPY-NSHDSACASA-N 2 2 260.297 2.142 20 5 CEBDLP CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000071332064 176125229 /nfs/dbraw/zinc/12/52/29/176125229.db2.gz UKEXEYJORIVOIX-AWEZNQCLSA-N 2 2 277.368 2.477 20 5 CEBDLP CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000071332064 176125230 /nfs/dbraw/zinc/12/52/30/176125230.db2.gz UKEXEYJORIVOIX-AWEZNQCLSA-N 2 2 277.368 2.477 20 5 CEBDLP C[C@](C[NH3+])([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000430563503 271390665 /nfs/dbraw/zinc/39/06/65/271390665.db2.gz WILCWYCQUVQSBS-CYBMUJFWSA-N 2 2 283.759 2.465 20 5 CEBDLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414928851 528952188 /nfs/dbraw/zinc/95/21/88/528952188.db2.gz NNOCHJWMXNDQCV-AWEZNQCLSA-N 2 2 277.368 2.463 20 5 CEBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841029487 631811980 /nfs/dbraw/zinc/81/19/80/631811980.db2.gz HUSZFPQDKNNZSX-LLVKDONJSA-N 2 2 271.748 2.321 20 5 CEBDLP [NH3+]C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841028286 639621346 /nfs/dbraw/zinc/62/13/46/639621346.db2.gz NWRURDCKSVLHNN-NSHDSACASA-N 2 2 269.732 2.075 20 5 CEBDLP CC[N+](C)(C)Cc1ccccc1NC[C@H]1COCC[N@@H+]1C ZINC001169653756 811607555 /nfs/dbraw/zinc/60/75/55/811607555.db2.gz KVWVOAHIKYPZQU-INIZCTEOSA-N 2 2 292.447 2.025 20 5 CEBDLP CC[N+](C)(C)Cc1ccccc1NC[C@H]1COCC[N@H+]1C ZINC001169653756 811607558 /nfs/dbraw/zinc/60/75/58/811607558.db2.gz KVWVOAHIKYPZQU-INIZCTEOSA-N 2 2 292.447 2.025 20 5 CEBDLP CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000313445303 344742244 /nfs/dbraw/zinc/74/22/44/344742244.db2.gz BDUINTVHMWQDMM-YGRLFVJLSA-N 2 2 281.331 2.293 20 5 CEBDLP CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000313445303 344742245 /nfs/dbraw/zinc/74/22/45/344742245.db2.gz BDUINTVHMWQDMM-YGRLFVJLSA-N 2 2 281.331 2.293 20 5 CEBDLP CCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591580556 345266910 /nfs/dbraw/zinc/26/69/10/345266910.db2.gz AACRBPYGADDXMP-GXFFZTMASA-N 2 2 251.330 2.373 20 5 CEBDLP C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593733301 345529799 /nfs/dbraw/zinc/52/97/99/345529799.db2.gz LENPBAYCYYOGAB-RISCZKNCSA-N 2 2 293.367 2.250 20 5 CEBDLP C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593733301 345529802 /nfs/dbraw/zinc/52/98/02/345529802.db2.gz LENPBAYCYYOGAB-RISCZKNCSA-N 2 2 293.367 2.250 20 5 CEBDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000596652819 346072088 /nfs/dbraw/zinc/07/20/88/346072088.db2.gz IKFZRAZGWCENHN-GHMZBOCLSA-N 2 2 251.330 2.162 20 5 CEBDLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596655721 346073302 /nfs/dbraw/zinc/07/33/02/346073302.db2.gz XSOCIKHYEOKCBY-GWCFXTLKSA-N 2 2 251.330 2.243 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600715486 346676742 /nfs/dbraw/zinc/67/67/42/346676742.db2.gz YWRDGGOMNNTSMB-NTZNESFSSA-N 2 2 263.341 2.304 20 5 CEBDLP C[N@@H+]1CCC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000608836140 347622314 /nfs/dbraw/zinc/62/23/14/347622314.db2.gz SBZLAYQSWKKYQX-ZBKLQPJUSA-N 2 2 275.352 2.292 20 5 CEBDLP C[N@H+]1CCC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000608836140 347622315 /nfs/dbraw/zinc/62/23/15/347622315.db2.gz SBZLAYQSWKKYQX-ZBKLQPJUSA-N 2 2 275.352 2.292 20 5 CEBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000070148842 363036813 /nfs/dbraw/zinc/03/68/13/363036813.db2.gz ZYRFWNRMHFNBJU-NSHDSACASA-N 2 2 269.370 2.360 20 5 CEBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000070148842 363036819 /nfs/dbraw/zinc/03/68/19/363036819.db2.gz ZYRFWNRMHFNBJU-NSHDSACASA-N 2 2 269.370 2.360 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000101593178 364565308 /nfs/dbraw/zinc/56/53/08/364565308.db2.gz QWQORTSNXLVUHI-UONOGXRCSA-N 2 2 275.352 2.311 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000101593178 364565313 /nfs/dbraw/zinc/56/53/13/364565313.db2.gz QWQORTSNXLVUHI-UONOGXRCSA-N 2 2 275.352 2.311 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261703324 371707329 /nfs/dbraw/zinc/70/73/29/371707329.db2.gz IQZDYAYORROQRM-SWLSCSKDSA-N 2 2 275.352 2.341 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261703324 371707333 /nfs/dbraw/zinc/70/73/33/371707333.db2.gz IQZDYAYORROQRM-SWLSCSKDSA-N 2 2 275.352 2.341 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261637613 371685969 /nfs/dbraw/zinc/68/59/69/371685969.db2.gz CCQLLGDSRIRWGR-KBPBESRZSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261637613 371685976 /nfs/dbraw/zinc/68/59/76/371685976.db2.gz CCQLLGDSRIRWGR-KBPBESRZSA-N 2 2 275.352 2.087 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644122 371690073 /nfs/dbraw/zinc/69/00/73/371690073.db2.gz CQEOPOHMBBPQQP-MNOVXSKESA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644122 371690080 /nfs/dbraw/zinc/69/00/80/371690080.db2.gz CQEOPOHMBBPQQP-MNOVXSKESA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884854 377460756 /nfs/dbraw/zinc/46/07/56/377460756.db2.gz JOSUVDBDQMJZDI-AAEUAGOBSA-N 2 2 286.335 2.457 20 5 CEBDLP Cn1c[nH+]c(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000313268230 249392340 /nfs/dbraw/zinc/39/23/40/249392340.db2.gz VUEDEKJYIHVKEB-UHFFFAOYSA-N 2 2 294.742 2.314 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422719941 394739474 /nfs/dbraw/zinc/73/94/74/394739474.db2.gz RQSAXAINHPDBSI-KBPBESRZSA-N 2 2 293.367 2.353 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415059199 394868606 /nfs/dbraw/zinc/86/86/06/394868606.db2.gz XKROZYUYMBUHFA-CYBMUJFWSA-N 2 2 265.357 2.366 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420366487 395354342 /nfs/dbraw/zinc/35/43/42/395354342.db2.gz RFFZYQQIDCGPNI-AWEZNQCLSA-N 2 2 293.367 2.081 20 5 CEBDLP C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000430565461 271391539 /nfs/dbraw/zinc/39/15/39/271391539.db2.gz AHHTYDABITUMBE-IUODEOHRSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000430565461 271391541 /nfs/dbraw/zinc/39/15/41/271391541.db2.gz AHHTYDABITUMBE-IUODEOHRSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610532 281269097 /nfs/dbraw/zinc/26/90/97/281269097.db2.gz LBRZXHIVYFWDOX-WFASDCNBSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610532 281269101 /nfs/dbraw/zinc/26/91/01/281269101.db2.gz LBRZXHIVYFWDOX-WFASDCNBSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610529 281269218 /nfs/dbraw/zinc/26/92/18/281269218.db2.gz LBRZXHIVYFWDOX-DOMZBBRYSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610529 281269220 /nfs/dbraw/zinc/26/92/20/281269220.db2.gz LBRZXHIVYFWDOX-DOMZBBRYSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000049554406 524476431 /nfs/dbraw/zinc/47/64/31/524476431.db2.gz YVDRJXHJSLDGSO-VIFPVBQESA-N 2 2 257.359 2.086 20 5 CEBDLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349926 527887995 /nfs/dbraw/zinc/88/79/95/527887995.db2.gz UDMYXQGNYPLAPY-OCCSQVGLSA-N 2 2 277.368 2.210 20 5 CEBDLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349926 527888000 /nfs/dbraw/zinc/88/80/00/527888000.db2.gz UDMYXQGNYPLAPY-OCCSQVGLSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902428507 634649423 /nfs/dbraw/zinc/64/94/23/634649423.db2.gz DSJASCHUDAHXTI-SCRDCRAPSA-N 2 2 277.368 2.286 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000925826121 628905809 /nfs/dbraw/zinc/90/58/09/628905809.db2.gz LZAVDKMQHARWRZ-OUCADQQQSA-N 2 2 293.367 2.012 20 5 CEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975032 629407513 /nfs/dbraw/zinc/40/75/13/629407513.db2.gz QQGBQGGSOBPHFD-ONGXEEELSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975032 629407514 /nfs/dbraw/zinc/40/75/14/629407514.db2.gz QQGBQGGSOBPHFD-ONGXEEELSA-N 2 2 283.759 2.417 20 5 CEBDLP Cc1c(C[N@@H+]2CC[NH2+]CCC2(C)C)cccc1[N+](=O)[O-] ZINC000712590013 814754491 /nfs/dbraw/zinc/75/44/91/814754491.db2.gz YTAHKSUIPVIOJL-UHFFFAOYSA-N 2 2 277.368 2.477 20 5 CEBDLP Cc1c(C[N@H+]2CC[NH2+]CCC2(C)C)cccc1[N+](=O)[O-] ZINC000712590013 814754499 /nfs/dbraw/zinc/75/44/99/814754499.db2.gz YTAHKSUIPVIOJL-UHFFFAOYSA-N 2 2 277.368 2.477 20 5 CEBDLP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000712576091 814767938 /nfs/dbraw/zinc/76/79/38/814767938.db2.gz GARVQEWIHFLFJR-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000712576091 814767940 /nfs/dbraw/zinc/76/79/40/814767940.db2.gz GARVQEWIHFLFJR-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP CC(C)[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169054307 811358854 /nfs/dbraw/zinc/35/88/54/811358854.db2.gz LLIVJFWEGPSBHL-ZFWWWQNUSA-N 2 2 283.416 2.236 20 5 CEBDLP CC(C)[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169054307 811358862 /nfs/dbraw/zinc/35/88/62/811358862.db2.gz LLIVJFWEGPSBHL-ZFWWWQNUSA-N 2 2 283.416 2.236 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1CC[NH3+] ZINC001173215141 815623454 /nfs/dbraw/zinc/62/34/54/815623454.db2.gz SYLNLBKRLDWWPB-LLVKDONJSA-N 2 2 274.324 2.096 20 5 CEBDLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217308 815624852 /nfs/dbraw/zinc/62/48/52/815624852.db2.gz SJGIWHFVMALHFR-ZDUSSCGKSA-N 2 2 279.384 2.457 20 5 CEBDLP C[NH2+]CCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000124945011 187162686 /nfs/dbraw/zinc/16/26/86/187162686.db2.gz HXDDUPKFXJLJHJ-UHFFFAOYSA-N 2 2 271.748 2.290 20 5 CEBDLP C[NH2+]CCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000124945011 187162687 /nfs/dbraw/zinc/16/26/87/187162687.db2.gz HXDDUPKFXJLJHJ-UHFFFAOYSA-N 2 2 271.748 2.290 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+]CCCCn2cc[nH+]c2)cs1 ZINC000045106384 343480776 /nfs/dbraw/zinc/48/07/76/343480776.db2.gz TZXUQESSYIBXSW-UHFFFAOYSA-N 2 2 280.353 2.423 20 5 CEBDLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596655724 346073687 /nfs/dbraw/zinc/07/36/87/346073687.db2.gz XSOCIKHYEOKCBY-ZWNOBZJWSA-N 2 2 251.330 2.243 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598680429 346399541 /nfs/dbraw/zinc/39/95/41/346399541.db2.gz BQLZEUPGIVIGGS-OSAQELSMSA-N 2 2 275.352 2.469 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598680429 346399544 /nfs/dbraw/zinc/39/95/44/346399544.db2.gz BQLZEUPGIVIGGS-OSAQELSMSA-N 2 2 275.352 2.469 20 5 CEBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000598717682 346407146 /nfs/dbraw/zinc/40/71/46/346407146.db2.gz HOIRUVIWAIUHEM-CXFYGJIZSA-N 2 2 287.363 2.421 20 5 CEBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000598717682 346407148 /nfs/dbraw/zinc/40/71/48/346407148.db2.gz HOIRUVIWAIUHEM-CXFYGJIZSA-N 2 2 287.363 2.421 20 5 CEBDLP C[NH+](C)CC1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599085826 346457884 /nfs/dbraw/zinc/45/78/84/346457884.db2.gz FYYVYVWGTXCREN-UHFFFAOYSA-N 2 2 286.335 2.141 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600677825 346672007 /nfs/dbraw/zinc/67/20/07/346672007.db2.gz BMOHPXZDTOHVKS-CQSZACIVSA-N 2 2 275.352 2.277 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000336838594 365910844 /nfs/dbraw/zinc/91/08/44/365910844.db2.gz NHKSQBKNVQHLIE-CMPLNLGQSA-N 2 2 281.331 2.306 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000336838594 365910850 /nfs/dbraw/zinc/91/08/50/365910850.db2.gz NHKSQBKNVQHLIE-CMPLNLGQSA-N 2 2 281.331 2.306 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000124257408 187128733 /nfs/dbraw/zinc/12/87/33/187128733.db2.gz KCJRHIUFWNKHIG-UHFFFAOYSA-N 2 2 292.314 2.453 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000124257408 187128734 /nfs/dbraw/zinc/12/87/34/187128734.db2.gz KCJRHIUFWNKHIG-UHFFFAOYSA-N 2 2 292.314 2.453 20 5 CEBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743055 299216781 /nfs/dbraw/zinc/21/67/81/299216781.db2.gz FNJKJTHCRVLLFE-SMDDNHRTSA-N 2 2 286.335 2.457 20 5 CEBDLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000221151007 370236247 /nfs/dbraw/zinc/23/62/47/370236247.db2.gz TXAKKWWNEATMGG-CYBMUJFWSA-N 2 2 263.341 2.087 20 5 CEBDLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000221151007 370236251 /nfs/dbraw/zinc/23/62/51/370236251.db2.gz TXAKKWWNEATMGG-CYBMUJFWSA-N 2 2 263.341 2.087 20 5 CEBDLP Cc1c(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358303220 371003181 /nfs/dbraw/zinc/00/31/81/371003181.db2.gz AVDANHJGBWNWBP-XHDPSFHLSA-N 2 2 289.379 2.476 20 5 CEBDLP Cc1c(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358303220 371003186 /nfs/dbraw/zinc/00/31/86/371003186.db2.gz AVDANHJGBWNWBP-XHDPSFHLSA-N 2 2 289.379 2.476 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668005 371464544 /nfs/dbraw/zinc/46/45/44/371464544.db2.gz QWQORTSNXLVUHI-KBPBESRZSA-N 2 2 275.352 2.311 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668005 371464547 /nfs/dbraw/zinc/46/45/47/371464547.db2.gz QWQORTSNXLVUHI-KBPBESRZSA-N 2 2 275.352 2.311 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377719118 374934358 /nfs/dbraw/zinc/93/43/58/374934358.db2.gz GVYXUXOBEJKDDJ-LBPRGKRZSA-N 2 2 286.335 2.273 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377719118 374934366 /nfs/dbraw/zinc/93/43/66/374934366.db2.gz GVYXUXOBEJKDDJ-LBPRGKRZSA-N 2 2 286.335 2.273 20 5 CEBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238885 375284626 /nfs/dbraw/zinc/28/46/26/375284626.db2.gz DFYNFJXZPLFYLH-MWLCHTKSSA-N 2 2 267.304 2.046 20 5 CEBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238885 375284637 /nfs/dbraw/zinc/28/46/37/375284637.db2.gz DFYNFJXZPLFYLH-MWLCHTKSSA-N 2 2 267.304 2.046 20 5 CEBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414804646 375989904 /nfs/dbraw/zinc/98/99/04/375989904.db2.gz OSQKERSTPXLFHC-GFCCVEGCSA-N 2 2 269.732 2.075 20 5 CEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430966973 377579454 /nfs/dbraw/zinc/57/94/54/377579454.db2.gz QQBPWQZACKCCEL-GFCCVEGCSA-N 2 2 293.367 2.163 20 5 CEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430966973 377579462 /nfs/dbraw/zinc/57/94/62/377579462.db2.gz QQBPWQZACKCCEL-GFCCVEGCSA-N 2 2 293.367 2.163 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+](C)C ZINC000449321462 378201221 /nfs/dbraw/zinc/20/12/21/378201221.db2.gz SQLTWUHPAUSHGF-RYUDHWBXSA-N 2 2 265.357 2.066 20 5 CEBDLP CC(C)([NH3+])C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000346967441 218071745 /nfs/dbraw/zinc/07/17/45/218071745.db2.gz CWMAHLJRXJEXNC-UHFFFAOYSA-N 2 2 293.367 2.175 20 5 CEBDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414830861 394758963 /nfs/dbraw/zinc/75/89/63/394758963.db2.gz BRVWGFXUWKLUHX-JTQLQIEISA-N 2 2 257.359 2.119 20 5 CEBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)o2)c1 ZINC000415048580 394863928 /nfs/dbraw/zinc/86/39/28/394863928.db2.gz ZOKOHMKVAQHMME-FOLVSLTJSA-N 2 2 299.330 2.162 20 5 CEBDLP CC[C@@H]([NH3+])C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414980109 394835519 /nfs/dbraw/zinc/83/55/19/394835519.db2.gz OZRDPZWMZWMYBT-SECBINFHSA-N 2 2 289.282 2.023 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423361769 394901429 /nfs/dbraw/zinc/90/14/29/394901429.db2.gz MOHAEIDKOZVIFR-COPLHBTASA-N 2 2 263.341 2.243 20 5 CEBDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000430573396 271391587 /nfs/dbraw/zinc/39/15/87/271391587.db2.gz QUWUFUJLMFFYIU-ZDUSSCGKSA-N 2 2 251.330 2.058 20 5 CEBDLP CC[N@H+](CCC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000265279347 276123143 /nfs/dbraw/zinc/12/31/43/276123143.db2.gz WWQGSCAAECIJCO-UHFFFAOYSA-N 2 2 265.357 2.368 20 5 CEBDLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000265279347 276123144 /nfs/dbraw/zinc/12/31/44/276123144.db2.gz WWQGSCAAECIJCO-UHFFFAOYSA-N 2 2 265.357 2.368 20 5 CEBDLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423466258 281049199 /nfs/dbraw/zinc/04/91/99/281049199.db2.gz NEECBXRMXOKXJY-WDEREUQCSA-N 2 2 251.330 2.291 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661652 290206329 /nfs/dbraw/zinc/20/63/29/290206329.db2.gz MVYYCFUMEBXVKS-GFCCVEGCSA-N 2 2 288.351 2.092 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000516173659 313082831 /nfs/dbraw/zinc/08/28/31/313082831.db2.gz VFTHZOXZZRDKNO-GFCCVEGCSA-N 2 2 275.352 2.484 20 5 CEBDLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000903845550 635302326 /nfs/dbraw/zinc/30/23/26/635302326.db2.gz IPCMRWMWVATJCE-BIMULSAOSA-N 2 2 279.315 2.046 20 5 CEBDLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000903845550 635302332 /nfs/dbraw/zinc/30/23/32/635302332.db2.gz IPCMRWMWVATJCE-BIMULSAOSA-N 2 2 279.315 2.046 20 5 CEBDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978624 811307919 /nfs/dbraw/zinc/30/79/19/811307919.db2.gz TUWLEWOKNBWMBQ-ZNMIVQPWSA-N 2 2 283.416 2.142 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000449103141 282101055 /nfs/dbraw/zinc/10/10/55/282101055.db2.gz OTWPRVJYBMPAMC-TZMCWYRMSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1C ZINC000449103141 282101057 /nfs/dbraw/zinc/10/10/57/282101057.db2.gz OTWPRVJYBMPAMC-TZMCWYRMSA-N 2 2 277.368 2.210 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC000601334458 346823812 /nfs/dbraw/zinc/82/38/12/346823812.db2.gz KUDNFLKUNQBCDN-IAQYHMDHSA-N 2 2 293.342 2.308 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC000601334458 346823815 /nfs/dbraw/zinc/82/38/15/346823815.db2.gz KUDNFLKUNQBCDN-IAQYHMDHSA-N 2 2 293.342 2.308 20 5 CEBDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000041063985 362015731 /nfs/dbraw/zinc/01/57/31/362015731.db2.gz JCWJMQKTHKPWNC-NSHDSACASA-N 2 2 260.297 2.142 20 5 CEBDLP C[C@H]1CCC[N@H+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602515644 347063872 /nfs/dbraw/zinc/06/38/72/347063872.db2.gz RCXCOAWLMGUOOC-AWEZNQCLSA-N 2 2 291.395 2.459 20 5 CEBDLP C[C@H]1CCC[N@@H+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602515644 347063873 /nfs/dbraw/zinc/06/38/73/347063873.db2.gz RCXCOAWLMGUOOC-AWEZNQCLSA-N 2 2 291.395 2.459 20 5 CEBDLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000591579931 345266844 /nfs/dbraw/zinc/26/68/44/345266844.db2.gz AESSFODKHKDOAB-WOPDTQHZSA-N 2 2 281.331 2.254 20 5 CEBDLP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592431577 345353046 /nfs/dbraw/zinc/35/30/46/345353046.db2.gz KTPFHAJUWAIGSQ-UHFFFAOYSA-N 2 2 263.341 2.216 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594924647 345704111 /nfs/dbraw/zinc/70/41/11/345704111.db2.gz KKSVEFXEPOQCEM-UHFFFAOYSA-N 2 2 272.308 2.027 20 5 CEBDLP Cc1c([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cccc1[N+](=O)[O-] ZINC000596652843 346072096 /nfs/dbraw/zinc/07/20/96/346072096.db2.gz JFQIOCGPZNGORM-BZUNDVKYSA-N 2 2 275.352 2.306 20 5 CEBDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000596652820 346072321 /nfs/dbraw/zinc/07/23/21/346072321.db2.gz IKFZRAZGWCENHN-MNOVXSKESA-N 2 2 251.330 2.162 20 5 CEBDLP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1C[NH+](C)C1 ZINC000597202666 346147762 /nfs/dbraw/zinc/14/77/62/346147762.db2.gz HTDOXUYLAUFMGH-ALCCZGGFSA-N 2 2 275.352 2.101 20 5 CEBDLP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1C[NH+](C)C1 ZINC000597202666 346147764 /nfs/dbraw/zinc/14/77/64/346147764.db2.gz HTDOXUYLAUFMGH-ALCCZGGFSA-N 2 2 275.352 2.101 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357125717 233010758 /nfs/dbraw/zinc/01/07/58/233010758.db2.gz WBSGLFBLFIJPKC-UJOCRUBTSA-N 2 2 287.363 2.149 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357125717 233010761 /nfs/dbraw/zinc/01/07/61/233010761.db2.gz WBSGLFBLFIJPKC-UJOCRUBTSA-N 2 2 287.363 2.149 20 5 CEBDLP Cc1c(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000070177627 363048868 /nfs/dbraw/zinc/04/88/68/363048868.db2.gz NLKMYQRMCPCUBS-NHYWBVRUSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1c(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000070177627 363048871 /nfs/dbraw/zinc/04/88/71/363048871.db2.gz NLKMYQRMCPCUBS-NHYWBVRUSA-N 2 2 277.368 2.462 20 5 CEBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504267 366059913 /nfs/dbraw/zinc/05/99/13/366059913.db2.gz WVEPGYFLCIRLGH-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504267 366059918 /nfs/dbraw/zinc/05/99/18/366059918.db2.gz WVEPGYFLCIRLGH-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000133830796 366260427 /nfs/dbraw/zinc/26/04/27/366260427.db2.gz NKHHACYCKQRJKB-DYEKYZERSA-N 2 2 293.367 2.012 20 5 CEBDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206403 370950846 /nfs/dbraw/zinc/95/08/46/370950846.db2.gz SNAOZGIMVTTWSQ-CZUORRHYSA-N 2 2 291.395 2.457 20 5 CEBDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206403 370950849 /nfs/dbraw/zinc/95/08/49/370950849.db2.gz SNAOZGIMVTTWSQ-CZUORRHYSA-N 2 2 291.395 2.457 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017026 376931820 /nfs/dbraw/zinc/93/18/20/376931820.db2.gz NUJQJKYBSOASLB-MDZLAQPJSA-N 2 2 263.341 2.386 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423275905 377199858 /nfs/dbraw/zinc/19/98/58/377199858.db2.gz MHOJXZNNRIHFFQ-GXFFZTMASA-N 2 2 293.367 2.381 20 5 CEBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000565724708 377690608 /nfs/dbraw/zinc/69/06/08/377690608.db2.gz QZJNYTKORCJFBF-LJXYTEIVSA-N 2 2 275.352 2.420 20 5 CEBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000565724708 377690612 /nfs/dbraw/zinc/69/06/12/377690612.db2.gz QZJNYTKORCJFBF-LJXYTEIVSA-N 2 2 275.352 2.420 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000346997891 218085751 /nfs/dbraw/zinc/08/57/51/218085751.db2.gz DPTYVBSKZWOJMQ-RISCZKNCSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000346997891 218085754 /nfs/dbraw/zinc/08/57/54/218085754.db2.gz DPTYVBSKZWOJMQ-RISCZKNCSA-N 2 2 293.367 2.163 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415070583 394874845 /nfs/dbraw/zinc/87/48/45/394874845.db2.gz RDHOTSRTMYVMPX-ZDUSSCGKSA-N 2 2 263.341 2.135 20 5 CEBDLP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)[NH3+] ZINC000442659965 395389646 /nfs/dbraw/zinc/38/96/46/395389646.db2.gz CHFKNDPBEROIOI-NSHDSACASA-N 2 2 251.330 2.152 20 5 CEBDLP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)[NH3+] ZINC000442659965 395389650 /nfs/dbraw/zinc/38/96/50/395389650.db2.gz CHFKNDPBEROIOI-NSHDSACASA-N 2 2 251.330 2.152 20 5 CEBDLP C[NH2+]CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420356211 395342494 /nfs/dbraw/zinc/34/24/94/395342494.db2.gz GDPDGOPXXOFWFC-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP C[NH2+]CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420356211 395342501 /nfs/dbraw/zinc/34/25/01/395342501.db2.gz GDPDGOPXXOFWFC-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000420355529 395342663 /nfs/dbraw/zinc/34/26/63/395342663.db2.gz BYZDODPAWUKGOX-SUNKGSAMSA-N 2 2 263.341 2.071 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420356799 395344383 /nfs/dbraw/zinc/34/43/83/395344383.db2.gz GMZORDKRQNMWPZ-ZDUSSCGKSA-N 2 2 281.356 2.066 20 5 CEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170828 153294356 /nfs/dbraw/zinc/29/43/56/153294356.db2.gz FFXIKASICOUXJW-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170828 153294360 /nfs/dbraw/zinc/29/43/60/153294360.db2.gz FFXIKASICOUXJW-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000400430396 287052032 /nfs/dbraw/zinc/05/20/32/287052032.db2.gz KWSMXZFTVSEVRA-WDMOLILDSA-N 2 2 263.341 2.386 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000040601363 174351602 /nfs/dbraw/zinc/35/16/02/174351602.db2.gz RRXVUVHDJWBVOK-CYBMUJFWSA-N 2 2 277.368 2.335 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000040601363 174351604 /nfs/dbraw/zinc/35/16/04/174351604.db2.gz RRXVUVHDJWBVOK-CYBMUJFWSA-N 2 2 277.368 2.335 20 5 CEBDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000430601416 271397684 /nfs/dbraw/zinc/39/76/84/271397684.db2.gz UCCBBIDKKWPDMG-NSHDSACASA-N 2 2 257.359 2.119 20 5 CEBDLP CC(C)c1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347117357 276052605 /nfs/dbraw/zinc/05/26/05/276052605.db2.gz UKSKXHRBUDKANK-NSHDSACASA-N 2 2 265.357 2.497 20 5 CEBDLP CC(C)c1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347117357 276052606 /nfs/dbraw/zinc/05/26/06/276052606.db2.gz UKSKXHRBUDKANK-NSHDSACASA-N 2 2 265.357 2.497 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423331101 281024466 /nfs/dbraw/zinc/02/44/66/281024466.db2.gz UQXVREGBBHMCQN-GWCFXTLKSA-N 2 2 263.341 2.291 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000866666972 647861856 /nfs/dbraw/zinc/86/18/56/647861856.db2.gz YDPMMBYXLKGNNV-YWPYICTPSA-N 2 2 277.368 2.379 20 5 CEBDLP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866717525 647880470 /nfs/dbraw/zinc/88/04/70/647880470.db2.gz HIGYTGXTARTYJR-HUUCEWRRSA-N 2 2 289.379 2.477 20 5 CEBDLP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866717525 647880473 /nfs/dbraw/zinc/88/04/73/647880473.db2.gz HIGYTGXTARTYJR-HUUCEWRRSA-N 2 2 289.379 2.477 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000873297233 649632392 /nfs/dbraw/zinc/63/23/92/649632392.db2.gz UTCWBKZOZLFFBF-XQQFMLRXSA-N 2 2 293.367 2.012 20 5 CEBDLP [NH2+]=C(Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)SCC[NH3+] ZINC001167915622 804716727 /nfs/dbraw/zinc/71/67/27/804716727.db2.gz VVZWBNRKXUMGBL-UHFFFAOYSA-N 2 2 279.325 2.115 20 5 CEBDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978622 811308500 /nfs/dbraw/zinc/30/85/00/811308500.db2.gz TUWLEWOKNBWMBQ-RRFJBIMHSA-N 2 2 283.416 2.142 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cc[nH+]c1 ZINC001173213090 815636718 /nfs/dbraw/zinc/63/67/18/815636718.db2.gz DQFSNZAGTQIHCI-GFCCVEGCSA-N 2 2 274.324 2.012 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001173214478 815637256 /nfs/dbraw/zinc/63/72/56/815637256.db2.gz NVBGWLQEORJFPL-DOMZBBRYSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001173214478 815637259 /nfs/dbraw/zinc/63/72/59/815637259.db2.gz NVBGWLQEORJFPL-DOMZBBRYSA-N 2 2 277.368 2.210 20 5 CEBDLP Cc1c([C@H](C)[NH2+]CC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000591577209 345265450 /nfs/dbraw/zinc/26/54/50/345265450.db2.gz BGRHEJPNLLDXJN-NSHDSACASA-N 2 2 263.341 2.306 20 5 CEBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727999 345528585 /nfs/dbraw/zinc/52/85/85/345528585.db2.gz USIWSRKEPHMTHN-GFCCVEGCSA-N 2 2 279.340 2.004 20 5 CEBDLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727999 345528586 /nfs/dbraw/zinc/52/85/86/345528586.db2.gz USIWSRKEPHMTHN-GFCCVEGCSA-N 2 2 279.340 2.004 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594927169 345705175 /nfs/dbraw/zinc/70/51/75/345705175.db2.gz YTTMUBKKISVCSL-UHFFFAOYSA-N 2 2 272.308 2.027 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)[NH3+] ZINC000595899207 345910428 /nfs/dbraw/zinc/91/04/28/345910428.db2.gz QJUVQIKXCHVGAC-SNVBAGLBSA-N 2 2 251.330 2.325 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)[NH3+] ZINC000595899207 345910432 /nfs/dbraw/zinc/91/04/32/345910432.db2.gz QJUVQIKXCHVGAC-SNVBAGLBSA-N 2 2 251.330 2.325 20 5 CEBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000600746286 346683712 /nfs/dbraw/zinc/68/37/12/346683712.db2.gz WCNKZEOECOSXSQ-GASCZTMLSA-N 2 2 275.352 2.026 20 5 CEBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000600746286 346683714 /nfs/dbraw/zinc/68/37/14/346683714.db2.gz WCNKZEOECOSXSQ-GASCZTMLSA-N 2 2 275.352 2.026 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000336838596 365910468 /nfs/dbraw/zinc/91/04/68/365910468.db2.gz NHKSQBKNVQHLIE-JQWIXIFHSA-N 2 2 281.331 2.306 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000336838596 365910470 /nfs/dbraw/zinc/91/04/70/365910470.db2.gz NHKSQBKNVQHLIE-JQWIXIFHSA-N 2 2 281.331 2.306 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720466 180030115 /nfs/dbraw/zinc/03/01/15/180030115.db2.gz XUFGGAHQBXCYFY-GXSJLCMTSA-N 2 2 269.370 2.229 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000090720466 180030118 /nfs/dbraw/zinc/03/01/18/180030118.db2.gz XUFGGAHQBXCYFY-GXSJLCMTSA-N 2 2 269.370 2.229 20 5 CEBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858046 363170541 /nfs/dbraw/zinc/17/05/41/363170541.db2.gz RIDYDBWRJZUIFH-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858046 363170548 /nfs/dbraw/zinc/17/05/48/363170548.db2.gz RIDYDBWRJZUIFH-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858046 363170554 /nfs/dbraw/zinc/17/05/54/363170554.db2.gz RIDYDBWRJZUIFH-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858046 363170560 /nfs/dbraw/zinc/17/05/60/363170560.db2.gz RIDYDBWRJZUIFH-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215692 367224200 /nfs/dbraw/zinc/22/42/00/367224200.db2.gz UNMPYLKTFWLCNF-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215692 367224206 /nfs/dbraw/zinc/22/42/06/367224206.db2.gz UNMPYLKTFWLCNF-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261805213 371738369 /nfs/dbraw/zinc/73/83/69/371738369.db2.gz RUAUSFKZMWAXCF-LLVKDONJSA-N 2 2 281.331 2.165 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261805213 371738380 /nfs/dbraw/zinc/73/83/80/371738380.db2.gz RUAUSFKZMWAXCF-LLVKDONJSA-N 2 2 281.331 2.165 20 5 CEBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)C[NH3+] ZINC000380329056 375161820 /nfs/dbraw/zinc/16/18/20/375161820.db2.gz QTXQOPCRNLNDSX-QMTHXVAHSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)C[NH3+] ZINC000380329056 375161822 /nfs/dbraw/zinc/16/18/22/375161822.db2.gz QTXQOPCRNLNDSX-QMTHXVAHSA-N 2 2 281.331 2.151 20 5 CEBDLP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000384799683 375217213 /nfs/dbraw/zinc/21/72/13/375217213.db2.gz XPISYNZCJJAASC-UHFFFAOYSA-N 2 2 269.732 2.170 20 5 CEBDLP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000384799683 375217219 /nfs/dbraw/zinc/21/72/19/375217219.db2.gz XPISYNZCJJAASC-UHFFFAOYSA-N 2 2 269.732 2.170 20 5 CEBDLP CC(C)C[C@H]([NH3+])C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000414769490 375958633 /nfs/dbraw/zinc/95/86/33/375958633.db2.gz WQRFZLJRFUQSCS-AWEZNQCLSA-N 2 2 279.384 2.443 20 5 CEBDLP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000414769490 375958638 /nfs/dbraw/zinc/95/86/38/375958638.db2.gz WQRFZLJRFUQSCS-AWEZNQCLSA-N 2 2 279.384 2.443 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017031 376932291 /nfs/dbraw/zinc/93/22/91/376932291.db2.gz NUJQJKYBSOASLB-NTZNESFSSA-N 2 2 263.341 2.386 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCC2 ZINC000423245882 377165695 /nfs/dbraw/zinc/16/56/95/377165695.db2.gz YXGLDKCDBUFBFR-DOMZBBRYSA-N 2 2 275.352 2.314 20 5 CEBDLP CCC[NH2+]CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423316876 377245507 /nfs/dbraw/zinc/24/55/07/377245507.db2.gz YJEFDNVHCOBVTA-GFCCVEGCSA-N 2 2 265.357 2.115 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000347025464 218096879 /nfs/dbraw/zinc/09/68/79/218096879.db2.gz SICFDECVVJZDPW-CQSZACIVSA-N 2 2 263.341 2.216 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000347025464 218096881 /nfs/dbraw/zinc/09/68/81/218096881.db2.gz SICFDECVVJZDPW-CQSZACIVSA-N 2 2 263.341 2.216 20 5 CEBDLP C[NH2+]CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414824138 394753101 /nfs/dbraw/zinc/75/31/01/394753101.db2.gz QBOBMDYHDFMQQW-UHFFFAOYSA-N 2 2 251.330 2.027 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415052400 394865757 /nfs/dbraw/zinc/86/57/57/394865757.db2.gz LAXWDHSRZYCEHK-ZDUSSCGKSA-N 2 2 265.357 2.366 20 5 CEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414961659 394827498 /nfs/dbraw/zinc/82/74/98/394827498.db2.gz BPPXYCBSXVJYAN-SNVBAGLBSA-N 2 2 269.370 2.134 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423366842 394902719 /nfs/dbraw/zinc/90/27/19/394902719.db2.gz QRAYLXLUCPDGMQ-BZPMIXESSA-N 2 2 277.368 2.113 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000423480005 394929038 /nfs/dbraw/zinc/92/90/38/394929038.db2.gz VXBSHJNYJOXZMU-JQWIXIFHSA-N 2 2 281.356 2.381 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427110258 395092215 /nfs/dbraw/zinc/09/22/15/395092215.db2.gz KROUDXPRTWNKPP-KJCWAXEUSA-N 2 2 287.363 2.292 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427110258 395092218 /nfs/dbraw/zinc/09/22/18/395092218.db2.gz KROUDXPRTWNKPP-KJCWAXEUSA-N 2 2 287.363 2.292 20 5 CEBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000420355531 395342720 /nfs/dbraw/zinc/34/27/20/395342720.db2.gz BYZDODPAWUKGOX-UHIISALHSA-N 2 2 263.341 2.071 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000040591679 174346983 /nfs/dbraw/zinc/34/69/83/174346983.db2.gz LNBUIYMXWAUZLU-GFCCVEGCSA-N 2 2 263.341 2.026 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000040591679 174346984 /nfs/dbraw/zinc/34/69/84/174346984.db2.gz LNBUIYMXWAUZLU-GFCCVEGCSA-N 2 2 263.341 2.026 20 5 CEBDLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423433984 281040113 /nfs/dbraw/zinc/04/01/13/281040113.db2.gz CSKCJRXIGLUKMZ-DCAQKATOSA-N 2 2 251.330 2.290 20 5 CEBDLP Cc1c([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423433980 281040179 /nfs/dbraw/zinc/04/01/79/281040179.db2.gz CSKCJRXIGLUKMZ-AXFHLTTASA-N 2 2 251.330 2.290 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000539482579 298248568 /nfs/dbraw/zinc/24/85/68/298248568.db2.gz RAGIGGITWHGETD-UHFFFAOYSA-N 2 2 286.335 2.240 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000539482579 298248571 /nfs/dbraw/zinc/24/85/71/298248571.db2.gz RAGIGGITWHGETD-UHFFFAOYSA-N 2 2 286.335 2.240 20 5 CEBDLP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902428505 634649000 /nfs/dbraw/zinc/64/90/00/634649000.db2.gz DSJASCHUDAHXTI-BZPMIXESSA-N 2 2 277.368 2.286 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230164 649601248 /nfs/dbraw/zinc/60/12/48/649601248.db2.gz NBCIVWMFEXMMAM-CEFRJJNVSA-N 2 2 287.363 2.482 20 5 CEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001173213686 815637053 /nfs/dbraw/zinc/63/70/53/815637053.db2.gz JUKWPAAKHAXXPD-RYUDHWBXSA-N 2 2 265.357 2.066 20 5 CEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cc[nH+]c1 ZINC001173213095 815637424 /nfs/dbraw/zinc/63/74/24/815637424.db2.gz DQFSNZAGTQIHCI-LBPRGKRZSA-N 2 2 274.324 2.012 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000601325008 346821016 /nfs/dbraw/zinc/82/10/16/346821016.db2.gz WBARULGZZBQINE-ZDUSSCGKSA-N 2 2 293.367 2.177 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000601325008 346821021 /nfs/dbraw/zinc/82/10/21/346821021.db2.gz WBARULGZZBQINE-ZDUSSCGKSA-N 2 2 293.367 2.177 20 5 CEBDLP CC1([NH3+])CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000592485267 345359621 /nfs/dbraw/zinc/35/96/21/345359621.db2.gz VKLZYALHEUKQQZ-UHFFFAOYSA-N 2 2 290.323 2.049 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000596653459 346072688 /nfs/dbraw/zinc/07/26/88/346072688.db2.gz KODVUSUNJJXMOT-BZUNDVKYSA-N 2 2 275.352 2.306 20 5 CEBDLP Cc1[nH+]cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000597131837 346132580 /nfs/dbraw/zinc/13/25/80/346132580.db2.gz XIQXQURMLUHQTB-UHFFFAOYSA-N 2 2 288.351 2.311 20 5 CEBDLP Cc1[nH+]cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000597131837 346132582 /nfs/dbraw/zinc/13/25/82/346132582.db2.gz XIQXQURMLUHQTB-UHFFFAOYSA-N 2 2 288.351 2.311 20 5 CEBDLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598719189 346407012 /nfs/dbraw/zinc/40/70/12/346407012.db2.gz LWDKAGRQGUKSHS-HIFRSBDPSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598719189 346407014 /nfs/dbraw/zinc/40/70/14/346407014.db2.gz LWDKAGRQGUKSHS-HIFRSBDPSA-N 2 2 275.352 2.216 20 5 CEBDLP CC[N@H+](CC[NH3+])[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000600720909 346678135 /nfs/dbraw/zinc/67/81/35/346678135.db2.gz RNTVTTRTPXOQKX-NSHDSACASA-N 2 2 251.330 2.245 20 5 CEBDLP CC[N@@H+](CC[NH3+])[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000600720909 346678137 /nfs/dbraw/zinc/67/81/37/346678137.db2.gz RNTVTTRTPXOQKX-NSHDSACASA-N 2 2 251.330 2.245 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000123270975 187081951 /nfs/dbraw/zinc/08/19/51/187081951.db2.gz YTNBQSGPPSRBKB-TZMCWYRMSA-N 2 2 289.379 2.352 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000123270975 187081952 /nfs/dbraw/zinc/08/19/52/187081952.db2.gz YTNBQSGPPSRBKB-TZMCWYRMSA-N 2 2 289.379 2.352 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000494403589 290971978 /nfs/dbraw/zinc/97/19/78/290971978.db2.gz IDCFUTWONZISGD-NSHDSACASA-N 2 2 290.298 2.035 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215840 367223907 /nfs/dbraw/zinc/22/39/07/367223907.db2.gz UNMPYLKTFWLCNF-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215840 367223912 /nfs/dbraw/zinc/22/39/12/367223912.db2.gz UNMPYLKTFWLCNF-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261703320 371707383 /nfs/dbraw/zinc/70/73/83/371707383.db2.gz IQZDYAYORROQRM-DOMZBBRYSA-N 2 2 275.352 2.341 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261703320 371707388 /nfs/dbraw/zinc/70/73/88/371707388.db2.gz IQZDYAYORROQRM-DOMZBBRYSA-N 2 2 275.352 2.341 20 5 CEBDLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422940786 376869070 /nfs/dbraw/zinc/86/90/70/376869070.db2.gz JAKMRHZDZRBLEN-STQMWFEESA-N 2 2 263.341 2.344 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423232839 377150033 /nfs/dbraw/zinc/15/00/33/377150033.db2.gz ITHZGDDTBBZLLV-YPMHNXCESA-N 2 2 263.341 2.306 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000423286624 377215709 /nfs/dbraw/zinc/21/57/09/377215709.db2.gz HUAFNTZTMXAXBM-JTQLQIEISA-N 2 2 281.356 2.381 20 5 CEBDLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423278400 377204265 /nfs/dbraw/zinc/20/42/65/377204265.db2.gz PVQFFDSHPOEFOB-GXFFZTMASA-N 2 2 263.341 2.291 20 5 CEBDLP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000565219381 377613085 /nfs/dbraw/zinc/61/30/85/377613085.db2.gz UHIIDIQJLOFRIU-AWEZNQCLSA-N 2 2 286.335 2.148 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415065370 394872125 /nfs/dbraw/zinc/87/21/25/394872125.db2.gz FYERNJVQPVTETM-UHFFFAOYSA-N 2 2 293.367 2.225 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427123517 395093036 /nfs/dbraw/zinc/09/30/36/395093036.db2.gz XXTWFOPZQHBGFD-UKRRQHHQSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427123517 395093038 /nfs/dbraw/zinc/09/30/38/395093038.db2.gz XXTWFOPZQHBGFD-UKRRQHHQSA-N 2 2 275.352 2.087 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291792365 395160719 /nfs/dbraw/zinc/16/07/19/395160719.db2.gz WGKUEGLGVZPCPW-LBPRGKRZSA-N 2 2 295.383 2.281 20 5 CEBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000424334634 271046421 /nfs/dbraw/zinc/04/64/21/271046421.db2.gz NTJRXBPNPYNBIP-NXEZZACHSA-N 2 2 255.343 2.016 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430593404 271396426 /nfs/dbraw/zinc/39/64/26/271396426.db2.gz IZZAAYOOWRMEAN-CQSZACIVSA-N 2 2 281.356 2.066 20 5 CEBDLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423466256 281049045 /nfs/dbraw/zinc/04/90/45/281049045.db2.gz NEECBXRMXOKXJY-MNOVXSKESA-N 2 2 251.330 2.291 20 5 CEBDLP CC1(C)[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]2CCC[NH2+][C@@H]21 ZINC000925596123 628276909 /nfs/dbraw/zinc/27/69/09/628276909.db2.gz UPQXCFGRDHMHAE-SNPRPXQTSA-N 2 2 289.379 2.461 20 5 CEBDLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841064698 632383425 /nfs/dbraw/zinc/38/34/25/632383425.db2.gz TVDSJLSMUUCZGT-JOYOIKCWSA-N 2 2 283.759 2.336 20 5 CEBDLP CCO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000926961389 632388797 /nfs/dbraw/zinc/38/87/97/632388797.db2.gz IWKIELDFSNXLKN-SWLSCSKDSA-N 2 2 295.383 2.212 20 5 CEBDLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000903843987 635302637 /nfs/dbraw/zinc/30/26/37/635302637.db2.gz YZNDVVMGDSNJDA-GAFUQQFSSA-N 2 2 279.315 2.046 20 5 CEBDLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000903843987 635302640 /nfs/dbraw/zinc/30/26/40/635302640.db2.gz YZNDVVMGDSNJDA-GAFUQQFSSA-N 2 2 279.315 2.046 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000841050177 639633031 /nfs/dbraw/zinc/63/30/31/639633031.db2.gz YVZFBPNVVZTRAF-UHFFFAOYSA-N 2 2 269.732 2.219 20 5 CEBDLP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866717526 647880659 /nfs/dbraw/zinc/88/06/59/647880659.db2.gz HIGYTGXTARTYJR-LSDHHAIUSA-N 2 2 289.379 2.477 20 5 CEBDLP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866717526 647880664 /nfs/dbraw/zinc/88/06/64/647880664.db2.gz HIGYTGXTARTYJR-LSDHHAIUSA-N 2 2 289.379 2.477 20 5 CEBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000873297231 649632707 /nfs/dbraw/zinc/63/27/07/649632707.db2.gz UTCWBKZOZLFFBF-AVGNSLFASA-N 2 2 293.367 2.012 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703608038 809670706 /nfs/dbraw/zinc/67/07/06/809670706.db2.gz PKXUNMMBPRTVQQ-OSAQELSMSA-N 2 2 275.352 2.197 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703608038 809670708 /nfs/dbraw/zinc/67/07/08/809670708.db2.gz PKXUNMMBPRTVQQ-OSAQELSMSA-N 2 2 275.352 2.197 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054373 361807018 /nfs/dbraw/zinc/80/70/18/361807018.db2.gz IBORMSJGIIWXSP-UHFFFAOYSA-N 2 2 275.352 2.311 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000449222140 282147110 /nfs/dbraw/zinc/14/71/10/282147110.db2.gz VOGIPLZYPMZGLM-ZDUSSCGKSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000041063986 362016649 /nfs/dbraw/zinc/01/66/49/362016649.db2.gz JCWJMQKTHKPWNC-LLVKDONJSA-N 2 2 260.297 2.142 20 5 CEBDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527680 343679326 /nfs/dbraw/zinc/67/93/26/343679326.db2.gz MJSKWZJFYFRDCW-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527680 343679329 /nfs/dbraw/zinc/67/93/29/343679329.db2.gz MJSKWZJFYFRDCW-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527680 343679331 /nfs/dbraw/zinc/67/93/31/343679331.db2.gz MJSKWZJFYFRDCW-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527680 343679332 /nfs/dbraw/zinc/67/93/32/343679332.db2.gz MJSKWZJFYFRDCW-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[N@H+](CCC[NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123304495 344309599 /nfs/dbraw/zinc/30/95/99/344309599.db2.gz IZMPIXNEFGZHIR-UHFFFAOYSA-N 2 2 257.721 2.029 20 5 CEBDLP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123304495 344309602 /nfs/dbraw/zinc/30/96/02/344309602.db2.gz IZMPIXNEFGZHIR-UHFFFAOYSA-N 2 2 257.721 2.029 20 5 CEBDLP CCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591580561 345266897 /nfs/dbraw/zinc/26/68/97/345266897.db2.gz AACRBPYGADDXMP-ZWNOBZJWSA-N 2 2 251.330 2.373 20 5 CEBDLP C[NH+](C)CCC[N@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000596425190 346020284 /nfs/dbraw/zinc/02/02/84/346020284.db2.gz PDQXQOLPTZWSGO-UHFFFAOYSA-N 2 2 298.362 2.029 20 5 CEBDLP C[NH+](C)CCC[N@@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000596425190 346020288 /nfs/dbraw/zinc/02/02/88/346020288.db2.gz PDQXQOLPTZWSGO-UHFFFAOYSA-N 2 2 298.362 2.029 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598720328 346407402 /nfs/dbraw/zinc/40/74/02/346407402.db2.gz PZOYLIOUEGCANL-UKRRQHHQSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598720328 346407405 /nfs/dbraw/zinc/40/74/05/346407405.db2.gz PZOYLIOUEGCANL-UKRRQHHQSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598720329 346407489 /nfs/dbraw/zinc/40/74/89/346407489.db2.gz PZOYLIOUEGCANL-ZFWWWQNUSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598720329 346407491 /nfs/dbraw/zinc/40/74/91/346407491.db2.gz PZOYLIOUEGCANL-ZFWWWQNUSA-N 2 2 275.352 2.216 20 5 CEBDLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600710062 346675252 /nfs/dbraw/zinc/67/52/52/346675252.db2.gz NSVDVRMSKGNLCU-WZRBSPASSA-N 2 2 263.341 2.386 20 5 CEBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000600744143 346682611 /nfs/dbraw/zinc/68/26/11/346682611.db2.gz NYOUPDAPLQACRS-GASCZTMLSA-N 2 2 275.352 2.026 20 5 CEBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000600744143 346682615 /nfs/dbraw/zinc/68/26/15/346682615.db2.gz NYOUPDAPLQACRS-GASCZTMLSA-N 2 2 275.352 2.026 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357125714 233010469 /nfs/dbraw/zinc/01/04/69/233010469.db2.gz WBSGLFBLFIJPKC-OGCZOTBESA-N 2 2 287.363 2.149 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357125714 233010472 /nfs/dbraw/zinc/01/04/72/233010472.db2.gz WBSGLFBLFIJPKC-OGCZOTBESA-N 2 2 287.363 2.149 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874437 364239217 /nfs/dbraw/zinc/23/92/17/364239217.db2.gz BYEWFRGCGFIYNU-UHFFFAOYSA-N 2 2 281.356 2.020 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874437 364239222 /nfs/dbraw/zinc/23/92/22/364239222.db2.gz BYEWFRGCGFIYNU-UHFFFAOYSA-N 2 2 281.356 2.020 20 5 CEBDLP C[NH+](C)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114562454 364952564 /nfs/dbraw/zinc/95/25/64/364952564.db2.gz JXTXHNZMZCGQIN-UHFFFAOYSA-N 2 2 277.368 2.163 20 5 CEBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261591532 371667294 /nfs/dbraw/zinc/66/72/94/371667294.db2.gz LZTLBBKZBHVNRY-CYBMUJFWSA-N 2 2 283.759 2.419 20 5 CEBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261591532 371667301 /nfs/dbraw/zinc/66/73/01/371667301.db2.gz LZTLBBKZBHVNRY-CYBMUJFWSA-N 2 2 283.759 2.419 20 5 CEBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C1 ZINC000423200199 377116220 /nfs/dbraw/zinc/11/62/20/377116220.db2.gz DUKFMZRABDBGPJ-NEPJUHHUSA-N 2 2 295.408 2.417 20 5 CEBDLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423177533 377087566 /nfs/dbraw/zinc/08/75/66/377087566.db2.gz AWEXQKNHGJXFMP-JSGCOSHPSA-N 2 2 263.341 2.388 20 5 CEBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898820 377814724 /nfs/dbraw/zinc/81/47/24/377814724.db2.gz WIRMKSHULAULJT-MNOVXSKESA-N 2 2 289.339 2.113 20 5 CEBDLP CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[NH2+]C1 ZINC000347031190 218098488 /nfs/dbraw/zinc/09/84/88/218098488.db2.gz YIFJVCCCLDXZGC-OAHLLOKOSA-N 2 2 277.368 2.477 20 5 CEBDLP CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[NH2+]C1 ZINC000347031190 218098490 /nfs/dbraw/zinc/09/84/90/218098490.db2.gz YIFJVCCCLDXZGC-OAHLLOKOSA-N 2 2 277.368 2.477 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000400401832 533505845 /nfs/dbraw/zinc/50/58/45/533505845.db2.gz KWSMXZFTVSEVRA-MISXGVKJSA-N 2 2 263.341 2.386 20 5 CEBDLP C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000237374823 131026387 /nfs/dbraw/zinc/02/63/87/131026387.db2.gz SXOAQRDDTYIGMA-LBPRGKRZSA-N 2 2 274.324 2.217 20 5 CEBDLP C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000414862374 394776138 /nfs/dbraw/zinc/77/61/38/394776138.db2.gz XNIQOVZDUVGQSE-GXSJLCMTSA-N 2 2 269.370 2.134 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423355009 394899437 /nfs/dbraw/zinc/89/94/37/394899437.db2.gz DQSZMTGGDZHEJM-UHIISALHSA-N 2 2 263.341 2.243 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000035275288 172095897 /nfs/dbraw/zinc/09/58/97/172095897.db2.gz BTBOTILHIVQJIA-LBPRGKRZSA-N 2 2 274.324 2.278 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000040591677 174346964 /nfs/dbraw/zinc/34/69/64/174346964.db2.gz LNBUIYMXWAUZLU-LBPRGKRZSA-N 2 2 263.341 2.026 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000040591677 174346965 /nfs/dbraw/zinc/34/69/65/174346965.db2.gz LNBUIYMXWAUZLU-LBPRGKRZSA-N 2 2 263.341 2.026 20 5 CEBDLP CCC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423200265 270867993 /nfs/dbraw/zinc/86/79/93/270867993.db2.gz FEVQSHTWAALCCF-JSGCOSHPSA-N 2 2 263.341 2.388 20 5 CEBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000430543128 271388164 /nfs/dbraw/zinc/38/81/64/271388164.db2.gz DGGDBXYRQJGDLN-CYBMUJFWSA-N 2 2 269.320 2.197 20 5 CEBDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423438448 281042360 /nfs/dbraw/zinc/04/23/60/281042360.db2.gz UVQIMNQNGMDBLE-DOMZBBRYSA-N 2 2 293.367 2.014 20 5 CEBDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423513499 281058655 /nfs/dbraw/zinc/05/86/55/281058655.db2.gz LUDWQNVBJAKXSD-HUUCEWRRSA-N 2 2 293.367 2.014 20 5 CEBDLP Cn1c[nH+]c(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000459655989 290206020 /nfs/dbraw/zinc/20/60/20/290206020.db2.gz GXUKIPFCKNOKIN-GQCTYLIASA-N 2 2 286.335 2.174 20 5 CEBDLP Cc1c(C[NH2+]CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000231885274 639881994 /nfs/dbraw/zinc/88/19/94/639881994.db2.gz PJXLXNGDLPGQHE-UHFFFAOYSA-N 2 2 274.324 2.280 20 5 CEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000866242664 647690195 /nfs/dbraw/zinc/69/01/95/647690195.db2.gz QJVLPKJOFYJZIL-SMDDNHRTSA-N 2 2 295.358 2.349 20 5 CEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1C ZINC000866242664 647690198 /nfs/dbraw/zinc/69/01/98/647690198.db2.gz QJVLPKJOFYJZIL-SMDDNHRTSA-N 2 2 295.358 2.349 20 5 CEBDLP Cc1c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000873109224 649559795 /nfs/dbraw/zinc/55/97/95/649559795.db2.gz HVTMFHNMZHSUKS-ZDUSSCGKSA-N 2 2 286.335 2.204 20 5 CEBDLP CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH3+] ZINC000883441913 652471302 /nfs/dbraw/zinc/47/13/02/652471302.db2.gz ACPDANRHPRXJSE-NWDGAFQWSA-N 2 2 283.759 2.464 20 5 CEBDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000037655339 361919290 /nfs/dbraw/zinc/91/92/90/361919290.db2.gz KMPGFMONMVKKHS-GFCCVEGCSA-N 2 2 263.341 2.026 20 5 CEBDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000037655339 361919292 /nfs/dbraw/zinc/91/92/92/361919292.db2.gz KMPGFMONMVKKHS-GFCCVEGCSA-N 2 2 263.341 2.026 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000591278549 345237554 /nfs/dbraw/zinc/23/75/54/345237554.db2.gz OQWMUZFIZRXIML-NSHDSACASA-N 2 2 283.759 2.480 20 5 CEBDLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577851 345265931 /nfs/dbraw/zinc/26/59/31/345265931.db2.gz IWIASBHJNNYHDC-DGCLKSJQSA-N 2 2 263.341 2.388 20 5 CEBDLP CC[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489425 345359377 /nfs/dbraw/zinc/35/93/77/345359377.db2.gz VKNYNMWFGGMIMK-GXFFZTMASA-N 2 2 281.331 2.293 20 5 CEBDLP CC[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489425 345359380 /nfs/dbraw/zinc/35/93/80/345359380.db2.gz VKNYNMWFGGMIMK-GXFFZTMASA-N 2 2 281.331 2.293 20 5 CEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725926 345527773 /nfs/dbraw/zinc/52/77/73/345527773.db2.gz ZTFMOCAHJFZZKS-CYBMUJFWSA-N 2 2 281.356 2.106 20 5 CEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725926 345527776 /nfs/dbraw/zinc/52/77/76/345527776.db2.gz ZTFMOCAHJFZZKS-CYBMUJFWSA-N 2 2 281.356 2.106 20 5 CEBDLP Cc1c(C[N@@H+](C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595898617 345910291 /nfs/dbraw/zinc/91/02/91/345910291.db2.gz KMNRILYDWLEENZ-UHFFFAOYSA-N 2 2 251.330 2.072 20 5 CEBDLP Cc1c(C[N@H+](C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595898617 345910294 /nfs/dbraw/zinc/91/02/94/345910294.db2.gz KMNRILYDWLEENZ-UHFFFAOYSA-N 2 2 251.330 2.072 20 5 CEBDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000596652821 346072278 /nfs/dbraw/zinc/07/22/78/346072278.db2.gz IKFZRAZGWCENHN-QWRGUYRKSA-N 2 2 251.330 2.162 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070074600 363027424 /nfs/dbraw/zinc/02/74/24/363027424.db2.gz MZMHJHAGFUJQLE-NWDGAFQWSA-N 2 2 293.367 2.163 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070074600 363027429 /nfs/dbraw/zinc/02/74/29/363027429.db2.gz MZMHJHAGFUJQLE-NWDGAFQWSA-N 2 2 293.367 2.163 20 5 CEBDLP CC[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000145468412 366572803 /nfs/dbraw/zinc/57/28/03/366572803.db2.gz ZBUKTHUYCDGWFT-UHFFFAOYSA-N 2 2 286.335 2.285 20 5 CEBDLP C[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179631973 189208980 /nfs/dbraw/zinc/20/89/80/189208980.db2.gz ZMXGCZLHAXPUHH-HZRUHFOJSA-N 2 2 289.379 2.492 20 5 CEBDLP C[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179631973 189208981 /nfs/dbraw/zinc/20/89/81/189208981.db2.gz ZMXGCZLHAXPUHH-HZRUHFOJSA-N 2 2 289.379 2.492 20 5 CEBDLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000276522038 193365909 /nfs/dbraw/zinc/36/59/09/193365909.db2.gz VJUINYMANZLHBX-UKRRQHHQSA-N 2 2 291.395 2.457 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH2+]C1 ZINC000226436054 370342627 /nfs/dbraw/zinc/34/26/27/370342627.db2.gz DVZSODCHTPEMQH-GFCCVEGCSA-N 2 2 263.341 2.026 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH2+]C1 ZINC000226436054 370342633 /nfs/dbraw/zinc/34/26/33/370342633.db2.gz DVZSODCHTPEMQH-GFCCVEGCSA-N 2 2 263.341 2.026 20 5 CEBDLP Cc1c(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358303214 371003431 /nfs/dbraw/zinc/00/34/31/371003431.db2.gz AVDANHJGBWNWBP-NHYWBVRUSA-N 2 2 289.379 2.476 20 5 CEBDLP Cc1c(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358303214 371003433 /nfs/dbraw/zinc/00/34/33/371003433.db2.gz AVDANHJGBWNWBP-NHYWBVRUSA-N 2 2 289.379 2.476 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261726039 371712660 /nfs/dbraw/zinc/71/26/60/371712660.db2.gz KSOBUJSIVDNABA-BZPMIXESSA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261726039 371712663 /nfs/dbraw/zinc/71/26/63/371712663.db2.gz KSOBUJSIVDNABA-BZPMIXESSA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000261652619 371692705 /nfs/dbraw/zinc/69/27/05/371692705.db2.gz DKAGYBLNIIGIJN-ZYHUDNBSSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000261652619 371692707 /nfs/dbraw/zinc/69/27/07/371692707.db2.gz DKAGYBLNIIGIJN-ZYHUDNBSSA-N 2 2 281.331 2.151 20 5 CEBDLP Cc1c(C[N@@H+](C)C2(C[NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000385483803 375234674 /nfs/dbraw/zinc/23/46/74/375234674.db2.gz OJHQFKBWIYKWTK-UHFFFAOYSA-N 2 2 263.341 2.216 20 5 CEBDLP Cc1c(C[N@H+](C)C2(C[NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000385483803 375234678 /nfs/dbraw/zinc/23/46/78/375234678.db2.gz OJHQFKBWIYKWTK-UHFFFAOYSA-N 2 2 263.341 2.216 20 5 CEBDLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017033 376931968 /nfs/dbraw/zinc/93/19/68/376931968.db2.gz NUJQJKYBSOASLB-WZRBSPASSA-N 2 2 263.341 2.386 20 5 CEBDLP C[NH+](C)CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330489103 377154985 /nfs/dbraw/zinc/15/49/85/377154985.db2.gz KBDGKSOWPVIQMQ-UHFFFAOYSA-N 2 2 293.367 2.074 20 5 CEBDLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267936 377187130 /nfs/dbraw/zinc/18/71/30/377187130.db2.gz UFJGDFSZPGDNLM-MFKMUULPSA-N 2 2 251.330 2.229 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000347033665 395118043 /nfs/dbraw/zinc/11/80/43/395118043.db2.gz BXCNNFZDKDRYGT-XHDPSFHLSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000347033665 395118047 /nfs/dbraw/zinc/11/80/47/395118047.db2.gz BXCNNFZDKDRYGT-XHDPSFHLSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420394976 395369031 /nfs/dbraw/zinc/36/90/31/395369031.db2.gz SNYBWXXODTWIJX-GXTWGEPZSA-N 2 2 293.367 2.014 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420394976 395369035 /nfs/dbraw/zinc/36/90/35/395369035.db2.gz SNYBWXXODTWIJX-GXTWGEPZSA-N 2 2 293.367 2.014 20 5 CEBDLP C[NH2+]CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420355196 395342767 /nfs/dbraw/zinc/34/27/67/395342767.db2.gz DZCDRCDRGIYNLB-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP C[NH2+]CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420355196 395342774 /nfs/dbraw/zinc/34/27/74/395342774.db2.gz DZCDRCDRGIYNLB-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP C[NH+]1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000035368277 172159421 /nfs/dbraw/zinc/15/94/21/172159421.db2.gz AUEHGGVXAQRBMK-UHFFFAOYSA-N 2 2 283.759 2.432 20 5 CEBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000071147796 176043953 /nfs/dbraw/zinc/04/39/53/176043953.db2.gz RHHNLSAKHPDKCV-SNVBAGLBSA-N 2 2 283.759 2.290 20 5 CEBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000071147796 176043954 /nfs/dbraw/zinc/04/39/54/176043954.db2.gz RHHNLSAKHPDKCV-SNVBAGLBSA-N 2 2 283.759 2.290 20 5 CEBDLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289390755 276122978 /nfs/dbraw/zinc/12/29/78/276122978.db2.gz DXBPNJXDIYGQJN-UHFFFAOYSA-N 2 2 295.383 2.377 20 5 CEBDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289390755 276122979 /nfs/dbraw/zinc/12/29/79/276122979.db2.gz DXBPNJXDIYGQJN-UHFFFAOYSA-N 2 2 295.383 2.377 20 5 CEBDLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423433988 281040206 /nfs/dbraw/zinc/04/02/06/281040206.db2.gz CSKCJRXIGLUKMZ-VWYCJHECSA-N 2 2 251.330 2.290 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423437568 281041817 /nfs/dbraw/zinc/04/18/17/281041817.db2.gz GGDUSTDKXYQUTG-DCAQKATOSA-N 2 2 281.356 2.380 20 5 CEBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207551 314078702 /nfs/dbraw/zinc/07/87/02/314078702.db2.gz BUAIGYBRQBXHQT-WFASDCNBSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207551 314078705 /nfs/dbraw/zinc/07/87/05/314078705.db2.gz BUAIGYBRQBXHQT-WFASDCNBSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207551 314078707 /nfs/dbraw/zinc/07/87/07/314078707.db2.gz BUAIGYBRQBXHQT-WFASDCNBSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207551 314078710 /nfs/dbraw/zinc/07/87/10/314078710.db2.gz BUAIGYBRQBXHQT-WFASDCNBSA-N 2 2 277.368 2.367 20 5 CEBDLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349924 527884901 /nfs/dbraw/zinc/88/49/01/527884901.db2.gz UDMYXQGNYPLAPY-JSGCOSHPSA-N 2 2 277.368 2.210 20 5 CEBDLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349924 527884904 /nfs/dbraw/zinc/88/49/04/527884904.db2.gz UDMYXQGNYPLAPY-JSGCOSHPSA-N 2 2 277.368 2.210 20 5 CEBDLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903058224 634949406 /nfs/dbraw/zinc/94/94/06/634949406.db2.gz HXMMRCOGRLBJEN-LLVKDONJSA-N 2 2 293.367 2.348 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000904420118 635631294 /nfs/dbraw/zinc/63/12/94/635631294.db2.gz BXISEPQBIWZTJZ-NWDGAFQWSA-N 2 2 295.770 2.290 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000904420118 635631302 /nfs/dbraw/zinc/63/13/02/635631302.db2.gz BXISEPQBIWZTJZ-NWDGAFQWSA-N 2 2 295.770 2.290 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056865 640260263 /nfs/dbraw/zinc/26/02/63/640260263.db2.gz BDFILDLRQIBZMD-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056865 640260268 /nfs/dbraw/zinc/26/02/68/640260268.db2.gz BDFILDLRQIBZMD-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788488025 648193931 /nfs/dbraw/zinc/19/39/31/648193931.db2.gz GLQXCKLXOACTQG-UHFFFAOYSA-N 2 2 292.314 2.453 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788488025 648193934 /nfs/dbraw/zinc/19/39/34/648193934.db2.gz GLQXCKLXOACTQG-UHFFFAOYSA-N 2 2 292.314 2.453 20 5 CEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507440 652432078 /nfs/dbraw/zinc/43/20/78/652432078.db2.gz LZGLTKXTMXIMDH-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507440 652432079 /nfs/dbraw/zinc/43/20/79/652432079.db2.gz LZGLTKXTMXIMDH-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883442433 652471204 /nfs/dbraw/zinc/47/12/04/652471204.db2.gz LCNQDQUCKKYGTH-RYUDHWBXSA-N 2 2 283.759 2.464 20 5 CEBDLP CCC1([NH3+])CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000714759740 814914049 /nfs/dbraw/zinc/91/40/49/814914049.db2.gz SAMXFLQAPZBPBM-UHFFFAOYSA-N 2 2 263.341 2.298 20 5 CEBDLP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000449223884 282148040 /nfs/dbraw/zinc/14/80/40/282148040.db2.gz KTCGSNWFTQWCMF-NWDGAFQWSA-N 2 2 265.357 2.066 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000045105701 343480842 /nfs/dbraw/zinc/48/08/42/343480842.db2.gz UTFUSRVZNQFHJV-UHFFFAOYSA-N 2 2 274.324 2.361 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC000594738119 345682603 /nfs/dbraw/zinc/68/26/03/345682603.db2.gz IBFBRZRJKIUCQR-UHFFFAOYSA-N 2 2 255.343 2.017 20 5 CEBDLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000594920778 345702047 /nfs/dbraw/zinc/70/20/47/345702047.db2.gz AJGAEJFQOURYFX-JTQLQIEISA-N 2 2 274.324 2.488 20 5 CEBDLP Cc1c(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682511 346400261 /nfs/dbraw/zinc/40/02/61/346400261.db2.gz OAJHYZVNBZZROJ-DZGCQCFKSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1c(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682511 346400263 /nfs/dbraw/zinc/40/02/63/346400263.db2.gz OAJHYZVNBZZROJ-DZGCQCFKSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000599014705 346446430 /nfs/dbraw/zinc/44/64/30/346446430.db2.gz USNOXUNRZMOOLW-AWEZNQCLSA-N 2 2 263.341 2.087 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000599014705 346446431 /nfs/dbraw/zinc/44/64/31/346446431.db2.gz USNOXUNRZMOOLW-AWEZNQCLSA-N 2 2 263.341 2.087 20 5 CEBDLP C[N@@H+]1CCC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000608836138 347622589 /nfs/dbraw/zinc/62/25/89/347622589.db2.gz SBZLAYQSWKKYQX-GBXSZLQWSA-N 2 2 275.352 2.292 20 5 CEBDLP C[N@H+]1CCC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000608836138 347622593 /nfs/dbraw/zinc/62/25/93/347622593.db2.gz SBZLAYQSWKKYQX-GBXSZLQWSA-N 2 2 275.352 2.292 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000236838247 370637868 /nfs/dbraw/zinc/63/78/68/370637868.db2.gz QIBGCQYYUVOKFV-UHFFFAOYSA-N 2 2 293.367 2.177 20 5 CEBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414794770 375977681 /nfs/dbraw/zinc/97/76/81/375977681.db2.gz MDRSLQYLCRKQKN-GFCCVEGCSA-N 2 2 271.748 2.321 20 5 CEBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343780 376740783 /nfs/dbraw/zinc/74/07/83/376740783.db2.gz FQRMSYDAPNILNM-PWSUYJOCSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343780 376740800 /nfs/dbraw/zinc/74/08/00/376740800.db2.gz FQRMSYDAPNILNM-PWSUYJOCSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343780 376740803 /nfs/dbraw/zinc/74/08/03/376740803.db2.gz FQRMSYDAPNILNM-PWSUYJOCSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343780 376740806 /nfs/dbraw/zinc/74/08/06/376740806.db2.gz FQRMSYDAPNILNM-PWSUYJOCSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000423017024 376931056 /nfs/dbraw/zinc/93/10/56/376931056.db2.gz NUJQJKYBSOASLB-LOWVWBTDSA-N 2 2 263.341 2.386 20 5 CEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019220 376936849 /nfs/dbraw/zinc/93/68/49/376936849.db2.gz UTCWBKZOZLFFBF-JHJVBQTASA-N 2 2 293.367 2.012 20 5 CEBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423145681 377046660 /nfs/dbraw/zinc/04/66/60/377046660.db2.gz LZAVDKMQHARWRZ-SGMGOOAPSA-N 2 2 293.367 2.012 20 5 CEBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[NH2+]C ZINC000423222816 377139457 /nfs/dbraw/zinc/13/94/57/377139457.db2.gz CUOQAMKPOORBLJ-LLVKDONJSA-N 2 2 283.397 2.275 20 5 CEBDLP CCC[C@@H]([NH2+]CC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423225349 377140978 /nfs/dbraw/zinc/14/09/78/377140978.db2.gz MKXWXCRTIBAUBV-CYBMUJFWSA-N 2 2 251.330 2.245 20 5 CEBDLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423307527 377237425 /nfs/dbraw/zinc/23/74/25/377237425.db2.gz GXRNGZQWHOIVDK-NSHDSACASA-N 2 2 251.330 2.245 20 5 CEBDLP CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000414935884 394810732 /nfs/dbraw/zinc/81/07/32/394810732.db2.gz GHIISYFPRUQVNJ-UHFFFAOYSA-N 2 2 283.759 2.480 20 5 CEBDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415030094 394855095 /nfs/dbraw/zinc/85/50/95/394855095.db2.gz BUNRFGHTWVVZSU-VSKVDJIOSA-N 2 2 275.352 2.338 20 5 CEBDLP C[C@H](C[NH3+])[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423342869 394892323 /nfs/dbraw/zinc/89/23/23/394892323.db2.gz ZBXFQTCTVVCKFS-RNCFNFMXSA-N 2 2 263.341 2.254 20 5 CEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000367705792 156229180 /nfs/dbraw/zinc/22/91/80/156229180.db2.gz QZJFOUDHJHCDRB-NSHDSACASA-N 2 2 292.364 2.379 20 5 CEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000367705792 156229184 /nfs/dbraw/zinc/22/91/84/156229184.db2.gz QZJFOUDHJHCDRB-NSHDSACASA-N 2 2 292.364 2.379 20 5 CEBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397456444 270353879 /nfs/dbraw/zinc/35/38/79/270353879.db2.gz OIMKELZRTKXHKS-CKYFFXLPSA-N 2 2 283.397 2.462 20 5 CEBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397456444 270353881 /nfs/dbraw/zinc/35/38/81/270353881.db2.gz OIMKELZRTKXHKS-CKYFFXLPSA-N 2 2 283.397 2.462 20 5 CEBDLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423242944 270880670 /nfs/dbraw/zinc/88/06/70/270880670.db2.gz JSDWELKXYYOVFH-LLVKDONJSA-N 2 2 251.330 2.163 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430607964 271397529 /nfs/dbraw/zinc/39/75/29/271397529.db2.gz BWMGHOLHTWIWTP-QWHCGFSZSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430607964 271397533 /nfs/dbraw/zinc/39/75/33/271397533.db2.gz BWMGHOLHTWIWTP-QWHCGFSZSA-N 2 2 293.367 2.175 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000567248800 299046192 /nfs/dbraw/zinc/04/61/92/299046192.db2.gz NRESWOUYYKMDAE-UHFFFAOYSA-N 2 2 263.341 2.085 20 5 CEBDLP C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000566091314 313849510 /nfs/dbraw/zinc/84/95/10/313849510.db2.gz XBYJPDRWLZBURL-IUODEOHRSA-N 2 2 293.367 2.094 20 5 CEBDLP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000570009250 314020883 /nfs/dbraw/zinc/02/08/83/314020883.db2.gz UHOSVHWOTYROAY-UHFFFAOYSA-N 2 2 265.357 2.287 20 5 CEBDLP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000570009250 314020887 /nfs/dbraw/zinc/02/08/87/314020887.db2.gz UHOSVHWOTYROAY-UHFFFAOYSA-N 2 2 265.357 2.287 20 5 CEBDLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349923 527804266 /nfs/dbraw/zinc/80/42/66/527804266.db2.gz UDMYXQGNYPLAPY-GXTWGEPZSA-N 2 2 277.368 2.210 20 5 CEBDLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349923 527804269 /nfs/dbraw/zinc/80/42/69/527804269.db2.gz UDMYXQGNYPLAPY-GXTWGEPZSA-N 2 2 277.368 2.210 20 5 CEBDLP COc1cc([C@H](C)[NH2+]CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903055415 634948349 /nfs/dbraw/zinc/94/83/49/634948349.db2.gz FJEOPMYUTKTKFO-NSHDSACASA-N 2 2 281.356 2.206 20 5 CEBDLP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170295245 812375695 /nfs/dbraw/zinc/37/56/95/812375695.db2.gz BWBJYTCFZFGPPW-NEPJUHHUSA-N 2 2 295.383 2.074 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000449075950 282090393 /nfs/dbraw/zinc/09/03/93/282090393.db2.gz OGMPXTRVDAROAK-CHWSQXEVSA-N 2 2 288.351 2.401 20 5 CEBDLP CC[N@H+](C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108158 282103312 /nfs/dbraw/zinc/10/33/12/282103312.db2.gz PXFFHIHSGGYFEH-GFCCVEGCSA-N 2 2 265.357 2.067 20 5 CEBDLP CC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108158 282103315 /nfs/dbraw/zinc/10/33/15/282103315.db2.gz PXFFHIHSGGYFEH-GFCCVEGCSA-N 2 2 265.357 2.067 20 5 CEBDLP C[NH+](C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035081383 361808349 /nfs/dbraw/zinc/80/83/49/361808349.db2.gz RNSLZRCLQFAHSA-UHFFFAOYSA-N 2 2 271.748 2.290 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601333338 346822903 /nfs/dbraw/zinc/82/29/03/346822903.db2.gz CKMJPSRNUMQFOJ-HIFRSBDPSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601333338 346822904 /nfs/dbraw/zinc/82/29/04/346822904.db2.gz CKMJPSRNUMQFOJ-HIFRSBDPSA-N 2 2 275.352 2.169 20 5 CEBDLP CC[NH+]1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000037977208 361969726 /nfs/dbraw/zinc/96/97/26/361969726.db2.gz GPXFLMICHAYUOC-UHFFFAOYSA-N 2 2 277.368 2.477 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127206002 187289551 /nfs/dbraw/zinc/28/95/51/187289551.db2.gz AWTWRFCFWFDKIH-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127206002 187289552 /nfs/dbraw/zinc/28/95/52/187289552.db2.gz AWTWRFCFWFDKIH-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[NH+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963226 362388281 /nfs/dbraw/zinc/38/82/81/362388281.db2.gz QYGHBIWWBHSSJQ-UHFFFAOYSA-N 2 2 271.748 2.290 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000591562347 345264642 /nfs/dbraw/zinc/26/46/42/345264642.db2.gz KPFWOXCHCKODLV-UHFFFAOYSA-N 2 2 275.352 2.231 20 5 CEBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726277 345527913 /nfs/dbraw/zinc/52/79/13/345527913.db2.gz FVVYERRKXVVCJM-MDZLAQPJSA-N 2 2 293.367 2.106 20 5 CEBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726277 345527916 /nfs/dbraw/zinc/52/79/16/345527916.db2.gz FVVYERRKXVVCJM-MDZLAQPJSA-N 2 2 293.367 2.106 20 5 CEBDLP Cc1c([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cccc1[N+](=O)[O-] ZINC000596652844 346072140 /nfs/dbraw/zinc/07/21/40/346072140.db2.gz JFQIOCGPZNGORM-XIKARTHZSA-N 2 2 275.352 2.306 20 5 CEBDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000090720436 180030380 /nfs/dbraw/zinc/03/03/80/180030380.db2.gz IFNKUFBWOBHDHD-AAEUAGOBSA-N 2 2 293.367 2.176 20 5 CEBDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000090720436 180030382 /nfs/dbraw/zinc/03/03/82/180030382.db2.gz IFNKUFBWOBHDHD-AAEUAGOBSA-N 2 2 293.367 2.176 20 5 CEBDLP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341341 364269246 /nfs/dbraw/zinc/26/92/46/364269246.db2.gz IGYJNUVUAAOLEV-CABZTGNLSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341341 364269253 /nfs/dbraw/zinc/26/92/53/364269253.db2.gz IGYJNUVUAAOLEV-CABZTGNLSA-N 2 2 283.759 2.417 20 5 CEBDLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000276522043 193366366 /nfs/dbraw/zinc/36/63/66/193366366.db2.gz VJUINYMANZLHBX-ZFWWWQNUSA-N 2 2 291.395 2.457 20 5 CEBDLP Cc1c(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000227197644 370363452 /nfs/dbraw/zinc/36/34/52/370363452.db2.gz NLKMYQRMCPCUBS-XHDPSFHLSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1c(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000227197644 370363455 /nfs/dbraw/zinc/36/34/55/370363455.db2.gz NLKMYQRMCPCUBS-XHDPSFHLSA-N 2 2 277.368 2.462 20 5 CEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019219 376936797 /nfs/dbraw/zinc/93/67/97/376936797.db2.gz UTCWBKZOZLFFBF-FRRDWIJNSA-N 2 2 293.367 2.012 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000423187555 377099629 /nfs/dbraw/zinc/09/96/29/377099629.db2.gz KVZMYBCTCXYVNT-LSDHHAIUSA-N 2 2 289.379 2.258 20 5 CEBDLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000313268205 249391757 /nfs/dbraw/zinc/39/17/57/249391757.db2.gz VMLTXNJZHUVUDF-LLVKDONJSA-N 2 2 274.324 2.222 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+](C)C ZINC000449321461 378200981 /nfs/dbraw/zinc/20/09/81/378200981.db2.gz SQLTWUHPAUSHGF-NEPJUHHUSA-N 2 2 265.357 2.066 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414968986 394830823 /nfs/dbraw/zinc/83/08/23/394830823.db2.gz YWLMCUMVTVACDN-RISCZKNCSA-N 2 2 293.367 2.081 20 5 CEBDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000415013113 394849805 /nfs/dbraw/zinc/84/98/05/394849805.db2.gz KCADZWQGIPLYAO-YUMQZZPRSA-N 2 2 257.721 2.074 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423361772 394901339 /nfs/dbraw/zinc/90/13/39/394901339.db2.gz MOHAEIDKOZVIFR-UHIISALHSA-N 2 2 263.341 2.243 20 5 CEBDLP Cc1c[nH+]ccc1CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000565890024 395490038 /nfs/dbraw/zinc/49/00/38/395490038.db2.gz ZABLXQVKAYPDQW-UHFFFAOYSA-N 2 2 298.346 2.294 20 5 CEBDLP Cc1c[nH+]ccc1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000565890024 395490042 /nfs/dbraw/zinc/49/00/42/395490042.db2.gz ZABLXQVKAYPDQW-UHFFFAOYSA-N 2 2 298.346 2.294 20 5 CEBDLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672577 174370892 /nfs/dbraw/zinc/37/08/92/174370892.db2.gz JVUCEDRWVJHFQB-AAEUAGOBSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672577 174370893 /nfs/dbraw/zinc/37/08/93/174370893.db2.gz JVUCEDRWVJHFQB-AAEUAGOBSA-N 2 2 263.341 2.340 20 5 CEBDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272557403 277177779 /nfs/dbraw/zinc/17/77/79/277177779.db2.gz DPQNBAGYJOIHLB-ZFWWWQNUSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272557403 277177781 /nfs/dbraw/zinc/17/77/81/277177781.db2.gz DPQNBAGYJOIHLB-ZFWWWQNUSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272557403 277177782 /nfs/dbraw/zinc/17/77/82/277177782.db2.gz DPQNBAGYJOIHLB-ZFWWWQNUSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272557403 277177783 /nfs/dbraw/zinc/17/77/83/277177783.db2.gz DPQNBAGYJOIHLB-ZFWWWQNUSA-N 2 2 275.352 2.121 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000570174903 314029983 /nfs/dbraw/zinc/02/99/83/314029983.db2.gz GRYDHQJPHUYMCQ-BXUZGUMPSA-N 2 2 298.346 2.383 20 5 CEBDLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349927 527807959 /nfs/dbraw/zinc/80/79/59/527807959.db2.gz UDMYXQGNYPLAPY-TZMCWYRMSA-N 2 2 277.368 2.210 20 5 CEBDLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349927 527807961 /nfs/dbraw/zinc/80/79/61/527807961.db2.gz UDMYXQGNYPLAPY-TZMCWYRMSA-N 2 2 277.368 2.210 20 5 CEBDLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261947722 629371545 /nfs/dbraw/zinc/37/15/45/629371545.db2.gz NMXIUTJDWSIDMD-SNVBAGLBSA-N 2 2 269.732 2.029 20 5 CEBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261947722 629371551 /nfs/dbraw/zinc/37/15/51/629371551.db2.gz NMXIUTJDWSIDMD-SNVBAGLBSA-N 2 2 269.732 2.029 20 5 CEBDLP CC1(C)CC[N@H+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000898034432 632028300 /nfs/dbraw/zinc/02/83/00/632028300.db2.gz OWACWRJHORDUTI-UHFFFAOYSA-N 2 2 291.395 2.459 20 5 CEBDLP CC1(C)CC[N@@H+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000898034432 632028306 /nfs/dbraw/zinc/02/83/06/632028306.db2.gz OWACWRJHORDUTI-UHFFFAOYSA-N 2 2 291.395 2.459 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903883398 635326206 /nfs/dbraw/zinc/32/62/06/635326206.db2.gz VMXSTSJORJISDM-CYBMUJFWSA-N 2 2 289.379 2.343 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903883398 635326210 /nfs/dbraw/zinc/32/62/10/635326210.db2.gz VMXSTSJORJISDM-CYBMUJFWSA-N 2 2 289.379 2.343 20 5 CEBDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168991609 811323228 /nfs/dbraw/zinc/32/32/28/811323228.db2.gz IAIPGBVHZXKTQW-RDBSUJKOSA-N 2 2 283.416 2.142 20 5 CEBDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168991609 811323238 /nfs/dbraw/zinc/32/32/38/811323238.db2.gz IAIPGBVHZXKTQW-RDBSUJKOSA-N 2 2 283.416 2.142 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001173214479 815636951 /nfs/dbraw/zinc/63/69/51/815636951.db2.gz NVBGWLQEORJFPL-IUODEOHRSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001173214479 815636956 /nfs/dbraw/zinc/63/69/56/815636956.db2.gz NVBGWLQEORJFPL-IUODEOHRSA-N 2 2 277.368 2.210 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334740 346823610 /nfs/dbraw/zinc/82/36/10/346823610.db2.gz NBRPHVRFBAYZCO-GXTWGEPZSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334740 346823613 /nfs/dbraw/zinc/82/36/13/346823613.db2.gz NBRPHVRFBAYZCO-GXTWGEPZSA-N 2 2 275.352 2.169 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127205348 187289430 /nfs/dbraw/zinc/28/94/30/187289430.db2.gz AWTWRFCFWFDKIH-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127205348 187289431 /nfs/dbraw/zinc/28/94/31/187289431.db2.gz AWTWRFCFWFDKIH-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275626 345236892 /nfs/dbraw/zinc/23/68/92/345236892.db2.gz LGXGRHIAOSHVPB-VSKVDJIOSA-N 2 2 275.352 2.340 20 5 CEBDLP Cc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000594736532 345682259 /nfs/dbraw/zinc/68/22/59/345682259.db2.gz RAXWIXJXKHUWJJ-UHFFFAOYSA-N 2 2 251.330 2.072 20 5 CEBDLP Cc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000594736532 345682263 /nfs/dbraw/zinc/68/22/63/345682263.db2.gz RAXWIXJXKHUWJJ-UHFFFAOYSA-N 2 2 251.330 2.072 20 5 CEBDLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000594920780 345702082 /nfs/dbraw/zinc/70/20/82/345702082.db2.gz AJGAEJFQOURYFX-SNVBAGLBSA-N 2 2 274.324 2.488 20 5 CEBDLP O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594921729 345702632 /nfs/dbraw/zinc/70/26/32/345702632.db2.gz RZTSZQGSROUXPE-UHFFFAOYSA-N 2 2 286.335 2.070 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196046 362758604 /nfs/dbraw/zinc/75/86/04/362758604.db2.gz RNBKJXCZQJFALA-WFASDCNBSA-N 2 2 277.368 2.339 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196046 362758609 /nfs/dbraw/zinc/75/86/09/362758609.db2.gz RNBKJXCZQJFALA-WFASDCNBSA-N 2 2 277.368 2.339 20 5 CEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858045 363171303 /nfs/dbraw/zinc/17/13/03/363171303.db2.gz RIDYDBWRJZUIFH-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858045 363171308 /nfs/dbraw/zinc/17/13/08/363171308.db2.gz RIDYDBWRJZUIFH-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858045 363171313 /nfs/dbraw/zinc/17/13/13/363171313.db2.gz RIDYDBWRJZUIFH-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858045 363171316 /nfs/dbraw/zinc/17/13/16/363171316.db2.gz RIDYDBWRJZUIFH-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494408953 290972267 /nfs/dbraw/zinc/97/22/67/290972267.db2.gz FOQWPFOKYHEDCQ-MFBWXBCUSA-N 2 2 298.346 2.409 20 5 CEBDLP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251689641 371411986 /nfs/dbraw/zinc/41/19/86/371411986.db2.gz IGYJNUVUAAOLEV-JOYOIKCWSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251689641 371411990 /nfs/dbraw/zinc/41/19/90/371411990.db2.gz IGYJNUVUAAOLEV-JOYOIKCWSA-N 2 2 283.759 2.417 20 5 CEBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261708263 371708631 /nfs/dbraw/zinc/70/86/31/371708631.db2.gz JCSMBTAKRXINAS-GFCCVEGCSA-N 2 2 281.331 2.437 20 5 CEBDLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261708263 371708635 /nfs/dbraw/zinc/70/86/35/371708635.db2.gz JCSMBTAKRXINAS-GFCCVEGCSA-N 2 2 281.331 2.437 20 5 CEBDLP C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261634203 371685263 /nfs/dbraw/zinc/68/52/63/371685263.db2.gz DPMBENLPPFIPRN-DOMZBBRYSA-N 2 2 277.368 2.197 20 5 CEBDLP C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261634203 371685273 /nfs/dbraw/zinc/68/52/73/371685273.db2.gz DPMBENLPPFIPRN-DOMZBBRYSA-N 2 2 277.368 2.197 20 5 CEBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160345 375819276 /nfs/dbraw/zinc/81/92/76/375819276.db2.gz PTBHJBJFRQVCDF-DGCLKSJQSA-N 2 2 292.383 2.312 20 5 CEBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160345 375819281 /nfs/dbraw/zinc/81/92/81/375819281.db2.gz PTBHJBJFRQVCDF-DGCLKSJQSA-N 2 2 292.383 2.312 20 5 CEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019218 376936933 /nfs/dbraw/zinc/93/69/33/376936933.db2.gz UTCWBKZOZLFFBF-AGIUHOORSA-N 2 2 293.367 2.012 20 5 CEBDLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423177531 377087649 /nfs/dbraw/zinc/08/76/49/377087649.db2.gz AWEXQKNHGJXFMP-GXTWGEPZSA-N 2 2 263.341 2.388 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423180010 377093249 /nfs/dbraw/zinc/09/32/49/377093249.db2.gz DSMBHFFMZZQOCM-WCQYABFASA-N 2 2 293.367 2.396 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423194466 377107073 /nfs/dbraw/zinc/10/70/73/377107073.db2.gz RNSAOKAOQDXEHK-YPMHNXCESA-N 2 2 263.341 2.306 20 5 CEBDLP O=[N+]([O-])c1ccc(CC[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000049328091 394545352 /nfs/dbraw/zinc/54/53/52/394545352.db2.gz NRCXQKNUSOOJPF-UHFFFAOYSA-N 2 2 274.324 2.014 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422562693 394711552 /nfs/dbraw/zinc/71/15/52/394711552.db2.gz QRTNIMWPSQAPIG-HYXAFXHYSA-N 2 2 287.363 2.436 20 5 CEBDLP COc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414830445 394758190 /nfs/dbraw/zinc/75/81/90/394758190.db2.gz AZPDPYMOJGQHCA-GFCCVEGCSA-N 2 2 281.356 2.066 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414830628 394759040 /nfs/dbraw/zinc/75/90/40/394759040.db2.gz BGFQJUGDHGBYBO-CYBMUJFWSA-N 2 2 265.357 2.366 20 5 CEBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352519307 395261249 /nfs/dbraw/zinc/26/12/49/395261249.db2.gz NPNXSRYBZAGKPZ-LLVKDONJSA-N 2 2 281.331 2.437 20 5 CEBDLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352519307 395261253 /nfs/dbraw/zinc/26/12/53/395261253.db2.gz NPNXSRYBZAGKPZ-LLVKDONJSA-N 2 2 281.331 2.437 20 5 CEBDLP C[C@@](C[NH3+])([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000430563504 271390145 /nfs/dbraw/zinc/39/01/45/271390145.db2.gz WILCWYCQUVQSBS-ZDUSSCGKSA-N 2 2 283.759 2.465 20 5 CEBDLP COC[C@@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423447366 281045684 /nfs/dbraw/zinc/04/56/84/281045684.db2.gz ZPWOYKWGKDQNFJ-DOMZBBRYSA-N 2 2 293.367 2.014 20 5 CEBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000386560691 321872251 /nfs/dbraw/zinc/87/22/51/321872251.db2.gz IYMDPVRJRQDPAQ-FZMZJTMJSA-N 2 2 263.341 2.215 20 5 CEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925826120 628906080 /nfs/dbraw/zinc/90/60/80/628906080.db2.gz LZAVDKMQHARWRZ-BZPMIXESSA-N 2 2 293.367 2.012 20 5 CEBDLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877741239 650884724 /nfs/dbraw/zinc/88/47/24/650884724.db2.gz ACWQKXYWGYKCLR-ZFWWWQNUSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877741239 650884726 /nfs/dbraw/zinc/88/47/26/650884726.db2.gz ACWQKXYWGYKCLR-ZFWWWQNUSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877741239 650884732 /nfs/dbraw/zinc/88/47/32/650884732.db2.gz ACWQKXYWGYKCLR-ZFWWWQNUSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877741239 650884735 /nfs/dbraw/zinc/88/47/35/650884735.db2.gz ACWQKXYWGYKCLR-ZFWWWQNUSA-N 2 2 275.352 2.121 20 5 CEBDLP C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000866673767 647864084 /nfs/dbraw/zinc/86/40/84/647864084.db2.gz IFWCHOWGZIVMPG-MWLCHTKSSA-N 2 2 283.759 2.275 20 5 CEBDLP C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000866673767 647864089 /nfs/dbraw/zinc/86/40/89/647864089.db2.gz IFWCHOWGZIVMPG-MWLCHTKSSA-N 2 2 283.759 2.275 20 5 CEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC([NH+](C)C)C1 ZINC000873135098 649566597 /nfs/dbraw/zinc/56/65/97/649566597.db2.gz WYLYLAXCJMJWKC-UHFFFAOYSA-N 2 2 277.368 2.394 20 5 CEBDLP CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000883442432 652471550 /nfs/dbraw/zinc/47/15/50/652471550.db2.gz LCNQDQUCKKYGTH-NWDGAFQWSA-N 2 2 283.759 2.464 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000449088420 282095470 /nfs/dbraw/zinc/09/54/70/282095470.db2.gz IENCGVRCLISDOV-WBMJQRKESA-N 2 2 291.395 2.456 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000601323680 346820516 /nfs/dbraw/zinc/82/05/16/346820516.db2.gz DIAIOFJMLRDQBY-CYBMUJFWSA-N 2 2 263.341 2.298 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000601323680 346820520 /nfs/dbraw/zinc/82/05/20/346820520.db2.gz DIAIOFJMLRDQBY-CYBMUJFWSA-N 2 2 263.341 2.298 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000601323684 346820686 /nfs/dbraw/zinc/82/06/86/346820686.db2.gz DIAIOFJMLRDQBY-ZDUSSCGKSA-N 2 2 263.341 2.298 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000601323684 346820688 /nfs/dbraw/zinc/82/06/88/346820688.db2.gz DIAIOFJMLRDQBY-ZDUSSCGKSA-N 2 2 263.341 2.298 20 5 CEBDLP C[N@@H+]1CC[C@@H]2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272392788 344667815 /nfs/dbraw/zinc/66/78/15/344667815.db2.gz YFWRGCZWBCFRPZ-ZBFHGGJFSA-N 2 2 289.379 2.163 20 5 CEBDLP C[N@H+]1CC[C@@H]2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272392788 344667818 /nfs/dbraw/zinc/66/78/18/344667818.db2.gz YFWRGCZWBCFRPZ-ZBFHGGJFSA-N 2 2 289.379 2.163 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272392788 344667822 /nfs/dbraw/zinc/66/78/22/344667822.db2.gz YFWRGCZWBCFRPZ-ZBFHGGJFSA-N 2 2 289.379 2.163 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272392788 344667825 /nfs/dbraw/zinc/66/78/25/344667825.db2.gz YFWRGCZWBCFRPZ-ZBFHGGJFSA-N 2 2 289.379 2.163 20 5 CEBDLP CCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000328148156 344754445 /nfs/dbraw/zinc/75/44/45/344754445.db2.gz CSXAWQBMSDFLBP-CQSZACIVSA-N 2 2 277.368 2.211 20 5 CEBDLP CCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000328148156 344754449 /nfs/dbraw/zinc/75/44/49/344754449.db2.gz CSXAWQBMSDFLBP-CQSZACIVSA-N 2 2 277.368 2.211 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275568 345236782 /nfs/dbraw/zinc/23/67/82/345236782.db2.gz DQPBFPDRIFGQEK-ZDUSSCGKSA-N 2 2 263.341 2.135 20 5 CEBDLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577855 345266016 /nfs/dbraw/zinc/26/60/16/345266016.db2.gz IWIASBHJNNYHDC-YPMHNXCESA-N 2 2 263.341 2.388 20 5 CEBDLP C[C@H]([NH3+])C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000591581324 345266787 /nfs/dbraw/zinc/26/67/87/345266787.db2.gz PVXKZWBXKNBVRM-ZANVPECISA-N 2 2 263.341 2.254 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000595003149 345724835 /nfs/dbraw/zinc/72/48/35/345724835.db2.gz FGNRDAYHSYVDDR-NSHDSACASA-N 2 2 293.367 2.348 20 5 CEBDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000596654008 346072971 /nfs/dbraw/zinc/07/29/71/346072971.db2.gz NJMRREUFFALWLC-MWLCHTKSSA-N 2 2 251.330 2.162 20 5 CEBDLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600714967 346676603 /nfs/dbraw/zinc/67/66/03/346676603.db2.gz WHYOLIXLEGNYOK-ZLKJLUDKSA-N 2 2 263.341 2.386 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600715484 346676782 /nfs/dbraw/zinc/67/67/82/346676782.db2.gz YWRDGGOMNNTSMB-GMXVVIOVSA-N 2 2 263.341 2.304 20 5 CEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504496 366059952 /nfs/dbraw/zinc/05/99/52/366059952.db2.gz WVEPGYFLCIRLGH-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504496 366059955 /nfs/dbraw/zinc/05/99/55/366059955.db2.gz WVEPGYFLCIRLGH-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000292261009 198221606 /nfs/dbraw/zinc/22/16/06/198221606.db2.gz YOWQAXOHFOSYJU-HNNXBMFYSA-N 2 2 293.342 2.262 20 5 CEBDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000292261009 198221608 /nfs/dbraw/zinc/22/16/08/198221608.db2.gz YOWQAXOHFOSYJU-HNNXBMFYSA-N 2 2 293.342 2.262 20 5 CEBDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000292261009 198221609 /nfs/dbraw/zinc/22/16/09/198221609.db2.gz YOWQAXOHFOSYJU-HNNXBMFYSA-N 2 2 293.342 2.262 20 5 CEBDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000292261009 198221611 /nfs/dbraw/zinc/22/16/11/198221611.db2.gz YOWQAXOHFOSYJU-HNNXBMFYSA-N 2 2 293.342 2.262 20 5 CEBDLP CC[N@H+]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344622542 217251079 /nfs/dbraw/zinc/25/10/79/217251079.db2.gz ZLDWECKZRMWSHY-JSGCOSHPSA-N 2 2 277.368 2.067 20 5 CEBDLP CC[N@@H+]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344622542 217251082 /nfs/dbraw/zinc/25/10/82/217251082.db2.gz ZLDWECKZRMWSHY-JSGCOSHPSA-N 2 2 277.368 2.067 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000377769542 374948303 /nfs/dbraw/zinc/94/83/03/374948303.db2.gz ANYHYGAWDDKNMX-GFCCVEGCSA-N 2 2 286.335 2.273 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000377769542 374948308 /nfs/dbraw/zinc/94/83/08/374948308.db2.gz ANYHYGAWDDKNMX-GFCCVEGCSA-N 2 2 286.335 2.273 20 5 CEBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160354 375819442 /nfs/dbraw/zinc/81/94/42/375819442.db2.gz PTBHJBJFRQVCDF-YPMHNXCESA-N 2 2 292.383 2.312 20 5 CEBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160354 375819449 /nfs/dbraw/zinc/81/94/49/375819449.db2.gz PTBHJBJFRQVCDF-YPMHNXCESA-N 2 2 292.383 2.312 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423194465 377107819 /nfs/dbraw/zinc/10/78/19/377107819.db2.gz RNSAOKAOQDXEHK-WCQYABFASA-N 2 2 263.341 2.306 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423236260 377155155 /nfs/dbraw/zinc/15/51/55/377155155.db2.gz NVLVRUZHVAIJRK-WCQYABFASA-N 2 2 293.367 2.396 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245650 378839349 /nfs/dbraw/zinc/83/93/49/378839349.db2.gz HPOIAWUUIMIMIF-COPLHBTASA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245650 378839353 /nfs/dbraw/zinc/83/93/53/378839353.db2.gz HPOIAWUUIMIMIF-COPLHBTASA-N 2 2 263.341 2.196 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347120808 218128790 /nfs/dbraw/zinc/12/87/90/218128790.db2.gz YVQSKOILRWCZQV-UHFFFAOYSA-N 2 2 293.367 2.177 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347120808 218128793 /nfs/dbraw/zinc/12/87/93/218128793.db2.gz YVQSKOILRWCZQV-UHFFFAOYSA-N 2 2 293.367 2.177 20 5 CEBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414910381 394800111 /nfs/dbraw/zinc/80/01/11/394800111.db2.gz CNYGMAUHVXNFGE-LJXYTEIVSA-N 2 2 275.352 2.196 20 5 CEBDLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414945725 394816433 /nfs/dbraw/zinc/81/64/33/394816433.db2.gz RYXBRMWVYAULTD-TVQRCGJNSA-N 2 2 283.759 2.336 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414968988 394830653 /nfs/dbraw/zinc/83/06/53/394830653.db2.gz YWLMCUMVTVACDN-SMDDNHRTSA-N 2 2 293.367 2.081 20 5 CEBDLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423570073 394953534 /nfs/dbraw/zinc/95/35/34/394953534.db2.gz WUCXFEHCMKPWOE-WCQYABFASA-N 2 2 263.341 2.388 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000423480007 394929146 /nfs/dbraw/zinc/92/91/46/394929146.db2.gz VXBSHJNYJOXZMU-ZYHUDNBSSA-N 2 2 281.356 2.381 20 5 CEBDLP C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420420623 395375222 /nfs/dbraw/zinc/37/52/22/395375222.db2.gz YAXCFQZFKLCDQE-QWRGUYRKSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420420623 395375228 /nfs/dbraw/zinc/37/52/28/395375228.db2.gz YAXCFQZFKLCDQE-QWRGUYRKSA-N 2 2 281.331 2.151 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420357252 395344707 /nfs/dbraw/zinc/34/47/07/395344707.db2.gz SAPNFQPRSOLFJV-SUNKGSAMSA-N 2 2 263.341 2.386 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420357252 395344711 /nfs/dbraw/zinc/34/47/11/395344711.db2.gz SAPNFQPRSOLFJV-SUNKGSAMSA-N 2 2 263.341 2.386 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000040600681 174350876 /nfs/dbraw/zinc/35/08/76/174350876.db2.gz DVTLCESMTYBYNT-LLVKDONJSA-N 2 2 281.331 2.165 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000040600681 174350877 /nfs/dbraw/zinc/35/08/77/174350877.db2.gz DVTLCESMTYBYNT-LLVKDONJSA-N 2 2 281.331 2.165 20 5 CEBDLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422946527 280976210 /nfs/dbraw/zinc/97/62/10/280976210.db2.gz OXFJUNAABSTHRA-WCQYABFASA-N 2 2 293.367 2.224 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623488 281270428 /nfs/dbraw/zinc/27/04/28/281270428.db2.gz GXHSSCFCRWXUCK-DOMZBBRYSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623488 281270430 /nfs/dbraw/zinc/27/04/30/281270430.db2.gz GXHSSCFCRWXUCK-DOMZBBRYSA-N 2 2 293.367 2.175 20 5 CEBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000841056730 639634354 /nfs/dbraw/zinc/63/43/54/639634354.db2.gz CGXWXJFLANGTEN-LLVKDONJSA-N 2 2 283.759 2.480 20 5 CEBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841094354 639655817 /nfs/dbraw/zinc/65/58/17/639655817.db2.gz XAWFYHUYDNIDEW-UHFFFAOYSA-N 2 2 283.759 2.480 20 5 CEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000866216104 647676376 /nfs/dbraw/zinc/67/63/76/647676376.db2.gz PUBINSCCTNQVDQ-LBPRGKRZSA-N 2 2 295.358 2.350 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000866666969 647861486 /nfs/dbraw/zinc/86/14/86/647861486.db2.gz YDPMMBYXLKGNNV-SLEUVZQESA-N 2 2 277.368 2.379 20 5 CEBDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000883441912 652471484 /nfs/dbraw/zinc/47/14/84/652471484.db2.gz ACPDANRHPRXJSE-NEPJUHHUSA-N 2 2 283.759 2.464 20 5 CEBDLP Cc1[nH+]cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c1CSCC[NH3+] ZINC001168979707 811308429 /nfs/dbraw/zinc/30/84/29/811308429.db2.gz ZLTDJZNXTYFWEK-RYUDHWBXSA-N 2 2 298.412 2.001 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601333342 346822779 /nfs/dbraw/zinc/82/27/79/346822779.db2.gz CKMJPSRNUMQFOJ-ZFWWWQNUSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601333342 346822783 /nfs/dbraw/zinc/82/27/83/346822783.db2.gz CKMJPSRNUMQFOJ-ZFWWWQNUSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601969816 346946360 /nfs/dbraw/zinc/94/63/60/346946360.db2.gz FNPYAWDQDGYJFP-WQDDEOEWSA-N 2 2 287.363 2.340 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000589518445 345085914 /nfs/dbraw/zinc/08/59/14/345085914.db2.gz WCVXSVVJKCFPKR-HYXAFXHYSA-N 2 2 284.319 2.320 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2c[nH+]cc2C1 ZINC000589518445 345085916 /nfs/dbraw/zinc/08/59/16/345085916.db2.gz WCVXSVVJKCFPKR-HYXAFXHYSA-N 2 2 284.319 2.320 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000595039637 345732884 /nfs/dbraw/zinc/73/28/84/345732884.db2.gz UPDZHLAOHRUHAL-NEPJUHHUSA-N 2 2 295.383 2.452 20 5 CEBDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595512899 345801011 /nfs/dbraw/zinc/80/10/11/345801011.db2.gz XSWRGDSNBIQNGS-HNNXBMFYSA-N 2 2 293.342 2.262 20 5 CEBDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595512899 345801013 /nfs/dbraw/zinc/80/10/13/345801013.db2.gz XSWRGDSNBIQNGS-HNNXBMFYSA-N 2 2 293.342 2.262 20 5 CEBDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595512899 345801016 /nfs/dbraw/zinc/80/10/16/345801016.db2.gz XSWRGDSNBIQNGS-HNNXBMFYSA-N 2 2 293.342 2.262 20 5 CEBDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595512899 345801018 /nfs/dbraw/zinc/80/10/18/345801018.db2.gz XSWRGDSNBIQNGS-HNNXBMFYSA-N 2 2 293.342 2.262 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595903063 345910751 /nfs/dbraw/zinc/91/07/51/345910751.db2.gz GYNGKJIAYWTKHN-BZUNDVKYSA-N 2 2 275.352 2.387 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595903063 345910755 /nfs/dbraw/zinc/91/07/55/345910755.db2.gz GYNGKJIAYWTKHN-BZUNDVKYSA-N 2 2 275.352 2.387 20 5 CEBDLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598719190 346407409 /nfs/dbraw/zinc/40/74/09/346407409.db2.gz LWDKAGRQGUKSHS-UKRRQHHQSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598719190 346407411 /nfs/dbraw/zinc/40/74/11/346407411.db2.gz LWDKAGRQGUKSHS-UKRRQHHQSA-N 2 2 275.352 2.216 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090720516 180030566 /nfs/dbraw/zinc/03/05/66/180030566.db2.gz PPUVXBIOLHYDPG-DGCLKSJQSA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000090720516 180030567 /nfs/dbraw/zinc/03/05/67/180030567.db2.gz PPUVXBIOLHYDPG-DGCLKSJQSA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171982 363045280 /nfs/dbraw/zinc/04/52/80/363045280.db2.gz WMOHZRSPFXHXFI-MWLCHTKSSA-N 2 2 269.370 2.216 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171982 363045284 /nfs/dbraw/zinc/04/52/84/363045284.db2.gz WMOHZRSPFXHXFI-MWLCHTKSSA-N 2 2 269.370 2.216 20 5 CEBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072857740 363171397 /nfs/dbraw/zinc/17/13/97/363171397.db2.gz ZTFBKUDGRRNPEW-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072857740 363171399 /nfs/dbraw/zinc/17/13/99/363171399.db2.gz ZTFBKUDGRRNPEW-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072857740 363171400 /nfs/dbraw/zinc/17/14/00/363171400.db2.gz ZTFBKUDGRRNPEW-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072857740 363171402 /nfs/dbraw/zinc/17/14/02/363171402.db2.gz ZTFBKUDGRRNPEW-CQSZACIVSA-N 2 2 277.368 2.368 20 5 CEBDLP C[NH+](C)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000418115552 237291594 /nfs/dbraw/zinc/29/15/94/237291594.db2.gz OYRHHAZBDOIZMZ-FNORWQNLSA-N 2 2 275.352 2.292 20 5 CEBDLP C[NH+](C)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000418115551 237293880 /nfs/dbraw/zinc/29/38/80/237293880.db2.gz OYRHHAZBDOIZMZ-ALCCZGGFSA-N 2 2 275.352 2.292 20 5 CEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cc[nH+]c1 ZINC000344857000 217333975 /nfs/dbraw/zinc/33/39/75/217333975.db2.gz FPCXXEUPYATGHT-UKTHLTGXSA-N 2 2 286.335 2.484 20 5 CEBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C1 ZINC000423200200 377115411 /nfs/dbraw/zinc/11/54/11/377115411.db2.gz DUKFMZRABDBGPJ-NWDGAFQWSA-N 2 2 295.408 2.417 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376725743 285115142 /nfs/dbraw/zinc/11/51/42/285115142.db2.gz HXBJGDMPSQPMOC-UHFFFAOYSA-N 2 2 286.335 2.417 20 5 CEBDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414830865 394759234 /nfs/dbraw/zinc/75/92/34/394759234.db2.gz BRVWGFXUWKLUHX-SNVBAGLBSA-N 2 2 257.359 2.119 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414941971 394814338 /nfs/dbraw/zinc/81/43/38/394814338.db2.gz DDEAIYLDQCWULH-DGCLKSJQSA-N 2 2 293.367 2.224 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415072943 394876195 /nfs/dbraw/zinc/87/61/95/394876195.db2.gz XODJPMODIRRXHW-ZDUSSCGKSA-N 2 2 263.341 2.135 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427123518 395093348 /nfs/dbraw/zinc/09/33/48/395093348.db2.gz XXTWFOPZQHBGFD-ZFWWWQNUSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427123518 395093350 /nfs/dbraw/zinc/09/33/50/395093350.db2.gz XXTWFOPZQHBGFD-ZFWWWQNUSA-N 2 2 275.352 2.087 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000040601338 174351323 /nfs/dbraw/zinc/35/13/23/174351323.db2.gz YWUHCMGPZKEZLA-ZDUSSCGKSA-N 2 2 293.367 2.035 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000040601338 174351325 /nfs/dbraw/zinc/35/13/25/174351325.db2.gz YWUHCMGPZKEZLA-ZDUSSCGKSA-N 2 2 293.367 2.035 20 5 CEBDLP C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000430542579 271387416 /nfs/dbraw/zinc/38/74/16/271387416.db2.gz KXPATGYQJNIKND-TZMCWYRMSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000430542579 271387417 /nfs/dbraw/zinc/38/74/17/271387417.db2.gz KXPATGYQJNIKND-TZMCWYRMSA-N 2 2 293.367 2.033 20 5 CEBDLP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530418 281063684 /nfs/dbraw/zinc/06/36/84/281063684.db2.gz WRLQNCDUZGHOJK-CABCVRRESA-N 2 2 293.367 2.014 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610530 281269315 /nfs/dbraw/zinc/26/93/15/281269315.db2.gz LBRZXHIVYFWDOX-IUODEOHRSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610530 281269317 /nfs/dbraw/zinc/26/93/17/281269317.db2.gz LBRZXHIVYFWDOX-IUODEOHRSA-N 2 2 293.367 2.175 20 5 CEBDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444831 527212315 /nfs/dbraw/zinc/21/23/15/527212315.db2.gz YIAJXXFBTJGSQV-JTQLQIEISA-N 2 2 283.759 2.419 20 5 CEBDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444831 527212321 /nfs/dbraw/zinc/21/23/21/527212321.db2.gz YIAJXXFBTJGSQV-JTQLQIEISA-N 2 2 283.759 2.419 20 5 CEBDLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962252 633804428 /nfs/dbraw/zinc/80/44/28/633804428.db2.gz KAAKUVNEKWSKSK-CMPLNLGQSA-N 2 2 280.372 2.345 20 5 CEBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000841032333 639623533 /nfs/dbraw/zinc/62/35/33/639623533.db2.gz COAHLJMAMTUUKI-JTQLQIEISA-N 2 2 283.759 2.337 20 5 CEBDLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841064079 639639131 /nfs/dbraw/zinc/63/91/31/639639131.db2.gz PABNSEHPPHFDPX-TVQRCGJNSA-N 2 2 283.759 2.336 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[NH+]1CCCC1 ZINC001173213041 815635293 /nfs/dbraw/zinc/63/52/93/815635293.db2.gz CZBBITOJJSJHJJ-CYBMUJFWSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[NH+](C)C ZINC000449066031 282086635 /nfs/dbraw/zinc/08/66/35/282086635.db2.gz YMIHRSXTEWNWMF-GFCCVEGCSA-N 2 2 279.384 2.456 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127205539 187289150 /nfs/dbraw/zinc/28/91/50/187289150.db2.gz AWTWRFCFWFDKIH-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127205539 187289152 /nfs/dbraw/zinc/28/91/52/187289152.db2.gz AWTWRFCFWFDKIH-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235206020 344589626 /nfs/dbraw/zinc/58/96/26/344589626.db2.gz JNKRNLUXFNRJOF-DGCLKSJQSA-N 2 2 263.341 2.388 20 5 CEBDLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577853 345266167 /nfs/dbraw/zinc/26/61/67/345266167.db2.gz IWIASBHJNNYHDC-WCQYABFASA-N 2 2 263.341 2.388 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000592438938 345353519 /nfs/dbraw/zinc/35/35/19/345353519.db2.gz WTXPXJFIVBQSMC-AWEZNQCLSA-N 2 2 275.352 2.359 20 5 CEBDLP CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489427 345359507 /nfs/dbraw/zinc/35/95/07/345359507.db2.gz VKNYNMWFGGMIMK-ZWNOBZJWSA-N 2 2 281.331 2.293 20 5 CEBDLP CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489427 345359510 /nfs/dbraw/zinc/35/95/10/345359510.db2.gz VKNYNMWFGGMIMK-ZWNOBZJWSA-N 2 2 281.331 2.293 20 5 CEBDLP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000594736511 345681943 /nfs/dbraw/zinc/68/19/43/345681943.db2.gz QQSUXKOTPJYSPE-VURMDHGXSA-N 2 2 263.341 2.277 20 5 CEBDLP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000594736511 345681947 /nfs/dbraw/zinc/68/19/47/345681947.db2.gz QQSUXKOTPJYSPE-VURMDHGXSA-N 2 2 263.341 2.277 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600681651 346672981 /nfs/dbraw/zinc/67/29/81/346672981.db2.gz ZVYJEIYTKVOIQH-WCQYABFASA-N 2 2 263.341 2.133 20 5 CEBDLP C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600677184 346672165 /nfs/dbraw/zinc/67/21/65/346672165.db2.gz AZRAJBZLNBJZNA-LJXYTEIVSA-N 2 2 275.352 2.338 20 5 CEBDLP Cc1ccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000602750796 347185182 /nfs/dbraw/zinc/18/51/82/347185182.db2.gz CTQLQMHMOJCOLB-MRXNPFEDSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000602750796 347185185 /nfs/dbraw/zinc/18/51/85/347185185.db2.gz CTQLQMHMOJCOLB-MRXNPFEDSA-N 2 2 289.379 2.429 20 5 CEBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000602752774 347186050 /nfs/dbraw/zinc/18/60/50/347186050.db2.gz UJMSLOVXUOKAEL-HNNXBMFYSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000602752774 347186052 /nfs/dbraw/zinc/18/60/52/347186052.db2.gz UJMSLOVXUOKAEL-HNNXBMFYSA-N 2 2 275.352 2.121 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020129167 361582343 /nfs/dbraw/zinc/58/23/43/361582343.db2.gz GXDICZMJMDZXCQ-UHFFFAOYSA-N 2 2 263.341 2.170 20 5 CEBDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246516885 370972594 /nfs/dbraw/zinc/97/25/94/370972594.db2.gz UJSUACSTYSRIIE-GXTWGEPZSA-N 2 2 277.368 2.415 20 5 CEBDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246516885 370972601 /nfs/dbraw/zinc/97/26/01/370972601.db2.gz UJSUACSTYSRIIE-GXTWGEPZSA-N 2 2 277.368 2.415 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261703326 296234271 /nfs/dbraw/zinc/23/42/71/296234271.db2.gz IQZDYAYORROQRM-WFASDCNBSA-N 2 2 275.352 2.341 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261703326 296234273 /nfs/dbraw/zinc/23/42/73/296234273.db2.gz IQZDYAYORROQRM-WFASDCNBSA-N 2 2 275.352 2.341 20 5 CEBDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414851539 394770175 /nfs/dbraw/zinc/77/01/75/394770175.db2.gz PFDDFQIYANKDJY-NSHDSACASA-N 2 2 269.320 2.197 20 5 CEBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414950466 394820082 /nfs/dbraw/zinc/82/00/82/394820082.db2.gz HYFSFFMRHCTPKG-YNDZIGPTSA-N 2 2 275.352 2.338 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415059200 394868249 /nfs/dbraw/zinc/86/82/49/394868249.db2.gz XKROZYUYMBUHFA-ZDUSSCGKSA-N 2 2 265.357 2.366 20 5 CEBDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423399206 394914789 /nfs/dbraw/zinc/91/47/89/394914789.db2.gz WDJWQNMRYYKBHK-VXGBXAGGSA-N 2 2 265.357 2.113 20 5 CEBDLP C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420420622 395375789 /nfs/dbraw/zinc/37/57/89/395375789.db2.gz YAXCFQZFKLCDQE-MNOVXSKESA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420420622 395375793 /nfs/dbraw/zinc/37/57/93/395375793.db2.gz YAXCFQZFKLCDQE-MNOVXSKESA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420330378 395331569 /nfs/dbraw/zinc/33/15/69/395331569.db2.gz IAEGOSOXEZBART-TZMCWYRMSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420330378 395331575 /nfs/dbraw/zinc/33/15/75/395331575.db2.gz IAEGOSOXEZBART-TZMCWYRMSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000420358255 395344884 /nfs/dbraw/zinc/34/48/84/395344884.db2.gz FETDREHUHNAWKM-SUNKGSAMSA-N 2 2 263.341 2.071 20 5 CEBDLP Cc1c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000572827042 395589103 /nfs/dbraw/zinc/58/91/03/395589103.db2.gz REITWTRUGHRLNC-INIZCTEOSA-N 2 2 289.379 2.479 20 5 CEBDLP Cc1c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000572827042 395589106 /nfs/dbraw/zinc/58/91/06/395589106.db2.gz REITWTRUGHRLNC-INIZCTEOSA-N 2 2 289.379 2.479 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253533 274240785 /nfs/dbraw/zinc/24/07/85/274240785.db2.gz WDYJKWVEWNLFFO-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253533 274240786 /nfs/dbraw/zinc/24/07/86/274240786.db2.gz WDYJKWVEWNLFFO-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155690307 289180333 /nfs/dbraw/zinc/18/03/33/289180333.db2.gz ZRCNSDKQUGDCHS-GFCCVEGCSA-N 2 2 274.324 2.451 20 5 CEBDLP C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000563951287 298811123 /nfs/dbraw/zinc/81/11/23/298811123.db2.gz XBYJPDRWLZBURL-WFASDCNBSA-N 2 2 293.367 2.094 20 5 CEBDLP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902428508 634649031 /nfs/dbraw/zinc/64/90/31/634649031.db2.gz DSJASCHUDAHXTI-YRGRVCCFSA-N 2 2 277.368 2.286 20 5 CEBDLP Cc1[nH+]cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1CSCC[NH3+] ZINC001168979700 811308171 /nfs/dbraw/zinc/30/81/71/811308171.db2.gz ZLTDJZNXTYFWEK-NEPJUHHUSA-N 2 2 298.412 2.001 20 5 CEBDLP O=[N+]([O-])c1c(NCC[NH+]2CCC2)ccc2c[nH+]ccc21 ZINC000599060189 346454240 /nfs/dbraw/zinc/45/42/40/346454240.db2.gz USQXNZILEYUZFF-UHFFFAOYSA-N 2 2 272.308 2.261 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600715443 346676663 /nfs/dbraw/zinc/67/66/63/346676663.db2.gz YMCGFXBUQITJQF-NTZNESFSSA-N 2 2 293.367 2.395 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721703 180031476 /nfs/dbraw/zinc/03/14/76/180031476.db2.gz SQWVXWYDNQTYST-WCQYABFASA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090721703 180031477 /nfs/dbraw/zinc/03/14/77/180031477.db2.gz SQWVXWYDNQTYST-WCQYABFASA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504041 366059898 /nfs/dbraw/zinc/05/98/98/366059898.db2.gz WVEPGYFLCIRLGH-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504041 366059904 /nfs/dbraw/zinc/05/99/04/366059904.db2.gz WVEPGYFLCIRLGH-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000192604397 369833929 /nfs/dbraw/zinc/83/39/29/369833929.db2.gz FXGLOBIEUGANHS-OAHLLOKOSA-N 2 2 286.335 2.459 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261712653 371708886 /nfs/dbraw/zinc/70/88/86/371708886.db2.gz JNTHPABOQKNFSC-KYOSRNDESA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261712653 371708889 /nfs/dbraw/zinc/70/88/89/371708889.db2.gz JNTHPABOQKNFSC-KYOSRNDESA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644124 371689945 /nfs/dbraw/zinc/68/99/45/371689945.db2.gz CQEOPOHMBBPQQP-WDEREUQCSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644124 371689953 /nfs/dbraw/zinc/68/99/53/371689953.db2.gz CQEOPOHMBBPQQP-WDEREUQCSA-N 2 2 281.331 2.293 20 5 CEBDLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414811705 375997265 /nfs/dbraw/zinc/99/72/65/375997265.db2.gz ZUKZBZGQJQERHQ-UHFFFAOYSA-N 2 2 251.330 2.202 20 5 CEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019221 376937067 /nfs/dbraw/zinc/93/70/67/376937067.db2.gz UTCWBKZOZLFFBF-UPJWGTAASA-N 2 2 293.367 2.012 20 5 CEBDLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423278402 377204839 /nfs/dbraw/zinc/20/48/39/377204839.db2.gz PVQFFDSHPOEFOB-ZWNOBZJWSA-N 2 2 263.341 2.291 20 5 CEBDLP C[NH2+]C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000347061810 218109207 /nfs/dbraw/zinc/10/92/07/218109207.db2.gz ZCUHWKMRANJTTG-UHFFFAOYSA-N 2 2 263.341 2.087 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414829623 394758066 /nfs/dbraw/zinc/75/80/66/394758066.db2.gz NRVXEGHIBTZLPI-JTQLQIEISA-N 2 2 283.759 2.337 20 5 CEBDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272557398 394774770 /nfs/dbraw/zinc/77/47/70/394774770.db2.gz DPQNBAGYJOIHLB-UKRRQHHQSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272557398 394774774 /nfs/dbraw/zinc/77/47/74/394774774.db2.gz DPQNBAGYJOIHLB-UKRRQHHQSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272557398 394774779 /nfs/dbraw/zinc/77/47/79/394774779.db2.gz DPQNBAGYJOIHLB-UKRRQHHQSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272557398 394774784 /nfs/dbraw/zinc/77/47/84/394774784.db2.gz DPQNBAGYJOIHLB-UKRRQHHQSA-N 2 2 275.352 2.121 20 5 CEBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414960338 394826119 /nfs/dbraw/zinc/82/61/19/394826119.db2.gz URCLPTSBTNVQAS-JTQLQIEISA-N 2 2 275.308 2.292 20 5 CEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170743 153292928 /nfs/dbraw/zinc/29/29/28/153292928.db2.gz FFXIKASICOUXJW-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170743 153292930 /nfs/dbraw/zinc/29/29/30/153292930.db2.gz FFXIKASICOUXJW-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP Cc1c(C[NH2+]C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000035648914 172325310 /nfs/dbraw/zinc/32/53/10/172325310.db2.gz YNKNZQJRQWOUGP-UHFFFAOYSA-N 2 2 263.341 2.087 20 5 CEBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397456445 270354177 /nfs/dbraw/zinc/35/41/77/270354177.db2.gz OIMKELZRTKXHKS-FOGDFJRCSA-N 2 2 283.397 2.462 20 5 CEBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397456445 270354181 /nfs/dbraw/zinc/35/41/81/270354181.db2.gz OIMKELZRTKXHKS-FOGDFJRCSA-N 2 2 283.397 2.462 20 5 CEBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397456447 270354309 /nfs/dbraw/zinc/35/43/09/270354309.db2.gz OIMKELZRTKXHKS-JFGNBEQYSA-N 2 2 283.397 2.462 20 5 CEBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397456447 270354310 /nfs/dbraw/zinc/35/43/10/270354310.db2.gz OIMKELZRTKXHKS-JFGNBEQYSA-N 2 2 283.397 2.462 20 5 CEBDLP C[C@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423342868 270901608 /nfs/dbraw/zinc/90/16/08/270901608.db2.gz ZBXFQTCTVVCKFS-NOZJJQNGSA-N 2 2 263.341 2.254 20 5 CEBDLP COC[C@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423447368 281045738 /nfs/dbraw/zinc/04/57/38/281045738.db2.gz ZPWOYKWGKDQNFJ-IUODEOHRSA-N 2 2 293.367 2.014 20 5 CEBDLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423464547 281048163 /nfs/dbraw/zinc/04/81/63/281048163.db2.gz MEPFDYWAFMFWPE-CMPLNLGQSA-N 2 2 251.330 2.291 20 5 CEBDLP Cc1cc(NCc2c[nH+]cn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357589154 534036930 /nfs/dbraw/zinc/03/69/30/534036930.db2.gz BTHAENITBVZBNS-UHFFFAOYSA-N 2 2 297.318 2.219 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[NH2+]C1 ZINC000903722500 635235967 /nfs/dbraw/zinc/23/59/67/635235967.db2.gz BNKBFGLKQZOFGR-ZDUSSCGKSA-N 2 2 277.368 2.416 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[NH2+]C1 ZINC000903722500 635235971 /nfs/dbraw/zinc/23/59/71/635235971.db2.gz BNKBFGLKQZOFGR-ZDUSSCGKSA-N 2 2 277.368 2.416 20 5 CEBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)[NH3+] ZINC000841076725 639647154 /nfs/dbraw/zinc/64/71/54/639647154.db2.gz NCFUFQNGFBSQHJ-JGVFFNPUSA-N 2 2 257.721 2.074 20 5 CEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC000866215033 647675526 /nfs/dbraw/zinc/67/55/26/647675526.db2.gz HIYZFSXGBTVFBU-LLVKDONJSA-N 2 2 292.314 2.151 20 5 CEBDLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000873228752 649599863 /nfs/dbraw/zinc/59/98/63/649599863.db2.gz VALZXPITUFOOLA-SBURYJAWSA-N 2 2 287.363 2.149 20 5 CEBDLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000873228752 649599866 /nfs/dbraw/zinc/59/98/66/649599866.db2.gz VALZXPITUFOOLA-SBURYJAWSA-N 2 2 287.363 2.149 20 5 CEBDLP Cc1[nH+]cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1CSCC[NH3+] ZINC001168979709 811307821 /nfs/dbraw/zinc/30/78/21/811307821.db2.gz ZLTDJZNXTYFWEK-VXGBXAGGSA-N 2 2 298.412 2.001 20 5 CEBDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168991608 811323386 /nfs/dbraw/zinc/32/33/86/811323386.db2.gz IAIPGBVHZXKTQW-MJBXVCDLSA-N 2 2 283.416 2.142 20 5 CEBDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168991608 811323392 /nfs/dbraw/zinc/32/33/92/811323392.db2.gz IAIPGBVHZXKTQW-MJBXVCDLSA-N 2 2 283.416 2.142 20 5 CEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[NH2+]C1CC1 ZINC000591577254 345265934 /nfs/dbraw/zinc/26/59/34/345265934.db2.gz GYXMCRVUODKSOF-GFCCVEGCSA-N 2 2 277.368 2.258 20 5 CEBDLP CCC[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591580555 345266820 /nfs/dbraw/zinc/26/68/20/345266820.db2.gz AACRBPYGADDXMP-GWCFXTLKSA-N 2 2 251.330 2.373 20 5 CEBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000593729047 345528522 /nfs/dbraw/zinc/52/85/22/345528522.db2.gz DIQZFCCXALKVRW-NHYWBVRUSA-N 2 2 293.342 2.295 20 5 CEBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000593729047 345528523 /nfs/dbraw/zinc/52/85/23/345528523.db2.gz DIQZFCCXALKVRW-NHYWBVRUSA-N 2 2 293.342 2.295 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000594734613 345681052 /nfs/dbraw/zinc/68/10/52/345681052.db2.gz CNTFBRTYNXFMTJ-UHFFFAOYSA-N 2 2 251.330 2.072 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000594734613 345681054 /nfs/dbraw/zinc/68/10/54/345681054.db2.gz CNTFBRTYNXFMTJ-UHFFFAOYSA-N 2 2 251.330 2.072 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000595903333 345910785 /nfs/dbraw/zinc/91/07/85/345910785.db2.gz VJSFIGSFNSFILB-SNVBAGLBSA-N 2 2 251.330 2.325 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595903333 345910789 /nfs/dbraw/zinc/91/07/89/345910789.db2.gz VJSFIGSFNSFILB-SNVBAGLBSA-N 2 2 251.330 2.325 20 5 CEBDLP CN(CC[NH+](C)C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599056429 346453833 /nfs/dbraw/zinc/45/38/33/346453833.db2.gz YLVLHLCSOAWOKJ-UHFFFAOYSA-N 2 2 274.324 2.141 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600681650 346673027 /nfs/dbraw/zinc/67/30/27/346673027.db2.gz ZVYJEIYTKVOIQH-DGCLKSJQSA-N 2 2 263.341 2.133 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357125715 233010353 /nfs/dbraw/zinc/01/03/53/233010353.db2.gz WBSGLFBLFIJPKC-SUXDSQMHSA-N 2 2 287.363 2.149 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357125715 233010355 /nfs/dbraw/zinc/01/03/55/233010355.db2.gz WBSGLFBLFIJPKC-SUXDSQMHSA-N 2 2 287.363 2.149 20 5 CEBDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272557388 283151590 /nfs/dbraw/zinc/15/15/90/283151590.db2.gz DPQNBAGYJOIHLB-DZGCQCFKSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272557388 283151592 /nfs/dbraw/zinc/15/15/92/283151592.db2.gz DPQNBAGYJOIHLB-DZGCQCFKSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272557388 283151593 /nfs/dbraw/zinc/15/15/93/283151593.db2.gz DPQNBAGYJOIHLB-DZGCQCFKSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272557388 283151595 /nfs/dbraw/zinc/15/15/95/283151595.db2.gz DPQNBAGYJOIHLB-DZGCQCFKSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH2+]C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347151339 368800953 /nfs/dbraw/zinc/80/09/53/368800953.db2.gz BDGRJNVYRGFWGH-RYWCDNDXSA-N 2 2 275.352 2.149 20 5 CEBDLP C[NH2+]C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347151339 368800960 /nfs/dbraw/zinc/80/09/60/368800960.db2.gz BDGRJNVYRGFWGH-RYWCDNDXSA-N 2 2 275.352 2.149 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352525409 369772185 /nfs/dbraw/zinc/77/21/85/369772185.db2.gz GIMGGHLMJGQTKV-OAHLLOKOSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352525409 369772189 /nfs/dbraw/zinc/77/21/89/369772189.db2.gz GIMGGHLMJGQTKV-OAHLLOKOSA-N 2 2 275.352 2.170 20 5 CEBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261591533 371666632 /nfs/dbraw/zinc/66/66/32/371666632.db2.gz LZTLBBKZBHVNRY-ZDUSSCGKSA-N 2 2 283.759 2.419 20 5 CEBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261591533 371666641 /nfs/dbraw/zinc/66/66/41/371666641.db2.gz LZTLBBKZBHVNRY-ZDUSSCGKSA-N 2 2 283.759 2.419 20 5 CEBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238884 375285192 /nfs/dbraw/zinc/28/51/92/375285192.db2.gz DFYNFJXZPLFYLH-KOLCDFICSA-N 2 2 267.304 2.046 20 5 CEBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238884 375285197 /nfs/dbraw/zinc/28/51/97/375285197.db2.gz DFYNFJXZPLFYLH-KOLCDFICSA-N 2 2 267.304 2.046 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423275906 377200127 /nfs/dbraw/zinc/20/01/27/377200127.db2.gz MHOJXZNNRIHFFQ-MFKMUULPSA-N 2 2 293.367 2.381 20 5 CEBDLP Cc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415052399 394865993 /nfs/dbraw/zinc/86/59/93/394865993.db2.gz LAXWDHSRZYCEHK-CYBMUJFWSA-N 2 2 265.357 2.366 20 5 CEBDLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422946528 394868792 /nfs/dbraw/zinc/86/87/92/394868792.db2.gz OXFJUNAABSTHRA-YPMHNXCESA-N 2 2 293.367 2.224 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415070582 394874694 /nfs/dbraw/zinc/87/46/94/394874694.db2.gz RDHOTSRTMYVMPX-CYBMUJFWSA-N 2 2 263.341 2.135 20 5 CEBDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000340104638 394978231 /nfs/dbraw/zinc/97/82/31/394978231.db2.gz JDLXJKMTVSUNQQ-DOMZBBRYSA-N 2 2 277.368 2.067 20 5 CEBDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000340104638 394978236 /nfs/dbraw/zinc/97/82/36/394978236.db2.gz JDLXJKMTVSUNQQ-DOMZBBRYSA-N 2 2 277.368 2.067 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427132213 395093424 /nfs/dbraw/zinc/09/34/24/395093424.db2.gz ANGCNMZMWCDNCV-ZIAGYGMSSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427132213 395093427 /nfs/dbraw/zinc/09/34/27/395093427.db2.gz ANGCNMZMWCDNCV-ZIAGYGMSSA-N 2 2 275.352 2.087 20 5 CEBDLP C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420330377 395331127 /nfs/dbraw/zinc/33/11/27/395331127.db2.gz IAEGOSOXEZBART-OCCSQVGLSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420330377 395331131 /nfs/dbraw/zinc/33/11/31/395331131.db2.gz IAEGOSOXEZBART-OCCSQVGLSA-N 2 2 293.367 2.033 20 5 CEBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000420354401 395343380 /nfs/dbraw/zinc/34/33/80/395343380.db2.gz CUNUGZPRDSLDLF-LBPRGKRZSA-N 2 2 251.330 2.058 20 5 CEBDLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127088 171012346 /nfs/dbraw/zinc/01/23/46/171012346.db2.gz KKFFQKPNLBAGSB-LBPRGKRZSA-N 2 2 263.341 2.341 20 5 CEBDLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218050 260298469 /nfs/dbraw/zinc/29/84/69/260298469.db2.gz FAOHKCMWIXGOAY-ZDUSSCGKSA-N 2 2 279.384 2.457 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000423187551 270865560 /nfs/dbraw/zinc/86/55/60/270865560.db2.gz KVZMYBCTCXYVNT-GJZGRUSLSA-N 2 2 289.379 2.258 20 5 CEBDLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000337291485 279179286 /nfs/dbraw/zinc/17/92/86/279179286.db2.gz FASPNLKDDPGJLT-UHFFFAOYSA-N 2 2 265.357 2.368 20 5 CEBDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000337291485 279179289 /nfs/dbraw/zinc/17/92/89/279179289.db2.gz FASPNLKDDPGJLT-UHFFFAOYSA-N 2 2 265.357 2.368 20 5 CEBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414934460 279297454 /nfs/dbraw/zinc/29/74/54/279297454.db2.gz URCLPTSBTNVQAS-SNVBAGLBSA-N 2 2 275.308 2.292 20 5 CEBDLP C[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255598049 289213509 /nfs/dbraw/zinc/21/35/09/289213509.db2.gz ZMXGCZLHAXPUHH-BRLPQQTGSA-N 2 2 289.379 2.492 20 5 CEBDLP C[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255598049 289213511 /nfs/dbraw/zinc/21/35/11/289213511.db2.gz ZMXGCZLHAXPUHH-BRLPQQTGSA-N 2 2 289.379 2.492 20 5 CEBDLP C[C@@]1(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC[NH2+]C1 ZINC000904322170 635567722 /nfs/dbraw/zinc/56/77/22/635567722.db2.gz QOKISYIUDWXOPT-MRXNPFEDSA-N 2 2 289.379 2.343 20 5 CEBDLP C[C@@]1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC[NH2+]C1 ZINC000904322170 635567728 /nfs/dbraw/zinc/56/77/28/635567728.db2.gz QOKISYIUDWXOPT-MRXNPFEDSA-N 2 2 289.379 2.343 20 5 CEBDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841076726 639646921 /nfs/dbraw/zinc/64/69/21/639646921.db2.gz NCFUFQNGFBSQHJ-SFYZADRCSA-N 2 2 257.721 2.074 20 5 CEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+](C)C ZINC000866356001 647753677 /nfs/dbraw/zinc/75/36/77/647753677.db2.gz ILFDLVVLRFPHCS-QWRGUYRKSA-N 2 2 283.347 2.205 20 5 CEBDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000883441915 652471503 /nfs/dbraw/zinc/47/15/03/652471503.db2.gz ACPDANRHPRXJSE-VXGBXAGGSA-N 2 2 283.759 2.464 20 5 CEBDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168991606 811322708 /nfs/dbraw/zinc/32/27/08/811322708.db2.gz IAIPGBVHZXKTQW-IHRRRGAJSA-N 2 2 283.416 2.142 20 5 CEBDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168991606 811322711 /nfs/dbraw/zinc/32/27/11/811322711.db2.gz IAIPGBVHZXKTQW-IHRRRGAJSA-N 2 2 283.416 2.142 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cc[nH+]c1 ZINC000449062689 282085708 /nfs/dbraw/zinc/08/57/08/282085708.db2.gz JURAJLPDRNEZNH-CYBMUJFWSA-N 2 2 288.351 2.402 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC000601334460 346823706 /nfs/dbraw/zinc/82/37/06/346823706.db2.gz KUDNFLKUNQBCDN-XHDPSFHLSA-N 2 2 293.342 2.308 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC000601334460 346823707 /nfs/dbraw/zinc/82/37/07/346823707.db2.gz KUDNFLKUNQBCDN-XHDPSFHLSA-N 2 2 293.342 2.308 20 5 CEBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000044364562 343470309 /nfs/dbraw/zinc/47/03/09/343470309.db2.gz RIPGBNRALXDJRW-CYBMUJFWSA-N 2 2 277.368 2.415 20 5 CEBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000044364562 343470310 /nfs/dbraw/zinc/47/03/10/343470310.db2.gz RIPGBNRALXDJRW-CYBMUJFWSA-N 2 2 277.368 2.415 20 5 CEBDLP C[C@@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000591581321 345266936 /nfs/dbraw/zinc/26/69/36/345266936.db2.gz PVXKZWBXKNBVRM-NOZJJQNGSA-N 2 2 263.341 2.254 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000596654538 346072873 /nfs/dbraw/zinc/07/28/73/346072873.db2.gz PYZFJRFKPFXAIE-QWRGUYRKSA-N 2 2 281.356 2.252 20 5 CEBDLP C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070178239 363048263 /nfs/dbraw/zinc/04/82/63/363048263.db2.gz AIEVMVZQFZPFSC-IUODEOHRSA-N 2 2 277.368 2.197 20 5 CEBDLP C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070178239 363048270 /nfs/dbraw/zinc/04/82/70/363048270.db2.gz AIEVMVZQFZPFSC-IUODEOHRSA-N 2 2 277.368 2.197 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000122319017 187026356 /nfs/dbraw/zinc/02/63/56/187026356.db2.gz VIRKPLISKMVXNQ-WCQYABFASA-N 2 2 275.352 2.310 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000122319017 187026357 /nfs/dbraw/zinc/02/63/57/187026357.db2.gz VIRKPLISKMVXNQ-WCQYABFASA-N 2 2 275.352 2.310 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000113512959 364901630 /nfs/dbraw/zinc/90/16/30/364901630.db2.gz UXUKLGKDKURCOJ-ZDUSSCGKSA-N 2 2 277.368 2.287 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000113512959 364901634 /nfs/dbraw/zinc/90/16/34/364901634.db2.gz UXUKLGKDKURCOJ-ZDUSSCGKSA-N 2 2 277.368 2.287 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346662413 368758825 /nfs/dbraw/zinc/75/88/25/368758825.db2.gz BVWPLVLAMOZFOD-NWDGAFQWSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346662413 368758828 /nfs/dbraw/zinc/75/88/28/368758828.db2.gz BVWPLVLAMOZFOD-NWDGAFQWSA-N 2 2 293.367 2.163 20 5 CEBDLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000276522030 193365924 /nfs/dbraw/zinc/36/59/24/193365924.db2.gz VJUINYMANZLHBX-HIFRSBDPSA-N 2 2 291.395 2.457 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261726045 371712020 /nfs/dbraw/zinc/71/20/20/371712020.db2.gz KSOBUJSIVDNABA-YRGRVCCFSA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261726045 371712026 /nfs/dbraw/zinc/71/20/26/371712026.db2.gz KSOBUJSIVDNABA-YRGRVCCFSA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017028 376931268 /nfs/dbraw/zinc/93/12/68/376931268.db2.gz NUJQJKYBSOASLB-NQBHXWOUSA-N 2 2 263.341 2.386 20 5 CEBDLP CCC[C@H]([NH2+]CC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423225350 377140419 /nfs/dbraw/zinc/14/04/19/377140419.db2.gz MKXWXCRTIBAUBV-ZDUSSCGKSA-N 2 2 251.330 2.245 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCC2 ZINC000423245888 377166722 /nfs/dbraw/zinc/16/67/22/377166722.db2.gz YXGLDKCDBUFBFR-WFASDCNBSA-N 2 2 275.352 2.314 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292807130 377292025 /nfs/dbraw/zinc/29/20/25/377292025.db2.gz OGYRKAKJYBZMTG-INIZCTEOSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292807130 377292029 /nfs/dbraw/zinc/29/20/29/377292029.db2.gz OGYRKAKJYBZMTG-INIZCTEOSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292807130 377292037 /nfs/dbraw/zinc/29/20/37/377292037.db2.gz OGYRKAKJYBZMTG-INIZCTEOSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292807130 377292044 /nfs/dbraw/zinc/29/20/44/377292044.db2.gz OGYRKAKJYBZMTG-INIZCTEOSA-N 2 2 289.379 2.431 20 5 CEBDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884857 377461041 /nfs/dbraw/zinc/46/10/41/377461041.db2.gz JOSUVDBDQMJZDI-WCQYABFASA-N 2 2 286.335 2.457 20 5 CEBDLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000313263296 249392669 /nfs/dbraw/zinc/39/26/69/249392669.db2.gz LSDWZXXOKUJWDP-NSHDSACASA-N 2 2 274.324 2.222 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000347106430 218122649 /nfs/dbraw/zinc/12/26/49/218122649.db2.gz LULYDYFHPAAHGP-DGCLKSJQSA-N 2 2 263.341 2.072 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000347106430 218122651 /nfs/dbraw/zinc/12/26/51/218122651.db2.gz LULYDYFHPAAHGP-DGCLKSJQSA-N 2 2 263.341 2.072 20 5 CEBDLP [NH3+][C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414883858 394787917 /nfs/dbraw/zinc/78/79/17/394787917.db2.gz DSJQCQGMDWLJMT-GFCCVEGCSA-N 2 2 269.732 2.075 20 5 CEBDLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414928852 394808903 /nfs/dbraw/zinc/80/89/03/394808903.db2.gz NNOCHJWMXNDQCV-CQSZACIVSA-N 2 2 277.368 2.463 20 5 CEBDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000415013112 394849317 /nfs/dbraw/zinc/84/93/17/394849317.db2.gz KCADZWQGIPLYAO-SFYZADRCSA-N 2 2 257.721 2.074 20 5 CEBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)o1 ZINC000415031272 394855051 /nfs/dbraw/zinc/85/50/51/394855051.db2.gz GDFYIMFWMZWMNL-VIKVFOODSA-N 2 2 299.330 2.162 20 5 CEBDLP CC(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000415031635 394855879 /nfs/dbraw/zinc/85/58/79/394855879.db2.gz GMQQMDPMMQFDML-NHAGDIPZSA-N 2 2 275.352 2.026 20 5 CEBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902988 395274631 /nfs/dbraw/zinc/27/46/31/395274631.db2.gz ODCVLABKDNKFCQ-WBMJQRKESA-N 2 2 289.379 2.210 20 5 CEBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902988 395274633 /nfs/dbraw/zinc/27/46/33/395274633.db2.gz ODCVLABKDNKFCQ-WBMJQRKESA-N 2 2 289.379 2.210 20 5 CEBDLP C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420327699 395329980 /nfs/dbraw/zinc/32/99/80/395329980.db2.gz DOUUTLKYGURQOQ-QWHCGFSZSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420327699 395329983 /nfs/dbraw/zinc/32/99/83/395329983.db2.gz DOUUTLKYGURQOQ-QWHCGFSZSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177069 173010767 /nfs/dbraw/zinc/01/07/67/173010767.db2.gz RLLDEGCUDLLUGW-LBPRGKRZSA-N 2 2 263.341 2.341 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420362052 270527258 /nfs/dbraw/zinc/52/72/58/270527258.db2.gz HLTVPNOERZBFOZ-UHIISALHSA-N 2 2 263.341 2.243 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420362052 270527260 /nfs/dbraw/zinc/52/72/60/270527260.db2.gz HLTVPNOERZBFOZ-UHIISALHSA-N 2 2 263.341 2.243 20 5 CEBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000424330519 281150772 /nfs/dbraw/zinc/15/07/72/281150772.db2.gz IFVMHOFFLRBHEV-GHMZBOCLSA-N 2 2 290.323 2.096 20 5 CEBDLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800177 635276736 /nfs/dbraw/zinc/27/67/36/635276736.db2.gz USRUNZWBCZVPON-ZBFHGGJFSA-N 2 2 289.379 2.341 20 5 CEBDLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800177 635276740 /nfs/dbraw/zinc/27/67/40/635276740.db2.gz USRUNZWBCZVPON-ZBFHGGJFSA-N 2 2 289.379 2.341 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903883399 635326444 /nfs/dbraw/zinc/32/64/44/635326444.db2.gz VMXSTSJORJISDM-ZDUSSCGKSA-N 2 2 289.379 2.343 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903883399 635326449 /nfs/dbraw/zinc/32/64/49/635326449.db2.gz VMXSTSJORJISDM-ZDUSSCGKSA-N 2 2 289.379 2.343 20 5 CEBDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905123508 635826926 /nfs/dbraw/zinc/82/69/26/635826926.db2.gz YZOVQFBVDJAXQL-CYBMUJFWSA-N 2 2 277.368 2.078 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841062263 639638300 /nfs/dbraw/zinc/63/83/00/639638300.db2.gz VBXXYMNTUQVEGO-ONGXEEELSA-N 2 2 283.759 2.478 20 5 CEBDLP CC1(C)CC[NH2+]CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000866699922 647873487 /nfs/dbraw/zinc/87/34/87/647873487.db2.gz QJBNUKDRVZOCIP-UHFFFAOYSA-N 2 2 293.367 2.048 20 5 CEBDLP CC1(C)CC[NH2+]CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000866699922 647873490 /nfs/dbraw/zinc/87/34/90/647873490.db2.gz QJBNUKDRVZOCIP-UHFFFAOYSA-N 2 2 293.367 2.048 20 5 CEBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000873297232 649632640 /nfs/dbraw/zinc/63/26/40/649632640.db2.gz UTCWBKZOZLFFBF-RWMBFGLXSA-N 2 2 293.367 2.012 20 5 CEBDLP C[C@]1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC001120263097 815208959 /nfs/dbraw/zinc/20/89/59/815208959.db2.gz JZIFYFBYUUDOSY-INIZCTEOSA-N 2 2 289.379 2.343 20 5 CEBDLP C[C@]1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC001120263097 815208961 /nfs/dbraw/zinc/20/89/61/815208961.db2.gz JZIFYFBYUUDOSY-INIZCTEOSA-N 2 2 289.379 2.343 20 5 CEBDLP CC(C)[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169054292 811358569 /nfs/dbraw/zinc/35/85/69/811358569.db2.gz LLIVJFWEGPSBHL-HIFRSBDPSA-N 2 2 283.416 2.236 20 5 CEBDLP CC(C)[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169054292 811358577 /nfs/dbraw/zinc/35/85/77/811358577.db2.gz LLIVJFWEGPSBHL-HIFRSBDPSA-N 2 2 283.416 2.236 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334744 346823643 /nfs/dbraw/zinc/82/36/43/346823643.db2.gz NBRPHVRFBAYZCO-TZMCWYRMSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334744 346823644 /nfs/dbraw/zinc/82/36/44/346823644.db2.gz NBRPHVRFBAYZCO-TZMCWYRMSA-N 2 2 275.352 2.169 20 5 CEBDLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000037266986 361902808 /nfs/dbraw/zinc/90/28/08/361902808.db2.gz XEGDIYRWPPLABT-NSHDSACASA-N 2 2 263.341 2.340 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CCC2 ZINC000591577232 345265835 /nfs/dbraw/zinc/26/58/35/345265835.db2.gz DUKLNABTAXUAQV-HNNXBMFYSA-N 2 2 275.352 2.314 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000595005121 345724885 /nfs/dbraw/zinc/72/48/85/345724885.db2.gz YAMIBCHWQZRJBZ-LLVKDONJSA-N 2 2 290.323 2.151 20 5 CEBDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618207 188154660 /nfs/dbraw/zinc/15/46/60/188154660.db2.gz XWCJNPZOJKGKBK-RISCZKNCSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618207 188154662 /nfs/dbraw/zinc/15/46/62/188154662.db2.gz XWCJNPZOJKGKBK-RISCZKNCSA-N 2 2 263.341 2.340 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000582132112 366868157 /nfs/dbraw/zinc/86/81/57/366868157.db2.gz BAAOAALUVUDBGH-CYBMUJFWSA-N 2 2 272.308 2.068 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261703322 371706817 /nfs/dbraw/zinc/70/68/17/371706817.db2.gz IQZDYAYORROQRM-IUODEOHRSA-N 2 2 275.352 2.341 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261703322 371706821 /nfs/dbraw/zinc/70/68/21/371706821.db2.gz IQZDYAYORROQRM-IUODEOHRSA-N 2 2 275.352 2.341 20 5 CEBDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998691 374120141 /nfs/dbraw/zinc/12/01/41/374120141.db2.gz GAIWUEYRQQDBLV-SWLSCSKDSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998691 374120146 /nfs/dbraw/zinc/12/01/46/374120146.db2.gz GAIWUEYRQQDBLV-SWLSCSKDSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998691 374120152 /nfs/dbraw/zinc/12/01/52/374120152.db2.gz GAIWUEYRQQDBLV-SWLSCSKDSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998691 374120157 /nfs/dbraw/zinc/12/01/57/374120157.db2.gz GAIWUEYRQQDBLV-SWLSCSKDSA-N 2 2 277.368 2.367 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000314145453 376764817 /nfs/dbraw/zinc/76/48/17/376764817.db2.gz KEALKHBPXXBKIX-STQMWFEESA-N 2 2 293.342 2.450 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000314145453 376764822 /nfs/dbraw/zinc/76/48/22/376764822.db2.gz KEALKHBPXXBKIX-STQMWFEESA-N 2 2 293.342 2.450 20 5 CEBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423145680 377047376 /nfs/dbraw/zinc/04/73/76/377047376.db2.gz LZAVDKMQHARWRZ-OBJOEFQTSA-N 2 2 293.367 2.012 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423327391 377260793 /nfs/dbraw/zinc/26/07/93/377260793.db2.gz RKRJQHZVDRJGQZ-MFKMUULPSA-N 2 2 293.367 2.381 20 5 CEBDLP CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000430950716 377570340 /nfs/dbraw/zinc/57/03/40/377570340.db2.gz RZWKCXZCTGSNBS-AWEZNQCLSA-N 2 2 293.367 2.048 20 5 CEBDLP CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000430950716 377570347 /nfs/dbraw/zinc/57/03/47/377570347.db2.gz RZWKCXZCTGSNBS-AWEZNQCLSA-N 2 2 293.367 2.048 20 5 CEBDLP CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[NH2+]C1 ZINC000347031187 218097798 /nfs/dbraw/zinc/09/77/98/218097798.db2.gz YIFJVCCCLDXZGC-HNNXBMFYSA-N 2 2 277.368 2.477 20 5 CEBDLP CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[NH2+]C1 ZINC000347031187 218097799 /nfs/dbraw/zinc/09/77/99/218097799.db2.gz YIFJVCCCLDXZGC-HNNXBMFYSA-N 2 2 277.368 2.477 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000515483316 379223646 /nfs/dbraw/zinc/22/36/46/379223646.db2.gz KVZIDGCSMICWSH-GFCCVEGCSA-N 2 2 275.352 2.484 20 5 CEBDLP C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000414915181 394802211 /nfs/dbraw/zinc/80/22/11/394802211.db2.gz YXLAYSVRGBACSM-GFCCVEGCSA-N 2 2 269.370 2.136 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423366844 394902451 /nfs/dbraw/zinc/90/24/51/394902451.db2.gz QRAYLXLUCPDGMQ-SCRDCRAPSA-N 2 2 277.368 2.113 20 5 CEBDLP Cc1c(C[NH+]2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000193823463 395416543 /nfs/dbraw/zinc/41/65/43/395416543.db2.gz KTTLNXRHDSLHRB-UHFFFAOYSA-N 2 2 277.368 2.429 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746594 174391821 /nfs/dbraw/zinc/39/18/21/174391821.db2.gz NQFGEQBACSLVEH-PBWFPOADSA-N 2 2 275.352 2.310 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746594 174391822 /nfs/dbraw/zinc/39/18/22/174391822.db2.gz NQFGEQBACSLVEH-PBWFPOADSA-N 2 2 275.352 2.310 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414900631 276377159 /nfs/dbraw/zinc/37/71/59/276377159.db2.gz DURGXFHCDKDWFH-CYBMUJFWSA-N 2 2 293.367 2.225 20 5 CEBDLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423464551 281048116 /nfs/dbraw/zinc/04/81/16/281048116.db2.gz MEPFDYWAFMFWPE-ZYHUDNBSSA-N 2 2 251.330 2.291 20 5 CEBDLP CC1(C)CC[NH2+]CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000866700241 647874036 /nfs/dbraw/zinc/87/40/36/647874036.db2.gz URGMAFKKZZJRMD-UHFFFAOYSA-N 2 2 293.367 2.048 20 5 CEBDLP CC1(C)CC[NH2+]CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000866700241 647874039 /nfs/dbraw/zinc/87/40/39/647874039.db2.gz URGMAFKKZZJRMD-UHFFFAOYSA-N 2 2 293.367 2.048 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324533 346821468 /nfs/dbraw/zinc/82/14/68/346821468.db2.gz PODLLADJRZZVGQ-CYBMUJFWSA-N 2 2 263.341 2.298 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324533 346821470 /nfs/dbraw/zinc/82/14/70/346821470.db2.gz PODLLADJRZZVGQ-CYBMUJFWSA-N 2 2 263.341 2.298 20 5 CEBDLP CC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000037977178 361969521 /nfs/dbraw/zinc/96/95/21/361969521.db2.gz SFVGHZXBGNKHLM-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000591278548 345237518 /nfs/dbraw/zinc/23/75/18/345237518.db2.gz OQWMUZFIZRXIML-LLVKDONJSA-N 2 2 283.759 2.480 20 5 CEBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000592437244 345353333 /nfs/dbraw/zinc/35/33/33/345353333.db2.gz DGXTVCLJJGGWSL-CQSZACIVSA-N 2 2 275.352 2.359 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCC2 ZINC000596653861 346073075 /nfs/dbraw/zinc/07/30/75/346073075.db2.gz LWYRLNBBYYCXGT-YWCUFVOSSA-N 2 2 287.363 2.314 20 5 CEBDLP C[C@H]1CC[N@H+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602592408 347091491 /nfs/dbraw/zinc/09/14/91/347091491.db2.gz FCEZHNITCQUTFZ-ZDUSSCGKSA-N 2 2 277.368 2.069 20 5 CEBDLP C[C@H]1CC[N@@H+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602592408 347091494 /nfs/dbraw/zinc/09/14/94/347091494.db2.gz FCEZHNITCQUTFZ-ZDUSSCGKSA-N 2 2 277.368 2.069 20 5 CEBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000600707376 346674211 /nfs/dbraw/zinc/67/42/11/346674211.db2.gz HFIYGLHKGJVQBM-LEWSCRJBSA-N 2 2 263.341 2.386 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600678867 346671970 /nfs/dbraw/zinc/67/19/70/346671970.db2.gz NYCWBWHMUAZNDD-VFQAQYNWSA-N 2 2 287.363 2.482 20 5 CEBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600710481 346675713 /nfs/dbraw/zinc/67/57/13/346675713.db2.gz RPNIUBIEDNJVNI-LEWSCRJBSA-N 2 2 263.341 2.386 20 5 CEBDLP Cc1c(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000070177628 363048448 /nfs/dbraw/zinc/04/84/48/363048448.db2.gz NLKMYQRMCPCUBS-ABAIWWIYSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000070177628 363048454 /nfs/dbraw/zinc/04/84/54/363048454.db2.gz NLKMYQRMCPCUBS-ABAIWWIYSA-N 2 2 277.368 2.462 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540436 369778708 /nfs/dbraw/zinc/77/87/08/369778708.db2.gz LALAWBGPOCQQQN-HNNXBMFYSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540436 369778712 /nfs/dbraw/zinc/77/87/12/369778712.db2.gz LALAWBGPOCQQQN-HNNXBMFYSA-N 2 2 275.352 2.170 20 5 CEBDLP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000414790585 375973212 /nfs/dbraw/zinc/97/32/12/375973212.db2.gz POGWUVDCXZTXHV-DAXSKMNVSA-N 2 2 275.352 2.421 20 5 CEBDLP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000414790585 375973218 /nfs/dbraw/zinc/97/32/18/375973218.db2.gz POGWUVDCXZTXHV-DAXSKMNVSA-N 2 2 275.352 2.421 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423187549 377100073 /nfs/dbraw/zinc/10/00/73/377100073.db2.gz KVZMYBCTCXYVNT-CABCVRRESA-N 2 2 289.379 2.258 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563136219 377104856 /nfs/dbraw/zinc/10/48/56/377104856.db2.gz MQSTWYOOHPHWHP-HNNXBMFYSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563136219 377104863 /nfs/dbraw/zinc/10/48/63/377104863.db2.gz MQSTWYOOHPHWHP-HNNXBMFYSA-N 2 2 275.352 2.170 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423236259 377155623 /nfs/dbraw/zinc/15/56/23/377155623.db2.gz NVLVRUZHVAIJRK-DGCLKSJQSA-N 2 2 293.367 2.396 20 5 CEBDLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423244443 377164756 /nfs/dbraw/zinc/16/47/56/377164756.db2.gz XMMLOUIQBRFZRL-VXGBXAGGSA-N 2 2 263.341 2.306 20 5 CEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430966974 377579526 /nfs/dbraw/zinc/57/95/26/377579526.db2.gz QQBPWQZACKCCEL-LBPRGKRZSA-N 2 2 293.367 2.163 20 5 CEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430966974 377579531 /nfs/dbraw/zinc/57/95/31/377579531.db2.gz QQBPWQZACKCCEL-LBPRGKRZSA-N 2 2 293.367 2.163 20 5 CEBDLP C[NH+](C)CCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000554875708 380800007 /nfs/dbraw/zinc/80/00/07/380800007.db2.gz NUNMYZWAJKKXLT-RMKNXTFCSA-N 2 2 277.368 2.492 20 5 CEBDLP C[NH+](C)CCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000554875708 380800011 /nfs/dbraw/zinc/80/00/11/380800011.db2.gz NUNMYZWAJKKXLT-RMKNXTFCSA-N 2 2 277.368 2.492 20 5 CEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414970118 394831883 /nfs/dbraw/zinc/83/18/83/394831883.db2.gz JYZVTKDYCQOWHT-ZDUSSCGKSA-N 2 2 281.331 2.212 20 5 CEBDLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423570074 394953673 /nfs/dbraw/zinc/95/36/73/394953673.db2.gz WUCXFEHCMKPWOE-YPMHNXCESA-N 2 2 263.341 2.388 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000132642805 394934742 /nfs/dbraw/zinc/93/47/42/394934742.db2.gz AMSVUHUMCAAQJB-UHFFFAOYSA-N 2 2 286.335 2.456 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000132642805 394934744 /nfs/dbraw/zinc/93/47/44/394934744.db2.gz AMSVUHUMCAAQJB-UHFFFAOYSA-N 2 2 286.335 2.456 20 5 CEBDLP COc1ccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000420359136 395346331 /nfs/dbraw/zinc/34/63/31/395346331.db2.gz FZNVZFOEEZDFSB-ZIBATOQPSA-N 2 2 293.367 2.080 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602440 153234434 /nfs/dbraw/zinc/23/44/34/153234434.db2.gz WCAGJHXKQIITNO-FPMFFAJLSA-N 2 2 275.352 2.149 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602440 153234436 /nfs/dbraw/zinc/23/44/36/153234436.db2.gz WCAGJHXKQIITNO-FPMFFAJLSA-N 2 2 275.352 2.149 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193602440 153234438 /nfs/dbraw/zinc/23/44/38/153234438.db2.gz WCAGJHXKQIITNO-FPMFFAJLSA-N 2 2 275.352 2.149 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193602440 153234440 /nfs/dbraw/zinc/23/44/40/153234440.db2.gz WCAGJHXKQIITNO-FPMFFAJLSA-N 2 2 275.352 2.149 20 5 CEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261778539 287152588 /nfs/dbraw/zinc/15/25/88/287152588.db2.gz PIMLVSPVIQUPFE-SWLSCSKDSA-N 2 2 275.352 2.341 20 5 CEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261778539 287152589 /nfs/dbraw/zinc/15/25/89/287152589.db2.gz PIMLVSPVIQUPFE-SWLSCSKDSA-N 2 2 275.352 2.341 20 5 CEBDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133544869 280000263 /nfs/dbraw/zinc/00/02/63/280000263.db2.gz YAAZDNIASYIDFJ-AWEZNQCLSA-N 2 2 289.379 2.437 20 5 CEBDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133544869 280000265 /nfs/dbraw/zinc/00/02/65/280000265.db2.gz YAAZDNIASYIDFJ-AWEZNQCLSA-N 2 2 289.379 2.437 20 5 CEBDLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133544869 280000267 /nfs/dbraw/zinc/00/02/67/280000267.db2.gz YAAZDNIASYIDFJ-AWEZNQCLSA-N 2 2 289.379 2.437 20 5 CEBDLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133544869 280000268 /nfs/dbraw/zinc/00/02/68/280000268.db2.gz YAAZDNIASYIDFJ-AWEZNQCLSA-N 2 2 289.379 2.437 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423331103 281024454 /nfs/dbraw/zinc/02/44/54/281024454.db2.gz UQXVREGBBHMCQN-GXFFZTMASA-N 2 2 263.341 2.291 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009147 290026590 /nfs/dbraw/zinc/02/65/90/290026590.db2.gz CCCMGOBMTSEDBQ-COPLHBTASA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009147 290026593 /nfs/dbraw/zinc/02/65/93/290026593.db2.gz CCCMGOBMTSEDBQ-COPLHBTASA-N 2 2 263.341 2.196 20 5 CEBDLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000163843007 295131150 /nfs/dbraw/zinc/13/11/50/295131150.db2.gz YQWNWUMIRDLTGV-YPMHNXCESA-N 2 2 293.367 2.020 20 5 CEBDLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000163843007 295131151 /nfs/dbraw/zinc/13/11/51/295131151.db2.gz YQWNWUMIRDLTGV-YPMHNXCESA-N 2 2 293.367 2.020 20 5 CEBDLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535026873 298180127 /nfs/dbraw/zinc/18/01/27/298180127.db2.gz XANLVCWBUPWVNL-UHFFFAOYSA-N 2 2 286.335 2.158 20 5 CEBDLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535026873 298180129 /nfs/dbraw/zinc/18/01/29/298180129.db2.gz XANLVCWBUPWVNL-UHFFFAOYSA-N 2 2 286.335 2.158 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC[NH+](C)C ZINC000584199527 327063325 /nfs/dbraw/zinc/06/33/25/327063325.db2.gz LHJWEKHGPBFOSZ-UHFFFAOYSA-N 2 2 265.357 2.287 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC[NH+](C)C ZINC000584199527 327063326 /nfs/dbraw/zinc/06/33/26/327063326.db2.gz LHJWEKHGPBFOSZ-UHFFFAOYSA-N 2 2 265.357 2.287 20 5 CEBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050249427 623374444 /nfs/dbraw/zinc/37/44/44/623374444.db2.gz XVBZWXGHJQFXBO-VIFPVBQESA-N 2 2 269.732 2.029 20 5 CEBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050249427 623374448 /nfs/dbraw/zinc/37/44/48/623374448.db2.gz XVBZWXGHJQFXBO-VIFPVBQESA-N 2 2 269.732 2.029 20 5 CEBDLP C[C@]1(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC[NH2+]C1 ZINC000904322169 635567644 /nfs/dbraw/zinc/56/76/44/635567644.db2.gz QOKISYIUDWXOPT-INIZCTEOSA-N 2 2 289.379 2.343 20 5 CEBDLP C[C@]1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC[NH2+]C1 ZINC000904322169 635567651 /nfs/dbraw/zinc/56/76/51/635567651.db2.gz QOKISYIUDWXOPT-INIZCTEOSA-N 2 2 289.379 2.343 20 5 CEBDLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841064699 632383156 /nfs/dbraw/zinc/38/31/56/632383156.db2.gz TVDSJLSMUUCZGT-SKDRFNHKSA-N 2 2 283.759 2.336 20 5 CEBDLP CC(C)([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841031610 639623461 /nfs/dbraw/zinc/62/34/61/639623461.db2.gz YAAZTXJFFWQUHB-UHFFFAOYSA-N 2 2 257.721 2.075 20 5 CEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057858 640259458 /nfs/dbraw/zinc/25/94/58/640259458.db2.gz MRTSRRRUGCOMQJ-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057858 640259460 /nfs/dbraw/zinc/25/94/60/640259460.db2.gz MRTSRRRUGCOMQJ-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019013 649242799 /nfs/dbraw/zinc/24/27/99/649242799.db2.gz RWMPADMRTAYWAJ-JTQLQIEISA-N 2 2 278.287 2.281 20 5 CEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1[nH+]ccn1C ZINC001173228962 815631269 /nfs/dbraw/zinc/63/12/69/815631269.db2.gz OQQJYLATOMDRHQ-LBPRGKRZSA-N 2 2 288.351 2.092 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449131014 282111899 /nfs/dbraw/zinc/11/18/99/282111899.db2.gz JOCYCGBFVMUMIF-TZMCWYRMSA-N 2 2 289.379 2.352 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000449131014 282111902 /nfs/dbraw/zinc/11/19/02/282111902.db2.gz JOCYCGBFVMUMIF-TZMCWYRMSA-N 2 2 289.379 2.352 20 5 CEBDLP O=[N+]([O-])c1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353212 343470254 /nfs/dbraw/zinc/47/02/54/343470254.db2.gz SLMAIINFYBCAOY-UHFFFAOYSA-N 2 2 274.324 2.361 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282894 345237343 /nfs/dbraw/zinc/23/73/43/345237343.db2.gz XOGRTCWQLUQGNZ-ZDUSSCGKSA-N 2 2 275.352 2.359 20 5 CEBDLP CC1([NH3+])CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000592431639 345352689 /nfs/dbraw/zinc/35/26/89/345352689.db2.gz UOODUKKBJXQLOM-XQRVVYSFSA-N 2 2 275.352 2.421 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000595010876 345726095 /nfs/dbraw/zinc/72/60/95/345726095.db2.gz ZNPDQBYWIQBYLE-DGCLKSJQSA-N 2 2 293.367 2.348 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000595010876 345726097 /nfs/dbraw/zinc/72/60/97/345726097.db2.gz ZNPDQBYWIQBYLE-DGCLKSJQSA-N 2 2 293.367 2.348 20 5 CEBDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000596652822 346072172 /nfs/dbraw/zinc/07/21/72/346072172.db2.gz IKFZRAZGWCENHN-WDEREUQCSA-N 2 2 251.330 2.162 20 5 CEBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000598717684 346406888 /nfs/dbraw/zinc/40/68/88/346406888.db2.gz HOIRUVIWAIUHEM-WQDDEOEWSA-N 2 2 287.363 2.421 20 5 CEBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000598717684 346406890 /nfs/dbraw/zinc/40/68/90/346406890.db2.gz HOIRUVIWAIUHEM-WQDDEOEWSA-N 2 2 287.363 2.421 20 5 CEBDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000598995462 346444162 /nfs/dbraw/zinc/44/41/62/346444162.db2.gz YALQUXRACMPNGO-LLVKDONJSA-N 2 2 283.397 2.478 20 5 CEBDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000598995462 346444167 /nfs/dbraw/zinc/44/41/67/346444167.db2.gz YALQUXRACMPNGO-LLVKDONJSA-N 2 2 283.397 2.478 20 5 CEBDLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600710059 346675027 /nfs/dbraw/zinc/67/50/27/346675027.db2.gz NSVDVRMSKGNLCU-MDZLAQPJSA-N 2 2 263.341 2.386 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600715441 346676802 /nfs/dbraw/zinc/67/68/02/346676802.db2.gz YMCGFXBUQITJQF-GMXVVIOVSA-N 2 2 293.367 2.395 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000122318352 187026327 /nfs/dbraw/zinc/02/63/27/187026327.db2.gz VIRKPLISKMVXNQ-YPMHNXCESA-N 2 2 275.352 2.310 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000122318352 187026328 /nfs/dbraw/zinc/02/63/28/187026328.db2.gz VIRKPLISKMVXNQ-YPMHNXCESA-N 2 2 275.352 2.310 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000342478512 216366963 /nfs/dbraw/zinc/36/69/63/216366963.db2.gz JUVIWTOLOGMNPO-UHFFFAOYSA-N 2 2 286.335 2.240 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000342478512 216366966 /nfs/dbraw/zinc/36/69/66/216366966.db2.gz JUVIWTOLOGMNPO-UHFFFAOYSA-N 2 2 286.335 2.240 20 5 CEBDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206401 370951160 /nfs/dbraw/zinc/95/11/60/370951160.db2.gz SNAOZGIMVTTWSQ-BBRMVZONSA-N 2 2 291.395 2.457 20 5 CEBDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206401 370951167 /nfs/dbraw/zinc/95/11/67/370951167.db2.gz SNAOZGIMVTTWSQ-BBRMVZONSA-N 2 2 291.395 2.457 20 5 CEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000228474688 370402998 /nfs/dbraw/zinc/40/29/98/370402998.db2.gz UPWAGWGMAHQWGF-IJLUTSLNSA-N 2 2 281.381 2.216 20 5 CEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000228474688 370403004 /nfs/dbraw/zinc/40/30/04/370403004.db2.gz UPWAGWGMAHQWGF-IJLUTSLNSA-N 2 2 281.381 2.216 20 5 CEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000228474697 370404002 /nfs/dbraw/zinc/40/40/02/370404002.db2.gz UPWAGWGMAHQWGF-QJPTWQEYSA-N 2 2 281.381 2.216 20 5 CEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000228474697 370404006 /nfs/dbraw/zinc/40/40/06/370404006.db2.gz UPWAGWGMAHQWGF-QJPTWQEYSA-N 2 2 281.381 2.216 20 5 CEBDLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423177539 377087684 /nfs/dbraw/zinc/08/76/84/377087684.db2.gz AWEXQKNHGJXFMP-TZMCWYRMSA-N 2 2 263.341 2.388 20 5 CEBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)c1 ZINC000423299061 377226939 /nfs/dbraw/zinc/22/69/39/377226939.db2.gz AZXIGZSSGHNWGL-QGZVFWFLSA-N 2 2 297.358 2.493 20 5 CEBDLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423314817 377244011 /nfs/dbraw/zinc/24/40/11/377244011.db2.gz WPCNLHKXUICSIO-NSHDSACASA-N 2 2 251.330 2.245 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422719944 394739415 /nfs/dbraw/zinc/73/94/15/394739415.db2.gz RQSAXAINHPDBSI-ZIAGYGMSSA-N 2 2 293.367 2.353 20 5 CEBDLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414935044 394810844 /nfs/dbraw/zinc/81/08/44/394810844.db2.gz VVRZUROBMWEKAN-AWEZNQCLSA-N 2 2 277.368 2.463 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415054660 394865815 /nfs/dbraw/zinc/86/58/15/394865815.db2.gz QGGLZJHHSFMHBJ-DLBZAZTESA-N 2 2 297.358 2.440 20 5 CEBDLP CC1(C)[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415030093 394854945 /nfs/dbraw/zinc/85/49/45/394854945.db2.gz BUNRFGHTWVVZSU-HZRUHFOJSA-N 2 2 275.352 2.338 20 5 CEBDLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423543391 394948445 /nfs/dbraw/zinc/94/84/45/394948445.db2.gz BRZFGPQFBZGUOG-AAEUAGOBSA-N 2 2 263.341 2.388 20 5 CEBDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000340104641 394978474 /nfs/dbraw/zinc/97/84/74/394978474.db2.gz JDLXJKMTVSUNQQ-SWLSCSKDSA-N 2 2 277.368 2.067 20 5 CEBDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000340104641 394978479 /nfs/dbraw/zinc/97/84/79/394978479.db2.gz JDLXJKMTVSUNQQ-SWLSCSKDSA-N 2 2 277.368 2.067 20 5 CEBDLP Cc1c(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000420371771 395358828 /nfs/dbraw/zinc/35/88/28/395358828.db2.gz PRDOZRSADNQHGF-ITDIGPHOSA-N 2 2 277.368 2.379 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420394981 395369133 /nfs/dbraw/zinc/36/91/33/395369133.db2.gz SNYBWXXODTWIJX-TZMCWYRMSA-N 2 2 293.367 2.014 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420394981 395369138 /nfs/dbraw/zinc/36/91/38/395369138.db2.gz SNYBWXXODTWIJX-TZMCWYRMSA-N 2 2 293.367 2.014 20 5 CEBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000420358258 395344965 /nfs/dbraw/zinc/34/49/65/395344965.db2.gz FETDREHUHNAWKM-UHIISALHSA-N 2 2 263.341 2.071 20 5 CEBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000420361734 395348244 /nfs/dbraw/zinc/34/82/44/395348244.db2.gz IIGSCKVSMSAJDA-UHIISALHSA-N 2 2 263.341 2.071 20 5 CEBDLP CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000422950622 270805030 /nfs/dbraw/zinc/80/50/30/270805030.db2.gz YOYIWWZKUUHNCM-STQMWFEESA-N 2 2 293.367 2.224 20 5 CEBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000841056732 632359235 /nfs/dbraw/zinc/35/92/35/632359235.db2.gz CGXWXJFLANGTEN-NSHDSACASA-N 2 2 283.759 2.480 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000866666971 647861686 /nfs/dbraw/zinc/86/16/86/647861686.db2.gz YDPMMBYXLKGNNV-TYNCELHUSA-N 2 2 277.368 2.379 20 5 CEBDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168991607 811324173 /nfs/dbraw/zinc/32/41/73/811324173.db2.gz IAIPGBVHZXKTQW-MCIONIFRSA-N 2 2 283.416 2.142 20 5 CEBDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168991607 811324181 /nfs/dbraw/zinc/32/41/81/811324181.db2.gz IAIPGBVHZXKTQW-MCIONIFRSA-N 2 2 283.416 2.142 20 5 CEBDLP Cc1c(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000601328289 346822302 /nfs/dbraw/zinc/82/23/02/346822302.db2.gz KAQDAIAYRPZFHG-HIFRSBDPSA-N 2 2 275.352 2.135 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000037649486 361918194 /nfs/dbraw/zinc/91/81/94/361918194.db2.gz RVNPAMLXFBZYKW-JTQLQIEISA-N 2 2 281.381 2.230 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000037649486 361918201 /nfs/dbraw/zinc/91/82/01/361918201.db2.gz RVNPAMLXFBZYKW-JTQLQIEISA-N 2 2 281.381 2.230 20 5 CEBDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000044533033 343473938 /nfs/dbraw/zinc/47/39/38/343473938.db2.gz DKERHLNCCUEZCP-SNVBAGLBSA-N 2 2 269.370 2.088 20 5 CEBDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000044533033 343473942 /nfs/dbraw/zinc/47/39/42/343473942.db2.gz DKERHLNCCUEZCP-SNVBAGLBSA-N 2 2 269.370 2.088 20 5 CEBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049235277 343536245 /nfs/dbraw/zinc/53/62/45/343536245.db2.gz WGDRIEGCXCTUIJ-LBPRGKRZSA-N 2 2 274.324 2.012 20 5 CEBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000602567124 347080894 /nfs/dbraw/zinc/08/08/94/347080894.db2.gz VBWPXMLOLUXKPP-HNNXBMFYSA-N 2 2 289.379 2.211 20 5 CEBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000602567124 347080896 /nfs/dbraw/zinc/08/08/96/347080896.db2.gz VBWPXMLOLUXKPP-HNNXBMFYSA-N 2 2 289.379 2.211 20 5 CEBDLP [NH3+]C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000593727718 345528558 /nfs/dbraw/zinc/52/85/58/345528558.db2.gz RDQBCJCPEDVQHY-AWEZNQCLSA-N 2 2 293.367 2.298 20 5 CEBDLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596654351 346073079 /nfs/dbraw/zinc/07/30/79/346073079.db2.gz JRAKSPJYSNFGMM-YGRLFVJLSA-N 2 2 263.341 2.170 20 5 CEBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000600707372 346674313 /nfs/dbraw/zinc/67/43/13/346674313.db2.gz HFIYGLHKGJVQBM-DDTOSNHZSA-N 2 2 263.341 2.386 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1C[NH+]2CCC1CC2 ZINC000602751621 347185093 /nfs/dbraw/zinc/18/50/93/347185093.db2.gz JVVBVDDUIPBYIT-INIZCTEOSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1C[NH+]2CCC1CC2 ZINC000602751621 347185094 /nfs/dbraw/zinc/18/50/94/347185094.db2.gz JVVBVDDUIPBYIT-INIZCTEOSA-N 2 2 289.379 2.429 20 5 CEBDLP C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070178240 363048536 /nfs/dbraw/zinc/04/85/36/363048536.db2.gz AIEVMVZQFZPFSC-SWLSCSKDSA-N 2 2 277.368 2.197 20 5 CEBDLP C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070178240 363048542 /nfs/dbraw/zinc/04/85/42/363048542.db2.gz AIEVMVZQFZPFSC-SWLSCSKDSA-N 2 2 277.368 2.197 20 5 CEBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089511977 363975328 /nfs/dbraw/zinc/97/53/28/363975328.db2.gz AJJVZNVUFMROBX-AAEUAGOBSA-N 2 2 263.341 2.025 20 5 CEBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089511977 363975331 /nfs/dbraw/zinc/97/53/31/363975331.db2.gz AJJVZNVUFMROBX-AAEUAGOBSA-N 2 2 263.341 2.025 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261778536 371727850 /nfs/dbraw/zinc/72/78/50/371727850.db2.gz PIMLVSPVIQUPFE-IUODEOHRSA-N 2 2 275.352 2.341 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261778536 371727858 /nfs/dbraw/zinc/72/78/58/371727858.db2.gz PIMLVSPVIQUPFE-IUODEOHRSA-N 2 2 275.352 2.341 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261637615 371686362 /nfs/dbraw/zinc/68/63/62/371686362.db2.gz CCQLLGDSRIRWGR-UONOGXRCSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261637615 371686366 /nfs/dbraw/zinc/68/63/66/371686366.db2.gz CCQLLGDSRIRWGR-UONOGXRCSA-N 2 2 275.352 2.087 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423187553 377100350 /nfs/dbraw/zinc/10/03/50/377100350.db2.gz KVZMYBCTCXYVNT-HUUCEWRRSA-N 2 2 289.379 2.258 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415066051 394872292 /nfs/dbraw/zinc/87/22/92/394872292.db2.gz INBLNIHRACVACA-HZRUHFOJSA-N 2 2 275.352 2.340 20 5 CEBDLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000415084571 394881594 /nfs/dbraw/zinc/88/15/94/394881594.db2.gz OVJIMCDUUIKTKC-GFCCVEGCSA-N 2 2 251.330 2.058 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423361771 394900874 /nfs/dbraw/zinc/90/08/74/394900874.db2.gz MOHAEIDKOZVIFR-SUNKGSAMSA-N 2 2 263.341 2.243 20 5 CEBDLP C[C@@H](C[NH3+])[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423409729 394916664 /nfs/dbraw/zinc/91/66/64/394916664.db2.gz ZBXFQTCTVVCKFS-ZANVPECISA-N 2 2 263.341 2.254 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427110261 395092407 /nfs/dbraw/zinc/09/24/07/395092407.db2.gz KROUDXPRTWNKPP-SUXDSQMHSA-N 2 2 287.363 2.292 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427110261 395092410 /nfs/dbraw/zinc/09/24/10/395092410.db2.gz KROUDXPRTWNKPP-SUXDSQMHSA-N 2 2 287.363 2.292 20 5 CEBDLP Cc1c(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000420371774 395359288 /nfs/dbraw/zinc/35/92/88/395359288.db2.gz PRDOZRSADNQHGF-IXPVHAAZSA-N 2 2 277.368 2.379 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420356798 395345022 /nfs/dbraw/zinc/34/50/22/395345022.db2.gz GMZORDKRQNMWPZ-CYBMUJFWSA-N 2 2 281.356 2.066 20 5 CEBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000420361730 395348721 /nfs/dbraw/zinc/34/87/21/395348721.db2.gz IIGSCKVSMSAJDA-JTNHKYCSSA-N 2 2 263.341 2.071 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000040600057 174350265 /nfs/dbraw/zinc/35/02/65/174350265.db2.gz WJMIHHBKRUSACL-GFCCVEGCSA-N 2 2 293.367 2.035 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000040600057 174350266 /nfs/dbraw/zinc/35/02/66/174350266.db2.gz WJMIHHBKRUSACL-GFCCVEGCSA-N 2 2 293.367 2.035 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573167 271391679 /nfs/dbraw/zinc/39/16/79/271391679.db2.gz QADHWBARZKCGQX-MNOVXSKESA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573167 271391683 /nfs/dbraw/zinc/39/16/83/271391683.db2.gz QADHWBARZKCGQX-MNOVXSKESA-N 2 2 281.331 2.293 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430593402 271396180 /nfs/dbraw/zinc/39/61/80/271396180.db2.gz IZZAAYOOWRMEAN-AWEZNQCLSA-N 2 2 281.356 2.066 20 5 CEBDLP CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000430923630 271413232 /nfs/dbraw/zinc/41/32/32/271413232.db2.gz FKHIVCXBIUZJNB-AWEZNQCLSA-N 2 2 293.367 2.048 20 5 CEBDLP CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000430923630 271413236 /nfs/dbraw/zinc/41/32/36/271413236.db2.gz FKHIVCXBIUZJNB-AWEZNQCLSA-N 2 2 293.367 2.048 20 5 CEBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000206510492 631162741 /nfs/dbraw/zinc/16/27/41/631162741.db2.gz HMNDHGYNAZIPAM-UHFFFAOYSA-N 2 2 269.732 2.090 20 5 CEBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841028284 639621397 /nfs/dbraw/zinc/62/13/97/639621397.db2.gz NWRURDCKSVLHNN-LLVKDONJSA-N 2 2 269.732 2.075 20 5 CEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507645 652432312 /nfs/dbraw/zinc/43/23/12/652432312.db2.gz LZGLTKXTMXIMDH-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507645 652432315 /nfs/dbraw/zinc/43/23/15/652432315.db2.gz LZGLTKXTMXIMDH-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001168993598 811324275 /nfs/dbraw/zinc/32/42/75/811324275.db2.gz NOACODFHBRXGKE-MELADBBJSA-N 2 2 281.400 2.038 20 5 CEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001168993598 811324285 /nfs/dbraw/zinc/32/42/85/811324285.db2.gz NOACODFHBRXGKE-MELADBBJSA-N 2 2 281.400 2.038 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1[nH+]ccn1C ZINC001173228961 815631122 /nfs/dbraw/zinc/63/11/22/815631122.db2.gz OQQJYLATOMDRHQ-GFCCVEGCSA-N 2 2 288.351 2.092 20 5 CEBDLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218049 282145616 /nfs/dbraw/zinc/14/56/16/282145616.db2.gz FAOHKCMWIXGOAY-CYBMUJFWSA-N 2 2 279.384 2.457 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH+](C)C ZINC000449223885 282147949 /nfs/dbraw/zinc/14/79/49/282147949.db2.gz KTCGSNWFTQWCMF-RYUDHWBXSA-N 2 2 265.357 2.066 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127205773 187289189 /nfs/dbraw/zinc/28/91/89/187289189.db2.gz AWTWRFCFWFDKIH-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127205773 187289190 /nfs/dbraw/zinc/28/91/90/187289190.db2.gz AWTWRFCFWFDKIH-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000050444799 362420990 /nfs/dbraw/zinc/42/09/90/362420990.db2.gz FGAIMZXVEGIKPL-UHFFFAOYSA-N 2 2 283.759 2.432 20 5 CEBDLP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000050444799 362420996 /nfs/dbraw/zinc/42/09/96/362420996.db2.gz FGAIMZXVEGIKPL-UHFFFAOYSA-N 2 2 283.759 2.432 20 5 CEBDLP Cc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275677 345236620 /nfs/dbraw/zinc/23/66/20/345236620.db2.gz WIWVPWFIANCZEA-CYBMUJFWSA-N 2 2 263.341 2.135 20 5 CEBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000594736510 345681842 /nfs/dbraw/zinc/68/18/42/345681842.db2.gz QQSUXKOTPJYSPE-SOFGYWHQSA-N 2 2 263.341 2.277 20 5 CEBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000594736510 345681846 /nfs/dbraw/zinc/68/18/46/345681846.db2.gz QQSUXKOTPJYSPE-SOFGYWHQSA-N 2 2 263.341 2.277 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600679465 346672438 /nfs/dbraw/zinc/67/24/38/346672438.db2.gz XAXQSAQNJADCMA-AWEZNQCLSA-N 2 2 275.352 2.277 20 5 CEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](C4CC4)CC3)c2c1 ZINC000601109574 346755431 /nfs/dbraw/zinc/75/54/31/346755431.db2.gz WQIJPNBIAGSCKB-UHFFFAOYSA-N 2 2 298.346 2.427 20 5 CEBDLP Cc1ccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000602750795 347185057 /nfs/dbraw/zinc/18/50/57/347185057.db2.gz CTQLQMHMOJCOLB-INIZCTEOSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000602750795 347185058 /nfs/dbraw/zinc/18/50/58/347185058.db2.gz CTQLQMHMOJCOLB-INIZCTEOSA-N 2 2 289.379 2.429 20 5 CEBDLP C[N@@H+]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000608836137 347622528 /nfs/dbraw/zinc/62/25/28/347622528.db2.gz SBZLAYQSWKKYQX-BTKRWWFXSA-N 2 2 275.352 2.292 20 5 CEBDLP C[N@H+]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000608836137 347622532 /nfs/dbraw/zinc/62/25/32/347622532.db2.gz SBZLAYQSWKKYQX-BTKRWWFXSA-N 2 2 275.352 2.292 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171984 363045551 /nfs/dbraw/zinc/04/55/51/363045551.db2.gz WMOHZRSPFXHXFI-KOLCDFICSA-N 2 2 269.370 2.216 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171984 363045556 /nfs/dbraw/zinc/04/55/56/363045556.db2.gz WMOHZRSPFXHXFI-KOLCDFICSA-N 2 2 269.370 2.216 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000273493805 192173752 /nfs/dbraw/zinc/17/37/52/192173752.db2.gz XHJASJHKMFPHPT-UHFFFAOYSA-N 2 2 263.341 2.087 20 5 CEBDLP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000414839071 236512606 /nfs/dbraw/zinc/51/26/06/236512606.db2.gz IRZSMCNVOLXLDA-UHFFFAOYSA-N 2 2 293.367 2.355 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668006 371464469 /nfs/dbraw/zinc/46/44/69/371464469.db2.gz QWQORTSNXLVUHI-KGLIPLIRSA-N 2 2 275.352 2.311 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668006 371464476 /nfs/dbraw/zinc/46/44/76/371464476.db2.gz QWQORTSNXLVUHI-KGLIPLIRSA-N 2 2 275.352 2.311 20 5 CEBDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414808731 375995977 /nfs/dbraw/zinc/99/59/77/375995977.db2.gz FTBCKPGWGAGDGZ-LBPRGKRZSA-N 2 2 281.356 2.211 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000423142932 377041176 /nfs/dbraw/zinc/04/11/76/377041176.db2.gz BTLMLTQSBUFBID-MISXGVKJSA-N 2 2 263.341 2.386 20 5 CEBDLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270460 377189253 /nfs/dbraw/zinc/18/92/53/377189253.db2.gz WTZROEROJMLDLQ-MFKMUULPSA-N 2 2 251.330 2.229 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423269702 377189292 /nfs/dbraw/zinc/18/92/92/377189292.db2.gz FTNILFLBFWISRW-MFKMUULPSA-N 2 2 263.341 2.291 20 5 CEBDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254949 219003285 /nfs/dbraw/zinc/00/32/85/219003285.db2.gz RXCOUAHOQSXIAJ-GXFFZTMASA-N 2 2 297.786 2.330 20 5 CEBDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254949 219003288 /nfs/dbraw/zinc/00/32/88/219003288.db2.gz RXCOUAHOQSXIAJ-GXFFZTMASA-N 2 2 297.786 2.330 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422719943 394739561 /nfs/dbraw/zinc/73/95/61/394739561.db2.gz RQSAXAINHPDBSI-UONOGXRCSA-N 2 2 293.367 2.353 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414854830 394772268 /nfs/dbraw/zinc/77/22/68/394772268.db2.gz VREBLKGXDPIZBQ-CYBMUJFWSA-N 2 2 265.357 2.366 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000414886421 394788725 /nfs/dbraw/zinc/78/87/25/394788725.db2.gz YCWZSSAMYZNFHF-UHFFFAOYSA-N 2 2 269.732 2.219 20 5 CEBDLP COc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000420359134 395346390 /nfs/dbraw/zinc/34/63/90/395346390.db2.gz FZNVZFOEEZDFSB-JRPNMDOOSA-N 2 2 293.367 2.080 20 5 CEBDLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672679 174370384 /nfs/dbraw/zinc/37/03/84/174370384.db2.gz QEABEDVAOVTKEP-WCQYABFASA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672679 174370385 /nfs/dbraw/zinc/37/03/85/174370385.db2.gz QEABEDVAOVTKEP-WCQYABFASA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672575 174370428 /nfs/dbraw/zinc/37/04/28/174370428.db2.gz JVUCEDRWVJHFQB-WCQYABFASA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672575 174370429 /nfs/dbraw/zinc/37/04/29/174370429.db2.gz JVUCEDRWVJHFQB-WCQYABFASA-N 2 2 263.341 2.340 20 5 CEBDLP O=[N+]([O-])c1ccc(CC[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000045107110 175308308 /nfs/dbraw/zinc/30/83/08/175308308.db2.gz IBJZPZOXILCBEZ-UHFFFAOYSA-N 2 2 288.351 2.404 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427132211 260553335 /nfs/dbraw/zinc/55/33/35/260553335.db2.gz ANGCNMZMWCDNCV-KGLIPLIRSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427132211 260553336 /nfs/dbraw/zinc/55/33/36/260553336.db2.gz ANGCNMZMWCDNCV-KGLIPLIRSA-N 2 2 275.352 2.087 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245656 263207452 /nfs/dbraw/zinc/20/74/52/263207452.db2.gz HPOIAWUUIMIMIF-SUNKGSAMSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245656 263207454 /nfs/dbraw/zinc/20/74/54/263207454.db2.gz HPOIAWUUIMIMIF-SUNKGSAMSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423543395 270923581 /nfs/dbraw/zinc/92/35/81/270923581.db2.gz BRZFGPQFBZGUOG-YPMHNXCESA-N 2 2 263.341 2.388 20 5 CEBDLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423466255 281049190 /nfs/dbraw/zinc/04/91/90/281049190.db2.gz NEECBXRMXOKXJY-GHMZBOCLSA-N 2 2 251.330 2.291 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661653 290206357 /nfs/dbraw/zinc/20/63/57/290206357.db2.gz MVYYCFUMEBXVKS-LBPRGKRZSA-N 2 2 288.351 2.092 20 5 CEBDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843355737 640401246 /nfs/dbraw/zinc/40/12/46/640401246.db2.gz IPWSRQFNEDSKNW-ZDUSSCGKSA-N 2 2 269.320 2.197 20 5 CEBDLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000866259951 647700673 /nfs/dbraw/zinc/70/06/73/647700673.db2.gz RCGNRVQYUSNYLZ-WDEREUQCSA-N 2 2 283.347 2.205 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713265333 814848714 /nfs/dbraw/zinc/84/87/14/814848714.db2.gz YMOFBLWVUGVLAZ-UHFFFAOYSA-N 2 2 275.352 2.313 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713265333 814848718 /nfs/dbraw/zinc/84/87/18/814848718.db2.gz YMOFBLWVUGVLAZ-UHFFFAOYSA-N 2 2 275.352 2.313 20 5 CEBDLP Cc1c([C@@H](C)[NH2+]CC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000591577208 345265220 /nfs/dbraw/zinc/26/52/20/345265220.db2.gz BGRHEJPNLLDXJN-LLVKDONJSA-N 2 2 263.341 2.306 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000596654537 346072696 /nfs/dbraw/zinc/07/26/96/346072696.db2.gz PYZFJRFKPFXAIE-MNOVXSKESA-N 2 2 281.356 2.252 20 5 CEBDLP Cc1c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682513 346400129 /nfs/dbraw/zinc/40/01/29/346400129.db2.gz OAJHYZVNBZZROJ-UKRRQHHQSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682513 346400132 /nfs/dbraw/zinc/40/01/32/346400132.db2.gz OAJHYZVNBZZROJ-UKRRQHHQSA-N 2 2 275.352 2.216 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684387 346400215 /nfs/dbraw/zinc/40/02/15/346400215.db2.gz WMCQKMNGQONLKA-JMSVASOKSA-N 2 2 275.352 2.469 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684387 346400217 /nfs/dbraw/zinc/40/02/17/346400217.db2.gz WMCQKMNGQONLKA-JMSVASOKSA-N 2 2 275.352 2.469 20 5 CEBDLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600714965 346676650 /nfs/dbraw/zinc/67/66/50/346676650.db2.gz WHYOLIXLEGNYOK-LEWSCRJBSA-N 2 2 263.341 2.386 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351847503 219223795 /nfs/dbraw/zinc/22/37/95/219223795.db2.gz AAVXXLWOXPTUAD-RYUDHWBXSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351847503 219223798 /nfs/dbraw/zinc/22/37/98/219223798.db2.gz AAVXXLWOXPTUAD-RYUDHWBXSA-N 2 2 293.367 2.163 20 5 CEBDLP CC[NH+](CC)CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000338299736 366280680 /nfs/dbraw/zinc/28/06/80/366280680.db2.gz GCQRSXQNHCKEEU-UHFFFAOYSA-N 2 2 292.383 2.080 20 5 CEBDLP CC[NH+](CC)CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000338299736 366280687 /nfs/dbraw/zinc/28/06/87/366280687.db2.gz GCQRSXQNHCKEEU-UHFFFAOYSA-N 2 2 292.383 2.080 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[N@H+]1CC=CCC1 ZINC000355527604 370587615 /nfs/dbraw/zinc/58/76/15/370587615.db2.gz GHLANAULZQTBPV-VURMDHGXSA-N 2 2 287.363 2.460 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[N@@H+]1CC=CCC1 ZINC000355527604 370587618 /nfs/dbraw/zinc/58/76/18/370587618.db2.gz GHLANAULZQTBPV-VURMDHGXSA-N 2 2 287.363 2.460 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262110967 371825769 /nfs/dbraw/zinc/82/57/69/371825769.db2.gz WKECIAIVBOZPIP-WMHVBEDNSA-N 2 2 287.363 2.293 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262110967 371825772 /nfs/dbraw/zinc/82/57/72/371825772.db2.gz WKECIAIVBOZPIP-WMHVBEDNSA-N 2 2 287.363 2.293 20 5 CEBDLP C[NH+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287096310 376150138 /nfs/dbraw/zinc/15/01/38/376150138.db2.gz PTTGUGPUDQPTQN-AWEZNQCLSA-N 2 2 277.368 2.067 20 5 CEBDLP CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422938564 376868100 /nfs/dbraw/zinc/86/81/00/376868100.db2.gz HEQLQKIVOMRXSB-KBPBESRZSA-N 2 2 263.341 2.215 20 5 CEBDLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423278399 377204885 /nfs/dbraw/zinc/20/48/85/377204885.db2.gz PVQFFDSHPOEFOB-GWCFXTLKSA-N 2 2 263.341 2.291 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414912875 394801241 /nfs/dbraw/zinc/80/12/41/394801241.db2.gz YUYBGRGNTZHHPY-LLVKDONJSA-N 2 2 283.759 2.480 20 5 CEBDLP C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000414915182 394801520 /nfs/dbraw/zinc/80/15/20/394801520.db2.gz YXLAYSVRGBACSM-LBPRGKRZSA-N 2 2 269.370 2.136 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128479678 394854560 /nfs/dbraw/zinc/85/45/60/394854560.db2.gz YODFHLQQTISNJQ-AWEZNQCLSA-N 2 2 295.383 2.409 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128479678 394854564 /nfs/dbraw/zinc/85/45/64/394854564.db2.gz YODFHLQQTISNJQ-AWEZNQCLSA-N 2 2 295.383 2.409 20 5 CEBDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423394524 394913657 /nfs/dbraw/zinc/91/36/57/394913657.db2.gz ZWMFNBLIYWOLEU-MNOVXSKESA-N 2 2 251.330 2.243 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427132210 395093208 /nfs/dbraw/zinc/09/32/08/395093208.db2.gz ANGCNMZMWCDNCV-KBPBESRZSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427132210 395093211 /nfs/dbraw/zinc/09/32/11/395093211.db2.gz ANGCNMZMWCDNCV-KBPBESRZSA-N 2 2 275.352 2.087 20 5 CEBDLP C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000430600793 271397883 /nfs/dbraw/zinc/39/78/83/271397883.db2.gz YQDYKVHLRBVCLG-UHFFFAOYSA-N 2 2 269.320 2.151 20 5 CEBDLP C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000430600793 271397888 /nfs/dbraw/zinc/39/78/88/271397888.db2.gz YQDYKVHLRBVCLG-UHFFFAOYSA-N 2 2 269.320 2.151 20 5 CEBDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423438451 281042544 /nfs/dbraw/zinc/04/25/44/281042544.db2.gz UVQIMNQNGMDBLE-WFASDCNBSA-N 2 2 293.367 2.014 20 5 CEBDLP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530419 281063583 /nfs/dbraw/zinc/06/35/83/281063583.db2.gz WRLQNCDUZGHOJK-GJZGRUSLSA-N 2 2 293.367 2.014 20 5 CEBDLP Cc1c(C[NH2+][C@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000049235276 629862698 /nfs/dbraw/zinc/86/26/98/629862698.db2.gz NQVRMWGZHDSBBI-LLVKDONJSA-N 2 2 274.324 2.278 20 5 CEBDLP COc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903058225 634949094 /nfs/dbraw/zinc/94/90/94/634949094.db2.gz HXMMRCOGRLBJEN-NSHDSACASA-N 2 2 293.367 2.348 20 5 CEBDLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000903843988 635302070 /nfs/dbraw/zinc/30/20/70/635302070.db2.gz YZNDVVMGDSNJDA-NDMJEZRESA-N 2 2 279.315 2.046 20 5 CEBDLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000903843988 635302075 /nfs/dbraw/zinc/30/20/75/635302075.db2.gz YZNDVVMGDSNJDA-NDMJEZRESA-N 2 2 279.315 2.046 20 5 CEBDLP C[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000903988432 635406690 /nfs/dbraw/zinc/40/66/90/635406690.db2.gz RGQWJRXJHNTTEC-PSASIEDQSA-N 2 2 273.283 2.228 20 5 CEBDLP Cc1c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000873127225 649564737 /nfs/dbraw/zinc/56/47/37/649564737.db2.gz JUYHCHXHXPDPRY-GFCCVEGCSA-N 2 2 286.335 2.273 20 5 CEBDLP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170295246 812375907 /nfs/dbraw/zinc/37/59/07/812375907.db2.gz BWBJYTCFZFGPPW-NWDGAFQWSA-N 2 2 295.383 2.074 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cc[nH+]c1 ZINC000449062690 282085640 /nfs/dbraw/zinc/08/56/40/282085640.db2.gz JURAJLPDRNEZNH-ZDUSSCGKSA-N 2 2 288.351 2.402 20 5 CEBDLP CCCC[N@H+](C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602568957 347081891 /nfs/dbraw/zinc/08/18/91/347081891.db2.gz ZTQJNJBBLNMLRE-UHFFFAOYSA-N 2 2 279.384 2.459 20 5 CEBDLP CCCC[N@@H+](C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602568957 347081894 /nfs/dbraw/zinc/08/18/94/347081894.db2.gz ZTQJNJBBLNMLRE-UHFFFAOYSA-N 2 2 279.384 2.459 20 5 CEBDLP C[C@@H]([NH3+])C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000591581322 345266877 /nfs/dbraw/zinc/26/68/77/345266877.db2.gz PVXKZWBXKNBVRM-RNCFNFMXSA-N 2 2 263.341 2.254 20 5 CEBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726278 345527816 /nfs/dbraw/zinc/52/78/16/345527816.db2.gz FVVYERRKXVVCJM-NQBHXWOUSA-N 2 2 293.367 2.106 20 5 CEBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726278 345527820 /nfs/dbraw/zinc/52/78/20/345527820.db2.gz FVVYERRKXVVCJM-NQBHXWOUSA-N 2 2 293.367 2.106 20 5 CEBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728000 345528651 /nfs/dbraw/zinc/52/86/51/345528651.db2.gz USIWSRKEPHMTHN-LBPRGKRZSA-N 2 2 279.340 2.004 20 5 CEBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728000 345528653 /nfs/dbraw/zinc/52/86/53/345528653.db2.gz USIWSRKEPHMTHN-LBPRGKRZSA-N 2 2 279.340 2.004 20 5 CEBDLP Cc1c(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682514 346400327 /nfs/dbraw/zinc/40/03/27/346400327.db2.gz OAJHYZVNBZZROJ-ZFWWWQNUSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1c(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682514 346400329 /nfs/dbraw/zinc/40/03/29/346400329.db2.gz OAJHYZVNBZZROJ-ZFWWWQNUSA-N 2 2 275.352 2.216 20 5 CEBDLP C[N@@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000599013574 346445961 /nfs/dbraw/zinc/44/59/61/346445961.db2.gz KUYNNJGMNOGTPV-ZBKLQPJUSA-N 2 2 275.352 2.292 20 5 CEBDLP C[N@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000599013574 346445965 /nfs/dbraw/zinc/44/59/65/346445965.db2.gz KUYNNJGMNOGTPV-ZBKLQPJUSA-N 2 2 275.352 2.292 20 5 CEBDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720428 180030824 /nfs/dbraw/zinc/03/08/24/180030824.db2.gz IFNKUFBWOBHDHD-DGCLKSJQSA-N 2 2 293.367 2.176 20 5 CEBDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720428 180030825 /nfs/dbraw/zinc/03/08/25/180030825.db2.gz IFNKUFBWOBHDHD-DGCLKSJQSA-N 2 2 293.367 2.176 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122394587 187030154 /nfs/dbraw/zinc/03/01/54/187030154.db2.gz ALVPSIFSKPXPOF-YPMHNXCESA-N 2 2 293.367 2.176 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122394587 187030155 /nfs/dbraw/zinc/03/01/55/187030155.db2.gz ALVPSIFSKPXPOF-YPMHNXCESA-N 2 2 293.367 2.176 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000123271164 187081932 /nfs/dbraw/zinc/08/19/32/187081932.db2.gz YTNBQSGPPSRBKB-GXTWGEPZSA-N 2 2 289.379 2.352 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000123271164 187081933 /nfs/dbraw/zinc/08/19/33/187081933.db2.gz YTNBQSGPPSRBKB-GXTWGEPZSA-N 2 2 289.379 2.352 20 5 CEBDLP C[NH2+]C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000261610049 371677594 /nfs/dbraw/zinc/67/75/94/371677594.db2.gz SEHKQYAWCMUVTG-UHFFFAOYSA-N 2 2 263.341 2.087 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272581012 373562390 /nfs/dbraw/zinc/56/23/90/373562390.db2.gz GRVPZHSVXCRJMT-GDBMZVCRSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272581012 373562393 /nfs/dbraw/zinc/56/23/93/373562393.db2.gz GRVPZHSVXCRJMT-GDBMZVCRSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272581012 373562398 /nfs/dbraw/zinc/56/23/98/373562398.db2.gz GRVPZHSVXCRJMT-GDBMZVCRSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272581012 373562403 /nfs/dbraw/zinc/56/24/03/373562403.db2.gz GRVPZHSVXCRJMT-GDBMZVCRSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000414766171 375956922 /nfs/dbraw/zinc/95/69/22/375956922.db2.gz HARHXSRMMVPWAL-NHYWBVRUSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000414766171 375956927 /nfs/dbraw/zinc/95/69/27/375956927.db2.gz HARHXSRMMVPWAL-NHYWBVRUSA-N 2 2 277.368 2.462 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000314145446 376765046 /nfs/dbraw/zinc/76/50/46/376765046.db2.gz KEALKHBPXXBKIX-OLZOCXBDSA-N 2 2 293.342 2.450 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000314145446 376765051 /nfs/dbraw/zinc/76/50/51/376765051.db2.gz KEALKHBPXXBKIX-OLZOCXBDSA-N 2 2 293.342 2.450 20 5 CEBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343776 376741009 /nfs/dbraw/zinc/74/10/09/376741009.db2.gz FQRMSYDAPNILNM-JQWIXIFHSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343776 376741013 /nfs/dbraw/zinc/74/10/13/376741013.db2.gz FQRMSYDAPNILNM-JQWIXIFHSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343776 376741015 /nfs/dbraw/zinc/74/10/15/376741015.db2.gz FQRMSYDAPNILNM-JQWIXIFHSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343776 376741020 /nfs/dbraw/zinc/74/10/20/376741020.db2.gz FQRMSYDAPNILNM-JQWIXIFHSA-N 2 2 283.397 2.428 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423327387 377261187 /nfs/dbraw/zinc/26/11/87/377261187.db2.gz RKRJQHZVDRJGQZ-GWCFXTLKSA-N 2 2 293.367 2.381 20 5 CEBDLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423278401 377204237 /nfs/dbraw/zinc/20/42/37/377204237.db2.gz PVQFFDSHPOEFOB-MFKMUULPSA-N 2 2 263.341 2.291 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000346997888 218084595 /nfs/dbraw/zinc/08/45/95/218084595.db2.gz DPTYVBSKZWOJMQ-FZMZJTMJSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000346997888 218084597 /nfs/dbraw/zinc/08/45/97/218084597.db2.gz DPTYVBSKZWOJMQ-FZMZJTMJSA-N 2 2 293.367 2.163 20 5 CEBDLP C[NH+](C)CCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000554875709 380799347 /nfs/dbraw/zinc/79/93/47/380799347.db2.gz NUNMYZWAJKKXLT-TWGQIWQCSA-N 2 2 277.368 2.492 20 5 CEBDLP C[NH+](C)CCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000554875709 380799353 /nfs/dbraw/zinc/79/93/53/380799353.db2.gz NUNMYZWAJKKXLT-TWGQIWQCSA-N 2 2 277.368 2.492 20 5 CEBDLP C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000414862376 394775607 /nfs/dbraw/zinc/77/56/07/394775607.db2.gz XNIQOVZDUVGQSE-KOLCDFICSA-N 2 2 269.370 2.134 20 5 CEBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414935815 394811114 /nfs/dbraw/zinc/81/11/14/394811114.db2.gz CMHLJSHUCNNXMO-JTQLQIEISA-N 2 2 275.308 2.292 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000414952800 394821818 /nfs/dbraw/zinc/82/18/18/394821818.db2.gz QZGDPOFYQMBXNU-ONGXEEELSA-N 2 2 283.759 2.478 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423355007 394898949 /nfs/dbraw/zinc/89/89/49/394898949.db2.gz DQSZMTGGDZHEJM-MJVIPROJSA-N 2 2 263.341 2.243 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494426461 395112740 /nfs/dbraw/zinc/11/27/40/395112740.db2.gz OZPAQFDXAFZEER-CYBMUJFWSA-N 2 2 286.335 2.204 20 5 CEBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000420358250 395344725 /nfs/dbraw/zinc/34/47/25/395344725.db2.gz FETDREHUHNAWKM-GYSYKLTISA-N 2 2 263.341 2.071 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346662414 154291889 /nfs/dbraw/zinc/29/18/89/154291889.db2.gz BVWPLVLAMOZFOD-RYUDHWBXSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346662414 154291891 /nfs/dbraw/zinc/29/18/91/154291891.db2.gz BVWPLVLAMOZFOD-RYUDHWBXSA-N 2 2 293.367 2.163 20 5 CEBDLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672576 174370881 /nfs/dbraw/zinc/37/08/81/174370881.db2.gz JVUCEDRWVJHFQB-DGCLKSJQSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672576 174370882 /nfs/dbraw/zinc/37/08/82/174370882.db2.gz JVUCEDRWVJHFQB-DGCLKSJQSA-N 2 2 263.341 2.340 20 5 CEBDLP C[NH2+]CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423253021 270882796 /nfs/dbraw/zinc/88/27/96/270882796.db2.gz YERUKELFFREYJW-CYBMUJFWSA-N 2 2 263.341 2.126 20 5 CEBDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423513500 281058721 /nfs/dbraw/zinc/05/87/21/281058721.db2.gz LUDWQNVBJAKXSD-LSDHHAIUSA-N 2 2 293.367 2.014 20 5 CEBDLP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093874435 628726510 /nfs/dbraw/zinc/72/65/10/628726510.db2.gz NIHRZHCPCWEYIW-UHFFFAOYSA-N 2 2 269.320 2.151 20 5 CEBDLP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093874435 628726511 /nfs/dbraw/zinc/72/65/11/628726511.db2.gz NIHRZHCPCWEYIW-UHFFFAOYSA-N 2 2 269.320 2.151 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895296738 630089897 /nfs/dbraw/zinc/08/98/97/630089897.db2.gz DEQAQTADHXHTAQ-GFCCVEGCSA-N 2 2 295.383 2.423 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056862 640258126 /nfs/dbraw/zinc/25/81/26/640258126.db2.gz BDFILDLRQIBZMD-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056862 640258129 /nfs/dbraw/zinc/25/81/29/640258129.db2.gz BDFILDLRQIBZMD-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000866666967 647861559 /nfs/dbraw/zinc/86/15/59/647861559.db2.gz YDPMMBYXLKGNNV-LALPHHSUSA-N 2 2 277.368 2.379 20 5 CEBDLP [NH2+]=C(Nc1cc2cccnc2c([N+](=O)[O-])c1)SCC[NH3+] ZINC001167913481 803610863 /nfs/dbraw/zinc/61/08/63/803610863.db2.gz YVDNZQQMMCSBOJ-UHFFFAOYSA-N 2 2 291.336 2.182 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC000449065270 282085914 /nfs/dbraw/zinc/08/59/14/282085914.db2.gz YHUJNISEIBVQPK-LBPRGKRZSA-N 2 2 274.324 2.012 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601323478 346820504 /nfs/dbraw/zinc/82/05/04/346820504.db2.gz AULZIVAGAPCUEG-CYBMUJFWSA-N 2 2 293.367 2.177 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601323478 346820509 /nfs/dbraw/zinc/82/05/09/346820509.db2.gz AULZIVAGAPCUEG-CYBMUJFWSA-N 2 2 293.367 2.177 20 5 CEBDLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601328437 346822379 /nfs/dbraw/zinc/82/23/79/346822379.db2.gz PPEXLOCTVMGVJO-HIFRSBDPSA-N 2 2 275.352 2.135 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000591282658 345237089 /nfs/dbraw/zinc/23/70/89/345237089.db2.gz LEBRUVLGZVTHMW-LBPRGKRZSA-N 2 2 293.342 2.498 20 5 CEBDLP CC[NH2+]CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593724900 345527976 /nfs/dbraw/zinc/52/79/76/345527976.db2.gz BANRNLUOTJEGDV-UHFFFAOYSA-N 2 2 293.367 2.122 20 5 CEBDLP O=[N+]([O-])c1cccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000594934810 345708258 /nfs/dbraw/zinc/70/82/58/345708258.db2.gz GURORBHUBHYWLZ-UHFFFAOYSA-N 2 2 286.335 2.070 20 5 CEBDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000596106377 345941378 /nfs/dbraw/zinc/94/13/78/345941378.db2.gz PTHZWIJACYQCKH-NSHDSACASA-N 2 2 265.357 2.416 20 5 CEBDLP C[NH+](C)CC1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596246189 345979494 /nfs/dbraw/zinc/97/94/94/345979494.db2.gz CGUIQDNNKJBNAG-UHFFFAOYSA-N 2 2 286.335 2.141 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598680428 346399375 /nfs/dbraw/zinc/39/93/75/346399375.db2.gz BQLZEUPGIVIGGS-KYOSRNDESA-N 2 2 275.352 2.469 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598680428 346399377 /nfs/dbraw/zinc/39/93/77/346399377.db2.gz BQLZEUPGIVIGGS-KYOSRNDESA-N 2 2 275.352 2.469 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598680430 346399595 /nfs/dbraw/zinc/39/95/95/346399595.db2.gz BQLZEUPGIVIGGS-UXIGCNINSA-N 2 2 275.352 2.469 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598680430 346399598 /nfs/dbraw/zinc/39/95/98/346399598.db2.gz BQLZEUPGIVIGGS-UXIGCNINSA-N 2 2 275.352 2.469 20 5 CEBDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000598995463 346444079 /nfs/dbraw/zinc/44/40/79/346444079.db2.gz YALQUXRACMPNGO-NSHDSACASA-N 2 2 283.397 2.478 20 5 CEBDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000598995463 346444080 /nfs/dbraw/zinc/44/40/80/346444080.db2.gz YALQUXRACMPNGO-NSHDSACASA-N 2 2 283.397 2.478 20 5 CEBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000600678203 346672000 /nfs/dbraw/zinc/67/20/00/346672000.db2.gz NXWPLSPVJPSGAW-CXSYMGSUSA-N 2 2 275.352 2.338 20 5 CEBDLP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000600712908 346676060 /nfs/dbraw/zinc/67/60/60/346676060.db2.gz CSURMEHXDBIZRP-NTZNESFSSA-N 2 2 263.341 2.304 20 5 CEBDLP Cc1c([C@H](C)[NH2+]CCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000155690834 188221225 /nfs/dbraw/zinc/22/12/25/188221225.db2.gz FCSRQGDHJDXDEW-LBPRGKRZSA-N 2 2 274.324 2.451 20 5 CEBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743054 299216352 /nfs/dbraw/zinc/21/63/52/299216352.db2.gz FNJKJTHCRVLLFE-RISCZKNCSA-N 2 2 286.335 2.457 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570570575 299265429 /nfs/dbraw/zinc/26/54/29/299265429.db2.gz WAEWQUQBFMBKMS-OAHLLOKOSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570570575 299265432 /nfs/dbraw/zinc/26/54/32/299265432.db2.gz WAEWQUQBFMBKMS-OAHLLOKOSA-N 2 2 275.352 2.170 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346652533 368753062 /nfs/dbraw/zinc/75/30/62/368753062.db2.gz HIVJYQGNDKQQNI-UHFFFAOYSA-N 2 2 295.383 2.410 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346652533 368753070 /nfs/dbraw/zinc/75/30/70/368753070.db2.gz HIVJYQGNDKQQNI-UHFFFAOYSA-N 2 2 295.383 2.410 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644121 371690456 /nfs/dbraw/zinc/69/04/56/371690456.db2.gz CQEOPOHMBBPQQP-GHMZBOCLSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644121 371690457 /nfs/dbraw/zinc/69/04/57/371690457.db2.gz CQEOPOHMBBPQQP-GHMZBOCLSA-N 2 2 281.331 2.293 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261906844 371767396 /nfs/dbraw/zinc/76/73/96/371767396.db2.gz XCJLODZQPVPBLV-HNNXBMFYSA-N 2 2 293.367 2.164 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261906844 371767404 /nfs/dbraw/zinc/76/74/04/371767404.db2.gz XCJLODZQPVPBLV-HNNXBMFYSA-N 2 2 293.367 2.164 20 5 CEBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000386560690 321872203 /nfs/dbraw/zinc/87/22/03/321872203.db2.gz IYMDPVRJRQDPAQ-BXUZGUMPSA-N 2 2 263.341 2.215 20 5 CEBDLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414814451 376001429 /nfs/dbraw/zinc/00/14/29/376001429.db2.gz NSARPVFKAYFKRE-GFCCVEGCSA-N 2 2 251.330 2.202 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000422942894 376871456 /nfs/dbraw/zinc/87/14/56/376871456.db2.gz KWSMXZFTVSEVRA-UHIISALHSA-N 2 2 263.341 2.386 20 5 CEBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414986770 394837650 /nfs/dbraw/zinc/83/76/50/394837650.db2.gz YEUHALUUKBFHRE-VIFPVBQESA-N 2 2 257.721 2.075 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000415040942 394859795 /nfs/dbraw/zinc/85/97/95/394859795.db2.gz OUDMBCYYGQSWDY-ZDUSSCGKSA-N 2 2 263.341 2.133 20 5 CEBDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423394456 394913902 /nfs/dbraw/zinc/91/39/02/394913902.db2.gz ZSEZQUPHFUSWGM-GHMZBOCLSA-N 2 2 251.330 2.243 20 5 CEBDLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672682 174370345 /nfs/dbraw/zinc/37/03/45/174370345.db2.gz QEABEDVAOVTKEP-YPMHNXCESA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672682 174370346 /nfs/dbraw/zinc/37/03/46/174370346.db2.gz QEABEDVAOVTKEP-YPMHNXCESA-N 2 2 263.341 2.340 20 5 CEBDLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423237730 270880107 /nfs/dbraw/zinc/88/01/07/270880107.db2.gz DRNYUNZLFZHXPD-LLVKDONJSA-N 2 2 281.356 2.254 20 5 CEBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000424335829 271047712 /nfs/dbraw/zinc/04/77/12/271047712.db2.gz PIFYDBKCLPHZAL-VXGBXAGGSA-N 2 2 267.304 2.093 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430607962 271398727 /nfs/dbraw/zinc/39/87/27/271398727.db2.gz BWMGHOLHTWIWTP-CHWSQXEVSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430607962 271398731 /nfs/dbraw/zinc/39/87/31/271398731.db2.gz BWMGHOLHTWIWTP-CHWSQXEVSA-N 2 2 293.367 2.175 20 5 CEBDLP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414840335 273966126 /nfs/dbraw/zinc/96/61/26/273966126.db2.gz NBLACOLNINNYAQ-VIFPVBQESA-N 2 2 271.748 2.193 20 5 CEBDLP CC[NH+](CC)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020052139 279099820 /nfs/dbraw/zinc/09/98/20/279099820.db2.gz ITYSYCACPGMRAZ-UHFFFAOYSA-N 2 2 265.357 2.416 20 5 CEBDLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422946526 280975455 /nfs/dbraw/zinc/97/54/55/280975455.db2.gz OXFJUNAABSTHRA-DGCLKSJQSA-N 2 2 293.367 2.224 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423437567 281041787 /nfs/dbraw/zinc/04/17/87/281041787.db2.gz GGDUSTDKXYQUTG-AXFHLTTASA-N 2 2 281.356 2.380 20 5 CEBDLP COC[C@@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423447371 281045764 /nfs/dbraw/zinc/04/57/64/281045764.db2.gz ZPWOYKWGKDQNFJ-WFASDCNBSA-N 2 2 293.367 2.014 20 5 CEBDLP Cc1c(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000049235275 629862503 /nfs/dbraw/zinc/86/25/03/629862503.db2.gz NQVRMWGZHDSBBI-NSHDSACASA-N 2 2 274.324 2.278 20 5 CEBDLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000903968191 635400742 /nfs/dbraw/zinc/40/07/42/635400742.db2.gz RLZKSZBENVGWKU-KOLCDFICSA-N 2 2 283.759 2.193 20 5 CEBDLP [NH3+][C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841051952 639632937 /nfs/dbraw/zinc/63/29/37/639632937.db2.gz WNFLEKNTWWJROJ-LLVKDONJSA-N 2 2 269.732 2.075 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000841061446 639637692 /nfs/dbraw/zinc/63/76/92/639637692.db2.gz JIEJOXUZCIWWFX-SKDRFNHKSA-N 2 2 283.759 2.478 20 5 CEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842476182 640075876 /nfs/dbraw/zinc/07/58/76/640075876.db2.gz ISCCHAHKYZBXAK-ZDUSSCGKSA-N 2 2 281.331 2.212 20 5 CEBDLP Cc1[nH+]cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1CSCC[NH3+] ZINC001168979702 811309027 /nfs/dbraw/zinc/30/90/27/811309027.db2.gz ZLTDJZNXTYFWEK-NWDGAFQWSA-N 2 2 298.412 2.001 20 5 CEBDLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897645 815539794 /nfs/dbraw/zinc/53/97/94/815539794.db2.gz BWCYRJHQEPAAMR-SWLSCSKDSA-N 2 2 291.395 2.382 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601333340 346822732 /nfs/dbraw/zinc/82/27/32/346822732.db2.gz CKMJPSRNUMQFOJ-UKRRQHHQSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601333340 346822734 /nfs/dbraw/zinc/82/27/34/346822734.db2.gz CKMJPSRNUMQFOJ-UKRRQHHQSA-N 2 2 275.352 2.169 20 5 CEBDLP CC[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251909501 344637811 /nfs/dbraw/zinc/63/78/11/344637811.db2.gz XPAPEKSISHHOGV-GHMZBOCLSA-N 2 2 269.370 2.216 20 5 CEBDLP CC[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251909501 344637814 /nfs/dbraw/zinc/63/78/14/344637814.db2.gz XPAPEKSISHHOGV-GHMZBOCLSA-N 2 2 269.370 2.216 20 5 CEBDLP CC(C)[N@H+](C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054112688 362512564 /nfs/dbraw/zinc/51/25/64/362512564.db2.gz CRSCAOLEBVLNDO-UHFFFAOYSA-N 2 2 265.357 2.067 20 5 CEBDLP CC(C)[N@@H+](C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054112688 362512567 /nfs/dbraw/zinc/51/25/67/362512567.db2.gz CRSCAOLEBVLNDO-UHFFFAOYSA-N 2 2 265.357 2.067 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC000592424289 345351735 /nfs/dbraw/zinc/35/17/35/345351735.db2.gz BJHVGQZQIRPZQU-UHFFFAOYSA-N 2 2 293.342 2.450 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC000592424289 345351740 /nfs/dbraw/zinc/35/17/40/345351740.db2.gz BJHVGQZQIRPZQU-UHFFFAOYSA-N 2 2 293.342 2.450 20 5 CEBDLP C[NH+](C)[C@@H]1[C@H]2CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C[C@H]21 ZINC000599082468 346457476 /nfs/dbraw/zinc/45/74/76/346457476.db2.gz CSGADKSARPZWOI-NHAGDIPZSA-N 2 2 298.346 2.139 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074603 363027648 /nfs/dbraw/zinc/02/76/48/363027648.db2.gz MZMHJHAGFUJQLE-NEPJUHHUSA-N 2 2 293.367 2.163 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074603 363027656 /nfs/dbraw/zinc/02/76/56/363027656.db2.gz MZMHJHAGFUJQLE-NEPJUHHUSA-N 2 2 293.367 2.163 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CC1 ZINC000417351424 237091769 /nfs/dbraw/zinc/09/17/69/237091769.db2.gz CNVHRVGLSBGABR-GFCCVEGCSA-N 2 2 277.368 2.210 20 5 CEBDLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423186556 377100115 /nfs/dbraw/zinc/10/01/15/377100115.db2.gz KJHNZTPXWYTQCT-NWDGAFQWSA-N 2 2 263.341 2.306 20 5 CEBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000420355527 395343316 /nfs/dbraw/zinc/34/33/16/395343316.db2.gz BYZDODPAWUKGOX-JTNHKYCSSA-N 2 2 263.341 2.071 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423361770 270904379 /nfs/dbraw/zinc/90/43/79/270904379.db2.gz MOHAEIDKOZVIFR-MJVIPROJSA-N 2 2 263.341 2.243 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423331105 281024480 /nfs/dbraw/zinc/02/44/80/281024480.db2.gz UQXVREGBBHMCQN-MFKMUULPSA-N 2 2 263.341 2.291 20 5 CEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000363451608 527462001 /nfs/dbraw/zinc/46/20/01/527462001.db2.gz VTTGSFMSOQUXHE-CYBMUJFWSA-N 2 2 286.335 2.318 20 5 CEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000363451608 527462006 /nfs/dbraw/zinc/46/20/06/527462006.db2.gz VTTGSFMSOQUXHE-CYBMUJFWSA-N 2 2 286.335 2.318 20 5 CEBDLP CC1(C)C[C@@H]([NH2+]CC2([NH3+])CC2)c2cc([N+](=O)[O-])ccc21 ZINC000902407795 634622062 /nfs/dbraw/zinc/62/20/62/634622062.db2.gz VALFUGVXFSYFOY-CYBMUJFWSA-N 2 2 275.352 2.398 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000902412766 634630834 /nfs/dbraw/zinc/63/08/34/634630834.db2.gz DFZMQMFSJVZLCR-JTQLQIEISA-N 2 2 279.340 2.135 20 5 CEBDLP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000903988434 635407100 /nfs/dbraw/zinc/40/71/00/635407100.db2.gz RGQWJRXJHNTTEC-WCBMZHEXSA-N 2 2 273.283 2.228 20 5 CEBDLP C[C@H]1CCC[N@@H+]1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877154717 650600134 /nfs/dbraw/zinc/60/01/34/650600134.db2.gz XMEGQNWCZJBNFX-ZDUSSCGKSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@H]1CCC[N@H+]1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877154717 650600136 /nfs/dbraw/zinc/60/01/36/650600136.db2.gz XMEGQNWCZJBNFX-ZDUSSCGKSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC000866215035 647675212 /nfs/dbraw/zinc/67/52/12/647675212.db2.gz HIYZFSXGBTVFBU-NSHDSACASA-N 2 2 292.314 2.151 20 5 CEBDLP C[C@@H](CC[NH2+]Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000700488907 809316004 /nfs/dbraw/zinc/31/60/04/809316004.db2.gz LHNUCJYKDIVCLE-NSHDSACASA-N 2 2 251.330 2.025 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc([N+](=O)[O-])c1 ZINC000124406202 187136104 /nfs/dbraw/zinc/13/61/04/187136104.db2.gz IJOXFKSUCLPLGF-UHFFFAOYSA-N 2 2 274.324 2.313 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc([N+](=O)[O-])c1 ZINC000124406202 187136105 /nfs/dbraw/zinc/13/61/05/187136105.db2.gz IJOXFKSUCLPLGF-UHFFFAOYSA-N 2 2 274.324 2.313 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000601324118 346820237 /nfs/dbraw/zinc/82/02/37/346820237.db2.gz JIXUILUPCLBFHF-CYBMUJFWSA-N 2 2 293.367 2.177 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000601324118 346820241 /nfs/dbraw/zinc/82/02/41/346820241.db2.gz JIXUILUPCLBFHF-CYBMUJFWSA-N 2 2 293.367 2.177 20 5 CEBDLP CC[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122258346 344305846 /nfs/dbraw/zinc/30/58/46/344305846.db2.gz XPAPEKSISHHOGV-QWRGUYRKSA-N 2 2 269.370 2.216 20 5 CEBDLP CC[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122258346 344305848 /nfs/dbraw/zinc/30/58/48/344305848.db2.gz XPAPEKSISHHOGV-QWRGUYRKSA-N 2 2 269.370 2.216 20 5 CEBDLP CC[N@H+](CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000218468750 344536499 /nfs/dbraw/zinc/53/64/99/344536499.db2.gz WAUCLXKHRMVIPY-UHFFFAOYSA-N 2 2 277.368 2.211 20 5 CEBDLP CC[N@@H+](CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000218468750 344536501 /nfs/dbraw/zinc/53/65/01/344536501.db2.gz WAUCLXKHRMVIPY-UHFFFAOYSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281900 345237613 /nfs/dbraw/zinc/23/76/13/345237613.db2.gz UDXZZHDLQRDLED-UBHSHLNASA-N 2 2 295.358 2.206 20 5 CEBDLP CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489426 345359780 /nfs/dbraw/zinc/35/97/80/345359780.db2.gz VKNYNMWFGGMIMK-MFKMUULPSA-N 2 2 281.331 2.293 20 5 CEBDLP CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489426 345359782 /nfs/dbraw/zinc/35/97/82/345359782.db2.gz VKNYNMWFGGMIMK-MFKMUULPSA-N 2 2 281.331 2.293 20 5 CEBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1C[NH+](C)C1 ZINC000597202667 346147322 /nfs/dbraw/zinc/14/73/22/346147322.db2.gz HTDOXUYLAUFMGH-FNORWQNLSA-N 2 2 275.352 2.101 20 5 CEBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1C[NH+](C)C1 ZINC000597202667 346147324 /nfs/dbraw/zinc/14/73/24/346147324.db2.gz HTDOXUYLAUFMGH-FNORWQNLSA-N 2 2 275.352 2.101 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1C[NH+]2CCC1CC2 ZINC000602751623 347185041 /nfs/dbraw/zinc/18/50/41/347185041.db2.gz JVVBVDDUIPBYIT-MRXNPFEDSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1C[NH+]2CCC1CC2 ZINC000602751623 347185043 /nfs/dbraw/zinc/18/50/43/347185043.db2.gz JVVBVDDUIPBYIT-MRXNPFEDSA-N 2 2 289.379 2.429 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000123270776 187081917 /nfs/dbraw/zinc/08/19/17/187081917.db2.gz YTNBQSGPPSRBKB-JSGCOSHPSA-N 2 2 289.379 2.352 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000123270776 187081918 /nfs/dbraw/zinc/08/19/18/187081918.db2.gz YTNBQSGPPSRBKB-JSGCOSHPSA-N 2 2 289.379 2.352 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)c1 ZINC000131770360 366087137 /nfs/dbraw/zinc/08/71/37/366087137.db2.gz JTDHHIXUQBGEQL-UHFFFAOYSA-N 2 2 286.335 2.456 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)c1 ZINC000131770360 366087143 /nfs/dbraw/zinc/08/71/43/366087143.db2.gz JTDHHIXUQBGEQL-UHFFFAOYSA-N 2 2 286.335 2.456 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261961750 371785963 /nfs/dbraw/zinc/78/59/63/371785963.db2.gz HJLMLDZXMHASPV-OAHLLOKOSA-N 2 2 275.352 2.089 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261961750 371785967 /nfs/dbraw/zinc/78/59/67/371785967.db2.gz HJLMLDZXMHASPV-OAHLLOKOSA-N 2 2 275.352 2.089 20 5 CEBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998684 374119899 /nfs/dbraw/zinc/11/98/99/374119899.db2.gz GAIWUEYRQQDBLV-DOMZBBRYSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998684 374119903 /nfs/dbraw/zinc/11/99/03/374119903.db2.gz GAIWUEYRQQDBLV-DOMZBBRYSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998684 374119908 /nfs/dbraw/zinc/11/99/08/374119908.db2.gz GAIWUEYRQQDBLV-DOMZBBRYSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998684 374119915 /nfs/dbraw/zinc/11/99/15/374119915.db2.gz GAIWUEYRQQDBLV-DOMZBBRYSA-N 2 2 277.368 2.367 20 5 CEBDLP CCC[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423318185 377247838 /nfs/dbraw/zinc/24/78/38/377247838.db2.gz CVOZLGBGILDBBE-ZWNOBZJWSA-N 2 2 251.330 2.373 20 5 CEBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562322 379394064 /nfs/dbraw/zinc/39/40/64/379394064.db2.gz GEJKZWTXOANWHT-FZMZJTMJSA-N 2 2 275.352 2.266 20 5 CEBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562322 379394069 /nfs/dbraw/zinc/39/40/69/379394069.db2.gz GEJKZWTXOANWHT-FZMZJTMJSA-N 2 2 275.352 2.266 20 5 CEBDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254951 219003078 /nfs/dbraw/zinc/00/30/78/219003078.db2.gz RXCOUAHOQSXIAJ-MFKMUULPSA-N 2 2 297.786 2.330 20 5 CEBDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254951 219003081 /nfs/dbraw/zinc/00/30/81/219003081.db2.gz RXCOUAHOQSXIAJ-MFKMUULPSA-N 2 2 297.786 2.330 20 5 CEBDLP C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000261652616 394604985 /nfs/dbraw/zinc/60/49/85/394604985.db2.gz DKAGYBLNIIGIJN-CMPLNLGQSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000261652616 394604989 /nfs/dbraw/zinc/60/49/89/394604989.db2.gz DKAGYBLNIIGIJN-CMPLNLGQSA-N 2 2 281.331 2.151 20 5 CEBDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414856428 394773958 /nfs/dbraw/zinc/77/39/58/394773958.db2.gz ZAYBCMBZRQXYJN-GFCCVEGCSA-N 2 2 251.330 2.058 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414949812 394818843 /nfs/dbraw/zinc/81/88/43/394818843.db2.gz GUWGCINAFISUQZ-AAEUAGOBSA-N 2 2 263.341 2.133 20 5 CEBDLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000415084572 394881440 /nfs/dbraw/zinc/88/14/40/394881440.db2.gz OVJIMCDUUIKTKC-LBPRGKRZSA-N 2 2 251.330 2.058 20 5 CEBDLP C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420327697 395329916 /nfs/dbraw/zinc/32/99/16/395329916.db2.gz DOUUTLKYGURQOQ-CHWSQXEVSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420327697 395329921 /nfs/dbraw/zinc/32/99/21/395329921.db2.gz DOUUTLKYGURQOQ-CHWSQXEVSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037249545 173062467 /nfs/dbraw/zinc/06/24/67/173062467.db2.gz GVSHKOXOOBJWHK-NSHDSACASA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573172 271393022 /nfs/dbraw/zinc/39/30/22/271393022.db2.gz QADHWBARZKCGQX-WDEREUQCSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573172 271393027 /nfs/dbraw/zinc/39/30/27/271393027.db2.gz QADHWBARZKCGQX-WDEREUQCSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000122272459 289051437 /nfs/dbraw/zinc/05/14/37/289051437.db2.gz ZAXXZKSBQOOHOJ-AAEUAGOBSA-N 2 2 275.352 2.310 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000122272459 289051441 /nfs/dbraw/zinc/05/14/41/289051441.db2.gz ZAXXZKSBQOOHOJ-AAEUAGOBSA-N 2 2 275.352 2.310 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000367945348 527395610 /nfs/dbraw/zinc/39/56/10/527395610.db2.gz WCVXSVVJKCFPKR-HWKANZROSA-N 2 2 284.319 2.320 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2c[nH+]cc2C1 ZINC000367945348 527395612 /nfs/dbraw/zinc/39/56/12/527395612.db2.gz WCVXSVVJKCFPKR-HWKANZROSA-N 2 2 284.319 2.320 20 5 CEBDLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841064696 632383596 /nfs/dbraw/zinc/38/35/96/632383596.db2.gz TVDSJLSMUUCZGT-BXKDBHETSA-N 2 2 283.759 2.336 20 5 CEBDLP C[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123305204 648913984 /nfs/dbraw/zinc/91/39/84/648913984.db2.gz VFOFYRDWGSKVMR-UHFFFAOYSA-N 2 2 257.721 2.029 20 5 CEBDLP C[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123305204 648913986 /nfs/dbraw/zinc/91/39/86/648913986.db2.gz VFOFYRDWGSKVMR-UHFFFAOYSA-N 2 2 257.721 2.029 20 5 CEBDLP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062033 649258573 /nfs/dbraw/zinc/25/85/73/649258573.db2.gz BPFWPVDDMIQENZ-JTQLQIEISA-N 2 2 292.314 2.361 20 5 CEBDLP C[NH2+]C[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001117953826 814969177 /nfs/dbraw/zinc/96/91/77/814969177.db2.gz REAOFVMROCDXNS-VIFPVBQESA-N 2 2 271.748 2.193 20 5 CEBDLP C[C@@H](C[N+](C)(C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953681 810516451 /nfs/dbraw/zinc/51/64/51/810516451.db2.gz CTFHKGJTFAEGST-ZDUSSCGKSA-N 2 2 260.361 2.346 20 5 CEBDLP CC(C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110814 282104124 /nfs/dbraw/zinc/10/41/24/282104124.db2.gz GWJUYPQKXVXHDN-CYBMUJFWSA-N 2 2 279.384 2.456 20 5 CEBDLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110814 282104125 /nfs/dbraw/zinc/10/41/25/282104125.db2.gz GWJUYPQKXVXHDN-CYBMUJFWSA-N 2 2 279.384 2.456 20 5 CEBDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527679 343679188 /nfs/dbraw/zinc/67/91/88/343679188.db2.gz MJSKWZJFYFRDCW-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527679 343679193 /nfs/dbraw/zinc/67/91/93/343679193.db2.gz MJSKWZJFYFRDCW-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527679 343679196 /nfs/dbraw/zinc/67/91/96/343679196.db2.gz MJSKWZJFYFRDCW-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527679 343679197 /nfs/dbraw/zinc/67/91/97/343679197.db2.gz MJSKWZJFYFRDCW-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP Cc1c(C[NH2+]Cc2c[nH+]c3n2CCC3)cccc1[N+](=O)[O-] ZINC000594938258 345710007 /nfs/dbraw/zinc/71/00/07/345710007.db2.gz LISUADABLPPYHH-UHFFFAOYSA-N 2 2 286.335 2.336 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598720327 346407370 /nfs/dbraw/zinc/40/73/70/346407370.db2.gz PZOYLIOUEGCANL-HIFRSBDPSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598720327 346407373 /nfs/dbraw/zinc/40/73/73/346407373.db2.gz PZOYLIOUEGCANL-HIFRSBDPSA-N 2 2 275.352 2.216 20 5 CEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+]4CCC3CC4)c2c1 ZINC000601152900 346771668 /nfs/dbraw/zinc/77/16/68/346771668.db2.gz IQKNOPCCTZIOTF-UHFFFAOYSA-N 2 2 298.346 2.427 20 5 CEBDLP Cc1c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000400339394 233176047 /nfs/dbraw/zinc/17/60/47/233176047.db2.gz GITLJDFOKVPLOZ-YPMHNXCESA-N 2 2 263.341 2.133 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720991 180031552 /nfs/dbraw/zinc/03/15/52/180031552.db2.gz GIDRIXQCXJHTJO-AAEUAGOBSA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000090720991 180031553 /nfs/dbraw/zinc/03/15/53/180031553.db2.gz GIDRIXQCXJHTJO-AAEUAGOBSA-N 2 2 263.341 2.167 20 5 CEBDLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352539969 369777549 /nfs/dbraw/zinc/77/75/49/369777549.db2.gz FRROZFPUYWYZBZ-INIZCTEOSA-N 2 2 289.379 2.479 20 5 CEBDLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352539969 369777550 /nfs/dbraw/zinc/77/75/50/369777550.db2.gz FRROZFPUYWYZBZ-INIZCTEOSA-N 2 2 289.379 2.479 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261712658 371708646 /nfs/dbraw/zinc/70/86/46/371708646.db2.gz JNTHPABOQKNFSC-UXIGCNINSA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261712658 371708651 /nfs/dbraw/zinc/70/86/51/371708651.db2.gz JNTHPABOQKNFSC-UXIGCNINSA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261778532 371727917 /nfs/dbraw/zinc/72/79/17/371727917.db2.gz PIMLVSPVIQUPFE-DOMZBBRYSA-N 2 2 275.352 2.341 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261778532 371727926 /nfs/dbraw/zinc/72/79/26/371727926.db2.gz PIMLVSPVIQUPFE-DOMZBBRYSA-N 2 2 275.352 2.341 20 5 CEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cc[nH+]c1 ZINC000344856994 217334872 /nfs/dbraw/zinc/33/48/72/217334872.db2.gz FPCXXEUPYATGHT-LCYFTJDESA-N 2 2 286.335 2.484 20 5 CEBDLP O=[N+]([O-])c1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376727626 374723180 /nfs/dbraw/zinc/72/31/80/374723180.db2.gz FPIQXVAMZROTNJ-UHFFFAOYSA-N 2 2 286.335 2.417 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415066053 376019266 /nfs/dbraw/zinc/01/92/66/376019266.db2.gz INBLNIHRACVACA-VSKVDJIOSA-N 2 2 275.352 2.340 20 5 CEBDLP [NH3+]C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414804650 375989575 /nfs/dbraw/zinc/98/95/75/375989575.db2.gz OSQKERSTPXLFHC-LBPRGKRZSA-N 2 2 269.732 2.075 20 5 CEBDLP CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422950080 376872940 /nfs/dbraw/zinc/87/29/40/376872940.db2.gz VDWZBOPLCSYZGB-OLZOCXBDSA-N 2 2 263.341 2.215 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423232836 377150292 /nfs/dbraw/zinc/15/02/92/377150292.db2.gz ITHZGDDTBBZLLV-AAEUAGOBSA-N 2 2 263.341 2.306 20 5 CEBDLP CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000430923631 377568369 /nfs/dbraw/zinc/56/83/69/377568369.db2.gz FKHIVCXBIUZJNB-CQSZACIVSA-N 2 2 293.367 2.048 20 5 CEBDLP CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000430923631 377568375 /nfs/dbraw/zinc/56/83/75/377568375.db2.gz FKHIVCXBIUZJNB-CQSZACIVSA-N 2 2 293.367 2.048 20 5 CEBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000565724706 377691683 /nfs/dbraw/zinc/69/16/83/377691683.db2.gz QZJNYTKORCJFBF-HRLNJXSSSA-N 2 2 275.352 2.420 20 5 CEBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000565724706 377691692 /nfs/dbraw/zinc/69/16/92/377691692.db2.gz QZJNYTKORCJFBF-HRLNJXSSSA-N 2 2 275.352 2.420 20 5 CEBDLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000299036638 378881726 /nfs/dbraw/zinc/88/17/26/378881726.db2.gz LZRAQUMUWQHPIG-UHFFFAOYSA-N 2 2 274.324 2.232 20 5 CEBDLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000299036638 378881735 /nfs/dbraw/zinc/88/17/35/378881735.db2.gz LZRAQUMUWQHPIG-UHFFFAOYSA-N 2 2 274.324 2.232 20 5 CEBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562323 379394633 /nfs/dbraw/zinc/39/46/33/379394633.db2.gz GEJKZWTXOANWHT-RISCZKNCSA-N 2 2 275.352 2.266 20 5 CEBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562323 379394639 /nfs/dbraw/zinc/39/46/39/379394639.db2.gz GEJKZWTXOANWHT-RISCZKNCSA-N 2 2 275.352 2.266 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000414841754 394765931 /nfs/dbraw/zinc/76/59/31/394765931.db2.gz LXXDSMPKGBDJII-UHFFFAOYSA-N 2 2 281.331 2.485 20 5 CEBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000415052030 394864598 /nfs/dbraw/zinc/86/45/98/394864598.db2.gz GSLNWBGGMVSLGM-GFCCVEGCSA-N 2 2 269.320 2.197 20 5 CEBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000415056649 394867286 /nfs/dbraw/zinc/86/72/86/394867286.db2.gz QBFLYESDDUYRHX-VIFPVBQESA-N 2 2 257.359 2.119 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415066049 394872389 /nfs/dbraw/zinc/87/23/89/394872389.db2.gz INBLNIHRACVACA-DYLGSBMWSA-N 2 2 275.352 2.340 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494408954 395111628 /nfs/dbraw/zinc/11/16/28/395111628.db2.gz FOQWPFOKYHEDCQ-PKXJPQMGSA-N 2 2 298.346 2.409 20 5 CEBDLP C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000420341740 395335818 /nfs/dbraw/zinc/33/58/18/395335818.db2.gz QDIZRXZWBNEYNB-JSGCOSHPSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000420341740 395335824 /nfs/dbraw/zinc/33/58/24/395335824.db2.gz QDIZRXZWBNEYNB-JSGCOSHPSA-N 2 2 293.367 2.033 20 5 CEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000420363041 395349457 /nfs/dbraw/zinc/34/94/57/395349457.db2.gz NRDKIVPKYNPDNF-CYBMUJFWSA-N 2 2 281.331 2.212 20 5 CEBDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000044534326 175197047 /nfs/dbraw/zinc/19/70/47/175197047.db2.gz IOPHYIKDXLXESS-LBPRGKRZSA-N 2 2 263.341 2.026 20 5 CEBDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000044534326 175197048 /nfs/dbraw/zinc/19/70/48/175197048.db2.gz IOPHYIKDXLXESS-LBPRGKRZSA-N 2 2 263.341 2.026 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423327389 270897631 /nfs/dbraw/zinc/89/76/31/270897631.db2.gz RKRJQHZVDRJGQZ-GXFFZTMASA-N 2 2 293.367 2.381 20 5 CEBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000430573394 271392000 /nfs/dbraw/zinc/39/20/00/271392000.db2.gz QUWUFUJLMFFYIU-CYBMUJFWSA-N 2 2 251.330 2.058 20 5 CEBDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207549 314078584 /nfs/dbraw/zinc/07/85/84/314078584.db2.gz BUAIGYBRQBXHQT-IUODEOHRSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207549 314078585 /nfs/dbraw/zinc/07/85/85/314078585.db2.gz BUAIGYBRQBXHQT-IUODEOHRSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207549 314078588 /nfs/dbraw/zinc/07/85/88/314078588.db2.gz BUAIGYBRQBXHQT-IUODEOHRSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207549 314078590 /nfs/dbraw/zinc/07/85/90/314078590.db2.gz BUAIGYBRQBXHQT-IUODEOHRSA-N 2 2 277.368 2.367 20 5 CEBDLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000903845246 635302656 /nfs/dbraw/zinc/30/26/56/635302656.db2.gz GBAZOKVYXWYFMK-DCAQKATOSA-N 2 2 279.315 2.046 20 5 CEBDLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000903845246 635302663 /nfs/dbraw/zinc/30/26/63/635302663.db2.gz GBAZOKVYXWYFMK-DCAQKATOSA-N 2 2 279.315 2.046 20 5 CEBDLP CC(C)c1ccc(C[NH2+]CC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000904451631 635641803 /nfs/dbraw/zinc/64/18/03/635641803.db2.gz XJNNMBFYTFVACY-UHFFFAOYSA-N 2 2 263.341 2.299 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841062260 639638188 /nfs/dbraw/zinc/63/81/88/639638188.db2.gz VBXXYMNTUQVEGO-GXSJLCMTSA-N 2 2 283.759 2.478 20 5 CEBDLP Cc1c(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739650 650882790 /nfs/dbraw/zinc/88/27/90/650882790.db2.gz PKWBIRBJBDJJRI-GOEBONIOSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739650 650882794 /nfs/dbraw/zinc/88/27/94/650882794.db2.gz PKWBIRBJBDJJRI-GOEBONIOSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739650 650882799 /nfs/dbraw/zinc/88/27/99/650882799.db2.gz PKWBIRBJBDJJRI-GOEBONIOSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739650 650882806 /nfs/dbraw/zinc/88/28/06/650882806.db2.gz PKWBIRBJBDJJRI-GOEBONIOSA-N 2 2 289.379 2.429 20 5 CEBDLP [NH2+]=C(Nc1ccc([N+](=O)[O-])c2cnccc12)SCC[NH3+] ZINC001167914128 804354466 /nfs/dbraw/zinc/35/44/66/804354466.db2.gz HWKGIPFWYCYZIE-UHFFFAOYSA-N 2 2 291.336 2.182 20 5 CEBDLP C[C@@]1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC001120263098 815209124 /nfs/dbraw/zinc/20/91/24/815209124.db2.gz JZIFYFBYUUDOSY-MRXNPFEDSA-N 2 2 289.379 2.343 20 5 CEBDLP C[C@@]1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC001120263098 815209129 /nfs/dbraw/zinc/20/91/29/815209129.db2.gz JZIFYFBYUUDOSY-MRXNPFEDSA-N 2 2 289.379 2.343 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001173217281 815623390 /nfs/dbraw/zinc/62/33/90/815623390.db2.gz RMNCEMVWWMFAEO-CYBMUJFWSA-N 2 2 288.351 2.402 20 5 CEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1CC[NH3+] ZINC001173215143 815623518 /nfs/dbraw/zinc/62/35/18/815623518.db2.gz SYLNLBKRLDWWPB-NSHDSACASA-N 2 2 274.324 2.096 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC000449065269 282086138 /nfs/dbraw/zinc/08/61/38/282086138.db2.gz YHUJNISEIBVQPK-GFCCVEGCSA-N 2 2 274.324 2.012 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000449131013 282112154 /nfs/dbraw/zinc/11/21/54/282112154.db2.gz JOCYCGBFVMUMIF-OCCSQVGLSA-N 2 2 289.379 2.352 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000449131013 282112158 /nfs/dbraw/zinc/11/21/58/282112158.db2.gz JOCYCGBFVMUMIF-OCCSQVGLSA-N 2 2 289.379 2.352 20 5 CEBDLP CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000313445294 344742236 /nfs/dbraw/zinc/74/22/36/344742236.db2.gz BDUINTVHMWQDMM-QMTHXVAHSA-N 2 2 281.331 2.293 20 5 CEBDLP CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000313445294 344742239 /nfs/dbraw/zinc/74/22/39/344742239.db2.gz BDUINTVHMWQDMM-QMTHXVAHSA-N 2 2 281.331 2.293 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591577212 345265183 /nfs/dbraw/zinc/26/51/83/345265183.db2.gz BIPMHNTXWRXNCU-LLVKDONJSA-N 2 2 263.341 2.306 20 5 CEBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726280 345527878 /nfs/dbraw/zinc/52/78/78/345527878.db2.gz FVVYERRKXVVCJM-WZRBSPASSA-N 2 2 293.367 2.106 20 5 CEBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726280 345527879 /nfs/dbraw/zinc/52/78/79/345527879.db2.gz FVVYERRKXVVCJM-WZRBSPASSA-N 2 2 293.367 2.106 20 5 CEBDLP C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000593727024 345528620 /nfs/dbraw/zinc/52/86/20/345528620.db2.gz AMALLJDIICNCLO-FUNVUKJBSA-N 2 2 291.351 2.015 20 5 CEBDLP C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000593727024 345528621 /nfs/dbraw/zinc/52/86/21/345528621.db2.gz AMALLJDIICNCLO-FUNVUKJBSA-N 2 2 291.351 2.015 20 5 CEBDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595512900 345800691 /nfs/dbraw/zinc/80/06/91/345800691.db2.gz XSWRGDSNBIQNGS-OAHLLOKOSA-N 2 2 293.342 2.262 20 5 CEBDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595512900 345800693 /nfs/dbraw/zinc/80/06/93/345800693.db2.gz XSWRGDSNBIQNGS-OAHLLOKOSA-N 2 2 293.342 2.262 20 5 CEBDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595512900 345800695 /nfs/dbraw/zinc/80/06/95/345800695.db2.gz XSWRGDSNBIQNGS-OAHLLOKOSA-N 2 2 293.342 2.262 20 5 CEBDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595512900 345800697 /nfs/dbraw/zinc/80/06/97/345800697.db2.gz XSWRGDSNBIQNGS-OAHLLOKOSA-N 2 2 293.342 2.262 20 5 CEBDLP Cc1c(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682512 346400397 /nfs/dbraw/zinc/40/03/97/346400397.db2.gz OAJHYZVNBZZROJ-HIFRSBDPSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1c(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682512 346400399 /nfs/dbraw/zinc/40/03/99/346400399.db2.gz OAJHYZVNBZZROJ-HIFRSBDPSA-N 2 2 275.352 2.216 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684388 346400485 /nfs/dbraw/zinc/40/04/85/346400485.db2.gz WMCQKMNGQONLKA-LALPHHSUSA-N 2 2 275.352 2.469 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684388 346400487 /nfs/dbraw/zinc/40/04/87/346400487.db2.gz WMCQKMNGQONLKA-LALPHHSUSA-N 2 2 275.352 2.469 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494408950 290972095 /nfs/dbraw/zinc/97/20/95/290972095.db2.gz FOQWPFOKYHEDCQ-KQIUPUNMSA-N 2 2 298.346 2.409 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349381625 369315109 /nfs/dbraw/zinc/31/51/09/369315109.db2.gz HVDIQEHVQVJHSK-UHFFFAOYSA-N 2 2 290.323 2.019 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349381625 369315114 /nfs/dbraw/zinc/31/51/14/369315114.db2.gz HVDIQEHVQVJHSK-UHFFFAOYSA-N 2 2 290.323 2.019 20 5 CEBDLP C[NH2+]C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261577876 371659637 /nfs/dbraw/zinc/65/96/37/371659637.db2.gz CXIUGZKLJUKFEL-LLVKDONJSA-N 2 2 263.341 2.340 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377719117 374933829 /nfs/dbraw/zinc/93/38/29/374933829.db2.gz GVYXUXOBEJKDDJ-GFCCVEGCSA-N 2 2 286.335 2.273 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377719117 374933837 /nfs/dbraw/zinc/93/38/37/374933837.db2.gz GVYXUXOBEJKDDJ-GFCCVEGCSA-N 2 2 286.335 2.273 20 5 CEBDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414807324 375992830 /nfs/dbraw/zinc/99/28/30/375992830.db2.gz CPBQEQMJPDHOTP-NSHDSACASA-N 2 2 269.320 2.341 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423180008 377092225 /nfs/dbraw/zinc/09/22/25/377092225.db2.gz DSMBHFFMZZQOCM-AAEUAGOBSA-N 2 2 293.367 2.396 20 5 CEBDLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423244078 377164295 /nfs/dbraw/zinc/16/42/95/377164295.db2.gz XIRSMSSAKOAIAV-OCCSQVGLSA-N 2 2 263.341 2.388 20 5 CEBDLP Cc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414854832 394772128 /nfs/dbraw/zinc/77/21/28/394772128.db2.gz VREBLKGXDPIZBQ-ZDUSSCGKSA-N 2 2 265.357 2.366 20 5 CEBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414925438 394806310 /nfs/dbraw/zinc/80/63/10/394806310.db2.gz HXOLBHRIMPRXBS-SNVBAGLBSA-N 2 2 275.308 2.292 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000122272314 394811371 /nfs/dbraw/zinc/81/13/71/394811371.db2.gz ZAXXZKSBQOOHOJ-YPMHNXCESA-N 2 2 275.352 2.310 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000122272314 394811374 /nfs/dbraw/zinc/81/13/74/394811374.db2.gz ZAXXZKSBQOOHOJ-YPMHNXCESA-N 2 2 275.352 2.310 20 5 CEBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000415052422 394866484 /nfs/dbraw/zinc/86/64/84/394866484.db2.gz LEPXHFYFBWSCPN-GFCCVEGCSA-N 2 2 251.330 2.058 20 5 CEBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000415013111 394849605 /nfs/dbraw/zinc/84/96/05/394849605.db2.gz KCADZWQGIPLYAO-JGVFFNPUSA-N 2 2 257.721 2.074 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415037434 394858665 /nfs/dbraw/zinc/85/86/65/394858665.db2.gz LCXNZZRHPCOMCM-CYBMUJFWSA-N 2 2 263.341 2.133 20 5 CEBDLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423570070 394953624 /nfs/dbraw/zinc/95/36/24/394953624.db2.gz WUCXFEHCMKPWOE-AAEUAGOBSA-N 2 2 263.341 2.388 20 5 CEBDLP C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420327700 395329013 /nfs/dbraw/zinc/32/90/13/395329013.db2.gz DOUUTLKYGURQOQ-STQMWFEESA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420327700 395329018 /nfs/dbraw/zinc/32/90/18/395329018.db2.gz DOUUTLKYGURQOQ-STQMWFEESA-N 2 2 293.367 2.033 20 5 CEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366952686 156108482 /nfs/dbraw/zinc/10/84/82/156108482.db2.gz AXQFBDPAHOTYEJ-ZDUSSCGKSA-N 2 2 286.335 2.318 20 5 CEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366952686 156108486 /nfs/dbraw/zinc/10/84/86/156108486.db2.gz AXQFBDPAHOTYEJ-ZDUSSCGKSA-N 2 2 286.335 2.318 20 5 CEBDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133544626 280000408 /nfs/dbraw/zinc/00/04/08/280000408.db2.gz YAAZDNIASYIDFJ-CQSZACIVSA-N 2 2 289.379 2.437 20 5 CEBDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133544626 280000410 /nfs/dbraw/zinc/00/04/10/280000410.db2.gz YAAZDNIASYIDFJ-CQSZACIVSA-N 2 2 289.379 2.437 20 5 CEBDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133544626 280000413 /nfs/dbraw/zinc/00/04/13/280000413.db2.gz YAAZDNIASYIDFJ-CQSZACIVSA-N 2 2 289.379 2.437 20 5 CEBDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133544626 280000417 /nfs/dbraw/zinc/00/04/17/280000417.db2.gz YAAZDNIASYIDFJ-CQSZACIVSA-N 2 2 289.379 2.437 20 5 CEBDLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423433986 281040038 /nfs/dbraw/zinc/04/00/38/281040038.db2.gz CSKCJRXIGLUKMZ-MXWKQRLJSA-N 2 2 251.330 2.290 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895296739 630089587 /nfs/dbraw/zinc/08/95/87/630089587.db2.gz DEQAQTADHXHTAQ-LBPRGKRZSA-N 2 2 295.383 2.423 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000841061444 639638524 /nfs/dbraw/zinc/63/85/24/639638524.db2.gz JIEJOXUZCIWWFX-CABZTGNLSA-N 2 2 283.759 2.478 20 5 CEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842476181 640075436 /nfs/dbraw/zinc/07/54/36/640075436.db2.gz ISCCHAHKYZBXAK-CYBMUJFWSA-N 2 2 281.331 2.212 20 5 CEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057860 640259407 /nfs/dbraw/zinc/25/94/07/640259407.db2.gz MRTSRRRUGCOMQJ-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057860 640259411 /nfs/dbraw/zinc/25/94/11/640259411.db2.gz MRTSRRRUGCOMQJ-ZJUUUORDSA-N 2 2 283.759 2.417 20 5 CEBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070150161 641637071 /nfs/dbraw/zinc/63/70/71/641637071.db2.gz XAYSJIDDGYHFLH-CYBMUJFWSA-N 2 2 281.331 2.437 20 5 CEBDLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070150161 641637074 /nfs/dbraw/zinc/63/70/74/641637074.db2.gz XAYSJIDDGYHFLH-CYBMUJFWSA-N 2 2 281.331 2.437 20 5 CEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000866242656 647690212 /nfs/dbraw/zinc/69/02/12/647690212.db2.gz QJVLPKJOFYJZIL-BXUZGUMPSA-N 2 2 295.358 2.349 20 5 CEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1C ZINC000866242656 647690217 /nfs/dbraw/zinc/69/02/17/647690217.db2.gz QJVLPKJOFYJZIL-BXUZGUMPSA-N 2 2 295.358 2.349 20 5 CEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000866242659 647690409 /nfs/dbraw/zinc/69/04/09/647690409.db2.gz QJVLPKJOFYJZIL-FZMZJTMJSA-N 2 2 295.358 2.349 20 5 CEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000866242659 647690413 /nfs/dbraw/zinc/69/04/13/647690413.db2.gz QJVLPKJOFYJZIL-FZMZJTMJSA-N 2 2 295.358 2.349 20 5 CEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)[NH+](C)C ZINC000866259945 647700754 /nfs/dbraw/zinc/70/07/54/647700754.db2.gz RCGNRVQYUSNYLZ-GHMZBOCLSA-N 2 2 283.347 2.205 20 5 CEBDLP CC(C)[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169054295 811359547 /nfs/dbraw/zinc/35/95/47/811359547.db2.gz LLIVJFWEGPSBHL-UKRRQHHQSA-N 2 2 283.416 2.236 20 5 CEBDLP CC(C)[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169054295 811359557 /nfs/dbraw/zinc/35/95/57/811359557.db2.gz LLIVJFWEGPSBHL-UKRRQHHQSA-N 2 2 283.416 2.236 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000449088417 282095483 /nfs/dbraw/zinc/09/54/83/282095483.db2.gz IENCGVRCLISDOV-BLLLJJGKSA-N 2 2 291.395 2.456 20 5 CEBDLP CC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108159 282102975 /nfs/dbraw/zinc/10/29/75/282102975.db2.gz PXFFHIHSGGYFEH-LBPRGKRZSA-N 2 2 265.357 2.067 20 5 CEBDLP CC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108159 282102978 /nfs/dbraw/zinc/10/29/78/282102978.db2.gz PXFFHIHSGGYFEH-LBPRGKRZSA-N 2 2 265.357 2.067 20 5 CEBDLP C[NH+](C)CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281481841 344675825 /nfs/dbraw/zinc/67/58/25/344675825.db2.gz SLIXSSHFSQIOON-UHFFFAOYSA-N 2 2 277.368 2.211 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000595005130 345724752 /nfs/dbraw/zinc/72/47/52/345724752.db2.gz YAMIBCHWQZRJBZ-NSHDSACASA-N 2 2 290.323 2.151 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684390 346400436 /nfs/dbraw/zinc/40/04/36/346400436.db2.gz WMCQKMNGQONLKA-XUJVJEKNSA-N 2 2 275.352 2.469 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684390 346400438 /nfs/dbraw/zinc/40/04/38/346400438.db2.gz WMCQKMNGQONLKA-XUJVJEKNSA-N 2 2 275.352 2.469 20 5 CEBDLP C[NH+](C)[C@@H]1[C@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000599084828 346457927 /nfs/dbraw/zinc/45/79/27/346457927.db2.gz YYCSIDQQFBVWDX-FICVDOATSA-N 2 2 298.346 2.139 20 5 CEBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602751650 347185328 /nfs/dbraw/zinc/18/53/28/347185328.db2.gz KJZVZTXEBXYYKP-OAHLLOKOSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602751650 347185330 /nfs/dbraw/zinc/18/53/30/347185330.db2.gz KJZVZTXEBXYYKP-OAHLLOKOSA-N 2 2 275.352 2.121 20 5 CEBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000084439731 363809688 /nfs/dbraw/zinc/80/96/88/363809688.db2.gz RDAAZZIWHPBJAM-UHFFFAOYSA-N 2 2 280.715 2.235 20 5 CEBDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000252728216 371474380 /nfs/dbraw/zinc/47/43/80/371474380.db2.gz AJJVZNVUFMROBX-WCQYABFASA-N 2 2 263.341 2.025 20 5 CEBDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000252728216 371474386 /nfs/dbraw/zinc/47/43/86/371474386.db2.gz AJJVZNVUFMROBX-WCQYABFASA-N 2 2 263.341 2.025 20 5 CEBDLP CCC([NH3+])(CC)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414798793 375982999 /nfs/dbraw/zinc/98/29/99/375982999.db2.gz FVLSJKUSQKBXTB-UHFFFAOYSA-N 2 2 257.359 2.263 20 5 CEBDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343784 376741509 /nfs/dbraw/zinc/74/15/09/376741509.db2.gz FQRMSYDAPNILNM-ZYHUDNBSSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343784 376741517 /nfs/dbraw/zinc/74/15/17/376741517.db2.gz FQRMSYDAPNILNM-ZYHUDNBSSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343784 376741521 /nfs/dbraw/zinc/74/15/21/376741521.db2.gz FQRMSYDAPNILNM-ZYHUDNBSSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000290343784 376741529 /nfs/dbraw/zinc/74/15/29/376741529.db2.gz FQRMSYDAPNILNM-ZYHUDNBSSA-N 2 2 283.397 2.428 20 5 CEBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043148 376948604 /nfs/dbraw/zinc/94/86/04/376948604.db2.gz NLYCGBZZMCRVAA-GXFFZTMASA-N 2 2 297.786 2.378 20 5 CEBDLP CC[NH2+]CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423235446 377154878 /nfs/dbraw/zinc/15/48/78/377154878.db2.gz AZOGOAYYKFKWED-LLVKDONJSA-N 2 2 251.330 2.163 20 5 CEBDLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000313268206 249390986 /nfs/dbraw/zinc/39/09/86/249390986.db2.gz VMLTXNJZHUVUDF-NSHDSACASA-N 2 2 274.324 2.222 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347122602 218129087 /nfs/dbraw/zinc/12/90/87/218129087.db2.gz WISDEAGECRGNIJ-GFCCVEGCSA-N 2 2 293.367 2.164 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347122602 218129089 /nfs/dbraw/zinc/12/90/89/218129089.db2.gz WISDEAGECRGNIJ-GFCCVEGCSA-N 2 2 293.367 2.164 20 5 CEBDLP CC(C)[N@H+](C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000225586566 394469405 /nfs/dbraw/zinc/46/94/05/394469405.db2.gz WJIXJZGEXGCVPR-UHFFFAOYSA-N 2 2 271.386 2.476 20 5 CEBDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000225586566 394469406 /nfs/dbraw/zinc/46/94/06/394469406.db2.gz WJIXJZGEXGCVPR-UHFFFAOYSA-N 2 2 271.386 2.476 20 5 CEBDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414856430 394773740 /nfs/dbraw/zinc/77/37/40/394773740.db2.gz ZAYBCMBZRQXYJN-LBPRGKRZSA-N 2 2 251.330 2.058 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427110263 395092507 /nfs/dbraw/zinc/09/25/07/395092507.db2.gz KROUDXPRTWNKPP-ZTDBIZBLSA-N 2 2 287.363 2.292 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427110263 395092508 /nfs/dbraw/zinc/09/25/08/395092508.db2.gz KROUDXPRTWNKPP-ZTDBIZBLSA-N 2 2 287.363 2.292 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000494403588 395110819 /nfs/dbraw/zinc/11/08/19/395110819.db2.gz IDCFUTWONZISGD-LLVKDONJSA-N 2 2 290.298 2.035 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420394978 395369400 /nfs/dbraw/zinc/36/94/00/395369400.db2.gz SNYBWXXODTWIJX-JSGCOSHPSA-N 2 2 293.367 2.014 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420394978 395369402 /nfs/dbraw/zinc/36/94/02/395369402.db2.gz SNYBWXXODTWIJX-JSGCOSHPSA-N 2 2 293.367 2.014 20 5 CEBDLP C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000430542576 271387462 /nfs/dbraw/zinc/38/74/62/271387462.db2.gz KXPATGYQJNIKND-JSGCOSHPSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000430542576 271387463 /nfs/dbraw/zinc/38/74/63/271387463.db2.gz KXPATGYQJNIKND-JSGCOSHPSA-N 2 2 293.367 2.033 20 5 CEBDLP CC1(C)C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331550251 273589642 /nfs/dbraw/zinc/58/96/42/273589642.db2.gz IHYBRUJFRHKDSH-YGRLFVJLSA-N 2 2 275.352 2.269 20 5 CEBDLP C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000563951286 298810936 /nfs/dbraw/zinc/81/09/36/298810936.db2.gz XBYJPDRWLZBURL-DOMZBBRYSA-N 2 2 293.367 2.094 20 5 CEBDLP C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163898283 524293392 /nfs/dbraw/zinc/29/33/92/524293392.db2.gz RFINJYMKXDAPMK-JQWIXIFHSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163898283 524293401 /nfs/dbraw/zinc/29/34/01/524293401.db2.gz RFINJYMKXDAPMK-JQWIXIFHSA-N 2 2 281.331 2.151 20 5 CEBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261947720 629371185 /nfs/dbraw/zinc/37/11/85/629371185.db2.gz NMXIUTJDWSIDMD-JTQLQIEISA-N 2 2 269.732 2.029 20 5 CEBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261947720 629371191 /nfs/dbraw/zinc/37/11/91/629371191.db2.gz NMXIUTJDWSIDMD-JTQLQIEISA-N 2 2 269.732 2.029 20 5 CEBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057859 640260173 /nfs/dbraw/zinc/26/01/73/640260173.db2.gz MRTSRRRUGCOMQJ-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057859 640260176 /nfs/dbraw/zinc/26/01/76/640260176.db2.gz MRTSRRRUGCOMQJ-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074733 641629300 /nfs/dbraw/zinc/62/93/00/641629300.db2.gz MQQGDODHILGNGH-GHMZBOCLSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074733 641629304 /nfs/dbraw/zinc/62/93/04/641629304.db2.gz MQQGDODHILGNGH-GHMZBOCLSA-N 2 2 281.331 2.293 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230166 649601472 /nfs/dbraw/zinc/60/14/72/649601472.db2.gz NBCIVWMFEXMMAM-IRJXADNDSA-N 2 2 287.363 2.482 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334742 346823631 /nfs/dbraw/zinc/82/36/31/346823631.db2.gz NBRPHVRFBAYZCO-OCCSQVGLSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334742 346823633 /nfs/dbraw/zinc/82/36/33/346823633.db2.gz NBRPHVRFBAYZCO-OCCSQVGLSA-N 2 2 275.352 2.169 20 5 CEBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677646 343422554 /nfs/dbraw/zinc/42/25/54/343422554.db2.gz KUKCCAXWDBXHTC-HNNXBMFYSA-N 2 2 277.368 2.211 20 5 CEBDLP CC[N@H+]1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677646 343422556 /nfs/dbraw/zinc/42/25/56/343422556.db2.gz KUKCCAXWDBXHTC-HNNXBMFYSA-N 2 2 277.368 2.211 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161313285 344463787 /nfs/dbraw/zinc/46/37/87/344463787.db2.gz USMSMEZXWKSYCI-UHFFFAOYSA-N 2 2 298.346 2.312 20 5 CEBDLP C[C@@H]1CC[N@H+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602592406 347091392 /nfs/dbraw/zinc/09/13/92/347091392.db2.gz FCEZHNITCQUTFZ-CYBMUJFWSA-N 2 2 277.368 2.069 20 5 CEBDLP C[C@@H]1CC[N@@H+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602592406 347091393 /nfs/dbraw/zinc/09/13/93/347091393.db2.gz FCEZHNITCQUTFZ-CYBMUJFWSA-N 2 2 277.368 2.069 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600678646 346671865 /nfs/dbraw/zinc/67/18/65/346671865.db2.gz NYCWBWHMUAZNDD-BYPUDFOVSA-N 2 2 287.363 2.482 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600681652 346672645 /nfs/dbraw/zinc/67/26/45/346672645.db2.gz ZVYJEIYTKVOIQH-YPMHNXCESA-N 2 2 263.341 2.133 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357125716 233010706 /nfs/dbraw/zinc/01/07/06/233010706.db2.gz WBSGLFBLFIJPKC-SZWGIHMLSA-N 2 2 287.363 2.149 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357125716 233010707 /nfs/dbraw/zinc/01/07/07/233010707.db2.gz WBSGLFBLFIJPKC-SZWGIHMLSA-N 2 2 287.363 2.149 20 5 CEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072858093 363171205 /nfs/dbraw/zinc/17/12/05/363171205.db2.gz VRAQVXYPDYMLQT-ZDUSSCGKSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072858093 363171212 /nfs/dbraw/zinc/17/12/12/363171212.db2.gz VRAQVXYPDYMLQT-ZDUSSCGKSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072858093 363171218 /nfs/dbraw/zinc/17/12/18/363171218.db2.gz VRAQVXYPDYMLQT-ZDUSSCGKSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072858093 363171222 /nfs/dbraw/zinc/17/12/22/363171222.db2.gz VRAQVXYPDYMLQT-ZDUSSCGKSA-N 2 2 277.368 2.368 20 5 CEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+](C)C ZINC000276448870 295873087 /nfs/dbraw/zinc/87/30/87/295873087.db2.gz MOHKRZVCKRQIDE-LBPRGKRZSA-N 2 2 265.357 2.067 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000271753351 191306192 /nfs/dbraw/zinc/30/61/92/191306192.db2.gz ZDBSCHHIMCBAEQ-UHFFFAOYSA-N 2 2 292.314 2.453 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000271753351 191306194 /nfs/dbraw/zinc/30/61/94/191306194.db2.gz ZDBSCHHIMCBAEQ-UHFFFAOYSA-N 2 2 292.314 2.453 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)cc1 ZINC000133777690 366254359 /nfs/dbraw/zinc/25/43/59/366254359.db2.gz VDDXFDCQRXKRPI-UHFFFAOYSA-N 2 2 286.335 2.456 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)cc1 ZINC000133777690 366254365 /nfs/dbraw/zinc/25/43/65/366254365.db2.gz VDDXFDCQRXKRPI-UHFFFAOYSA-N 2 2 286.335 2.456 20 5 CEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000133830396 366259647 /nfs/dbraw/zinc/25/96/47/366259647.db2.gz NKHHACYCKQRJKB-MBNYWOFBSA-N 2 2 293.367 2.012 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570570574 299265619 /nfs/dbraw/zinc/26/56/19/299265619.db2.gz WAEWQUQBFMBKMS-HNNXBMFYSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570570574 299265621 /nfs/dbraw/zinc/26/56/21/299265621.db2.gz WAEWQUQBFMBKMS-HNNXBMFYSA-N 2 2 275.352 2.170 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000118842305 365181536 /nfs/dbraw/zinc/18/15/36/365181536.db2.gz DQJIKLGLBIQCGO-CYBMUJFWSA-N 2 2 277.368 2.368 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000118842305 365181537 /nfs/dbraw/zinc/18/15/37/365181537.db2.gz DQJIKLGLBIQCGO-CYBMUJFWSA-N 2 2 277.368 2.368 20 5 CEBDLP C[NH+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000118842305 365181539 /nfs/dbraw/zinc/18/15/39/365181539.db2.gz DQJIKLGLBIQCGO-CYBMUJFWSA-N 2 2 277.368 2.368 20 5 CEBDLP C[NH+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842305 365181540 /nfs/dbraw/zinc/18/15/40/365181540.db2.gz DQJIKLGLBIQCGO-CYBMUJFWSA-N 2 2 277.368 2.368 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000414766168 375957930 /nfs/dbraw/zinc/95/79/30/375957930.db2.gz HARHXSRMMVPWAL-IAQYHMDHSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000414766168 375957939 /nfs/dbraw/zinc/95/79/39/375957939.db2.gz HARHXSRMMVPWAL-IAQYHMDHSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000414766166 375958027 /nfs/dbraw/zinc/95/80/27/375958027.db2.gz HARHXSRMMVPWAL-ABAIWWIYSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000414766166 375958036 /nfs/dbraw/zinc/95/80/36/375958036.db2.gz HARHXSRMMVPWAL-ABAIWWIYSA-N 2 2 277.368 2.462 20 5 CEBDLP C[NH+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287096314 376149791 /nfs/dbraw/zinc/14/97/91/376149791.db2.gz PTTGUGPUDQPTQN-CQSZACIVSA-N 2 2 277.368 2.067 20 5 CEBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000565724709 377691466 /nfs/dbraw/zinc/69/14/66/377691466.db2.gz QZJNYTKORCJFBF-UDGJJRABSA-N 2 2 275.352 2.420 20 5 CEBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000565724709 377691477 /nfs/dbraw/zinc/69/14/77/377691477.db2.gz QZJNYTKORCJFBF-UDGJJRABSA-N 2 2 275.352 2.420 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000347106427 218123384 /nfs/dbraw/zinc/12/33/84/218123384.db2.gz LULYDYFHPAAHGP-AAEUAGOBSA-N 2 2 263.341 2.072 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000347106427 218123387 /nfs/dbraw/zinc/12/33/87/218123387.db2.gz LULYDYFHPAAHGP-AAEUAGOBSA-N 2 2 263.341 2.072 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414941973 394814335 /nfs/dbraw/zinc/81/43/35/394814335.db2.gz DDEAIYLDQCWULH-YPMHNXCESA-N 2 2 293.367 2.224 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414941972 394814405 /nfs/dbraw/zinc/81/44/05/394814405.db2.gz DDEAIYLDQCWULH-WCQYABFASA-N 2 2 293.367 2.224 20 5 CEBDLP [NH3+]C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000415062690 394870783 /nfs/dbraw/zinc/87/07/83/394870783.db2.gz FTJZLQPOGAMZON-AWEZNQCLSA-N 2 2 263.341 2.202 20 5 CEBDLP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415072088 394875564 /nfs/dbraw/zinc/87/55/64/394875564.db2.gz XPFAATNRJAZTSQ-ZDUSSCGKSA-N 2 2 293.367 2.211 20 5 CEBDLP CCC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423359191 394900439 /nfs/dbraw/zinc/90/04/39/394900439.db2.gz CVOZLGBGILDBBE-GXFFZTMASA-N 2 2 251.330 2.373 20 5 CEBDLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000037266987 278335164 /nfs/dbraw/zinc/33/51/64/278335164.db2.gz XEGDIYRWPPLABT-LLVKDONJSA-N 2 2 263.341 2.340 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576122165 314245182 /nfs/dbraw/zinc/24/51/82/314245182.db2.gz YJDATZPFSGVDMA-GXFFZTMASA-N 2 2 298.346 2.452 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000576122165 314245185 /nfs/dbraw/zinc/24/51/85/314245185.db2.gz YJDATZPFSGVDMA-GXFFZTMASA-N 2 2 298.346 2.452 20 5 CEBDLP C[NH+](C)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443229 524057375 /nfs/dbraw/zinc/05/73/75/524057375.db2.gz UPEMPBAYSCPICF-UHFFFAOYSA-N 2 2 271.748 2.290 20 5 CEBDLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800176 635277232 /nfs/dbraw/zinc/27/72/32/635277232.db2.gz USRUNZWBCZVPON-HOCLYGCPSA-N 2 2 289.379 2.341 20 5 CEBDLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800176 635277235 /nfs/dbraw/zinc/27/72/35/635277235.db2.gz USRUNZWBCZVPON-HOCLYGCPSA-N 2 2 289.379 2.341 20 5 CEBDLP CCC1([NH3+])CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000903946795 635379614 /nfs/dbraw/zinc/37/96/14/635379614.db2.gz ACWIFPREPLXVAT-UHFFFAOYSA-N 2 2 293.367 2.307 20 5 CEBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841071367 639642038 /nfs/dbraw/zinc/64/20/38/639642038.db2.gz DXWMOAMVYXDYDT-SECBINFHSA-N 2 2 257.721 2.075 20 5 CEBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000841093362 639654459 /nfs/dbraw/zinc/65/44/59/639654459.db2.gz RTNANLUPKAHSEY-UHFFFAOYSA-N 2 2 283.759 2.480 20 5 CEBDLP CC1(C)CC[NH2+]CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000866698650 647873475 /nfs/dbraw/zinc/87/34/75/647873475.db2.gz AFKCKTFERKSJJJ-UHFFFAOYSA-N 2 2 293.367 2.048 20 5 CEBDLP CC1(C)CC[NH2+]CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000866698650 647873480 /nfs/dbraw/zinc/87/34/80/647873480.db2.gz AFKCKTFERKSJJJ-UHFFFAOYSA-N 2 2 293.367 2.048 20 5 CEBDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978623 811308584 /nfs/dbraw/zinc/30/85/84/811308584.db2.gz TUWLEWOKNBWMBQ-SOUVJXGZSA-N 2 2 283.416 2.142 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc([N+](=O)[O-])c1 ZINC000124423109 187136543 /nfs/dbraw/zinc/13/65/43/187136543.db2.gz DAQXQCFFKRORQJ-UHFFFAOYSA-N 2 2 280.353 2.375 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc([N+](=O)[O-])c1 ZINC000124423109 187136544 /nfs/dbraw/zinc/13/65/44/187136544.db2.gz DAQXQCFFKRORQJ-UHFFFAOYSA-N 2 2 280.353 2.375 20 5 CEBDLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235510427 344591543 /nfs/dbraw/zinc/59/15/43/344591543.db2.gz JNKRNLUXFNRJOF-WCQYABFASA-N 2 2 263.341 2.388 20 5 CEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281901 345237605 /nfs/dbraw/zinc/23/76/05/345237605.db2.gz UDXZZHDLQRDLED-XBFCOCLRSA-N 2 2 295.358 2.206 20 5 CEBDLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577298 345266209 /nfs/dbraw/zinc/26/62/09/345266209.db2.gz NKBQLLOTEANDPR-AWEZNQCLSA-N 2 2 263.341 2.388 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680431 346399207 /nfs/dbraw/zinc/39/92/07/346399207.db2.gz BQLZEUPGIVIGGS-ZLDLUXBVSA-N 2 2 275.352 2.469 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680431 346399211 /nfs/dbraw/zinc/39/92/11/346399211.db2.gz BQLZEUPGIVIGGS-ZLDLUXBVSA-N 2 2 275.352 2.469 20 5 CEBDLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600710061 346675136 /nfs/dbraw/zinc/67/51/36/346675136.db2.gz NSVDVRMSKGNLCU-NTZNESFSSA-N 2 2 263.341 2.386 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721700 180032249 /nfs/dbraw/zinc/03/22/49/180032249.db2.gz SQWVXWYDNQTYST-DGCLKSJQSA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090721700 180032251 /nfs/dbraw/zinc/03/22/51/180032251.db2.gz SQWVXWYDNQTYST-DGCLKSJQSA-N 2 2 263.341 2.167 20 5 CEBDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720434 180029995 /nfs/dbraw/zinc/02/99/95/180029995.db2.gz IFNKUFBWOBHDHD-YPMHNXCESA-N 2 2 293.367 2.176 20 5 CEBDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720434 180029996 /nfs/dbraw/zinc/02/99/96/180029996.db2.gz IFNKUFBWOBHDHD-YPMHNXCESA-N 2 2 293.367 2.176 20 5 CEBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414922217 236557076 /nfs/dbraw/zinc/55/70/76/236557076.db2.gz CMHLJSHUCNNXMO-SNVBAGLBSA-N 2 2 275.308 2.292 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009150 370869122 /nfs/dbraw/zinc/86/91/22/370869122.db2.gz CCCMGOBMTSEDBQ-UHIISALHSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009150 370869125 /nfs/dbraw/zinc/86/91/25/370869125.db2.gz CCCMGOBMTSEDBQ-UHIISALHSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902986 369942401 /nfs/dbraw/zinc/94/24/01/369942401.db2.gz ODCVLABKDNKFCQ-LRDDRELGSA-N 2 2 289.379 2.210 20 5 CEBDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902986 369942405 /nfs/dbraw/zinc/94/24/05/369942405.db2.gz ODCVLABKDNKFCQ-LRDDRELGSA-N 2 2 289.379 2.210 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261726043 371712314 /nfs/dbraw/zinc/71/23/14/371712314.db2.gz KSOBUJSIVDNABA-MBNYWOFBSA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261726043 371712321 /nfs/dbraw/zinc/71/23/21/371712321.db2.gz KSOBUJSIVDNABA-MBNYWOFBSA-N 2 2 275.352 2.340 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423269703 377189902 /nfs/dbraw/zinc/18/99/02/377189902.db2.gz FTNILFLBFWISRW-ZWNOBZJWSA-N 2 2 263.341 2.291 20 5 CEBDLP CCC[C@H]([NH2+][C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423318184 377247854 /nfs/dbraw/zinc/24/78/54/377247854.db2.gz CVOZLGBGILDBBE-MFKMUULPSA-N 2 2 251.330 2.373 20 5 CEBDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254947 219004328 /nfs/dbraw/zinc/00/43/28/219004328.db2.gz RXCOUAHOQSXIAJ-GWCFXTLKSA-N 2 2 297.786 2.330 20 5 CEBDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254947 219004331 /nfs/dbraw/zinc/00/43/31/219004331.db2.gz RXCOUAHOQSXIAJ-GWCFXTLKSA-N 2 2 297.786 2.330 20 5 CEBDLP CC[NH2+][C@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414938783 394813163 /nfs/dbraw/zinc/81/31/63/394813163.db2.gz DMTANYMOWDXLNV-WAFBPQNNSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414945721 394816952 /nfs/dbraw/zinc/81/69/52/394816952.db2.gz RYXBRMWVYAULTD-NOZJJQNGSA-N 2 2 283.759 2.336 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415066047 394871884 /nfs/dbraw/zinc/87/18/84/394871884.db2.gz INBLNIHRACVACA-BRLPQQTGSA-N 2 2 275.352 2.340 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291791027 395160670 /nfs/dbraw/zinc/16/06/70/395160670.db2.gz WGKUEGLGVZPCPW-GFCCVEGCSA-N 2 2 295.383 2.281 20 5 CEBDLP Cc1c(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420371775 395358888 /nfs/dbraw/zinc/35/88/88/395358888.db2.gz PRDOZRSADNQHGF-JVLSTEMRSA-N 2 2 277.368 2.379 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346662411 154294216 /nfs/dbraw/zinc/29/42/16/154294216.db2.gz BVWPLVLAMOZFOD-NEPJUHHUSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346662411 154294221 /nfs/dbraw/zinc/29/42/21/154294221.db2.gz BVWPLVLAMOZFOD-NEPJUHHUSA-N 2 2 293.367 2.163 20 5 CEBDLP C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000252102368 287355374 /nfs/dbraw/zinc/35/53/74/287355374.db2.gz GLQDDCVWNXVQIC-RISCZKNCSA-N 2 2 263.341 2.154 20 5 CEBDLP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000252102368 287355376 /nfs/dbraw/zinc/35/53/76/287355376.db2.gz GLQDDCVWNXVQIC-RISCZKNCSA-N 2 2 263.341 2.154 20 5 CEBDLP C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000430550697 271388927 /nfs/dbraw/zinc/38/89/27/271388927.db2.gz ZLYYDOVGIHNJHJ-DOMZBBRYSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000430550697 271388929 /nfs/dbraw/zinc/38/89/29/271388929.db2.gz ZLYYDOVGIHNJHJ-DOMZBBRYSA-N 2 2 293.367 2.033 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423437569 281041748 /nfs/dbraw/zinc/04/17/48/281041748.db2.gz GGDUSTDKXYQUTG-MXWKQRLJSA-N 2 2 281.356 2.380 20 5 CEBDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423513494 281058695 /nfs/dbraw/zinc/05/86/95/281058695.db2.gz LUDWQNVBJAKXSD-CABCVRRESA-N 2 2 293.367 2.014 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000122272621 289051459 /nfs/dbraw/zinc/05/14/59/289051459.db2.gz ZAXXZKSBQOOHOJ-DGCLKSJQSA-N 2 2 275.352 2.310 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000122272621 289051461 /nfs/dbraw/zinc/05/14/61/289051461.db2.gz ZAXXZKSBQOOHOJ-DGCLKSJQSA-N 2 2 275.352 2.310 20 5 CEBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444848 527218089 /nfs/dbraw/zinc/21/80/89/527218089.db2.gz OONCFIDPJBVATM-VIFPVBQESA-N 2 2 269.732 2.029 20 5 CEBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444848 527218092 /nfs/dbraw/zinc/21/80/92/527218092.db2.gz OONCFIDPJBVATM-VIFPVBQESA-N 2 2 269.732 2.029 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@]1(C)CCC[NH2+]C1 ZINC000904308514 635558692 /nfs/dbraw/zinc/55/86/92/635558692.db2.gz QZUWRILWEBFLKK-OAHLLOKOSA-N 2 2 277.368 2.416 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@]1(C)CCC[NH2+]C1 ZINC000904308514 635558698 /nfs/dbraw/zinc/55/86/98/635558698.db2.gz QZUWRILWEBFLKK-OAHLLOKOSA-N 2 2 277.368 2.416 20 5 CEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057857 640260201 /nfs/dbraw/zinc/26/02/01/640260201.db2.gz MRTSRRRUGCOMQJ-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057857 640260203 /nfs/dbraw/zinc/26/02/03/640260203.db2.gz MRTSRRRUGCOMQJ-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883442431 652471715 /nfs/dbraw/zinc/47/17/15/652471715.db2.gz LCNQDQUCKKYGTH-NEPJUHHUSA-N 2 2 283.759 2.464 20 5 CEBDLP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170295248 812375820 /nfs/dbraw/zinc/37/58/20/812375820.db2.gz BWBJYTCFZFGPPW-VXGBXAGGSA-N 2 2 295.383 2.074 20 5 CEBDLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897643 815540035 /nfs/dbraw/zinc/54/00/35/815540035.db2.gz BWCYRJHQEPAAMR-DOMZBBRYSA-N 2 2 291.395 2.382 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C[NH+](C)C ZINC001173213687 815637373 /nfs/dbraw/zinc/63/73/73/815637373.db2.gz JUKWPAAKHAXXPD-VXGBXAGGSA-N 2 2 265.357 2.066 20 5 CEBDLP C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000124741714 365658908 /nfs/dbraw/zinc/65/89/08/365658908.db2.gz UFNMKDKFYAPILQ-NSHDSACASA-N 2 2 251.330 2.197 20 5 CEBDLP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000124741714 365658911 /nfs/dbraw/zinc/65/89/11/365658911.db2.gz UFNMKDKFYAPILQ-NSHDSACASA-N 2 2 251.330 2.197 20 5 CEBDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015582 362390266 /nfs/dbraw/zinc/39/02/66/362390266.db2.gz CUHXWXGFEJIYKH-DYEKYZERSA-N 2 2 277.368 2.413 20 5 CEBDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015582 362390269 /nfs/dbraw/zinc/39/02/69/362390269.db2.gz CUHXWXGFEJIYKH-DYEKYZERSA-N 2 2 277.368 2.413 20 5 CEBDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602532147 347068911 /nfs/dbraw/zinc/06/89/11/347068911.db2.gz IPEAZOXEVPBHHI-SNVBAGLBSA-N 2 2 292.339 2.166 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000595039639 345733111 /nfs/dbraw/zinc/73/31/11/345733111.db2.gz UPDZHLAOHRUHAL-RYUDHWBXSA-N 2 2 295.383 2.452 20 5 CEBDLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598719191 346407323 /nfs/dbraw/zinc/40/73/23/346407323.db2.gz LWDKAGRQGUKSHS-ZFWWWQNUSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598719191 346407326 /nfs/dbraw/zinc/40/73/26/346407326.db2.gz LWDKAGRQGUKSHS-ZFWWWQNUSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000600747825 346683779 /nfs/dbraw/zinc/68/37/79/346683779.db2.gz LRCPTPUKDXKJSA-IYBDPMFKSA-N 2 2 289.379 2.335 20 5 CEBDLP Cc1c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000600747825 346683781 /nfs/dbraw/zinc/68/37/81/346683781.db2.gz LRCPTPUKDXKJSA-IYBDPMFKSA-N 2 2 289.379 2.335 20 5 CEBDLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000348287299 368985327 /nfs/dbraw/zinc/98/53/27/368985327.db2.gz HNWZIUXVOLPNFC-QWHCGFSZSA-N 2 2 279.384 2.456 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000252666931 371465249 /nfs/dbraw/zinc/46/52/49/371465249.db2.gz CZCVJKWBGVOHSG-NEPJUHHUSA-N 2 2 281.381 2.373 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000252666931 371465250 /nfs/dbraw/zinc/46/52/50/371465250.db2.gz CZCVJKWBGVOHSG-NEPJUHHUSA-N 2 2 281.381 2.373 20 5 CEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+](C)C ZINC000286954684 376112827 /nfs/dbraw/zinc/11/28/27/376112827.db2.gz HNWZIUXVOLPNFC-STQMWFEESA-N 2 2 279.384 2.456 20 5 CEBDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873955 377460542 /nfs/dbraw/zinc/46/05/42/377460542.db2.gz MCGAOYCOIRLPFX-WCQYABFASA-N 2 2 286.335 2.457 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000347106437 218123279 /nfs/dbraw/zinc/12/32/79/218123279.db2.gz LULYDYFHPAAHGP-YPMHNXCESA-N 2 2 263.341 2.072 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000347106437 218123282 /nfs/dbraw/zinc/12/32/82/218123282.db2.gz LULYDYFHPAAHGP-YPMHNXCESA-N 2 2 263.341 2.072 20 5 CEBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267169004 190308442 /nfs/dbraw/zinc/30/84/42/190308442.db2.gz HQOJVNHSDAKVDG-UHFFFAOYSA-N 2 2 292.383 2.033 20 5 CEBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414986769 394837599 /nfs/dbraw/zinc/83/75/99/394837599.db2.gz YEUHALUUKBFHRE-SECBINFHSA-N 2 2 257.721 2.075 20 5 CEBDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423399205 394914718 /nfs/dbraw/zinc/91/47/18/394914718.db2.gz WDJWQNMRYYKBHK-NWDGAFQWSA-N 2 2 265.357 2.113 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010907 629435405 /nfs/dbraw/zinc/43/54/05/629435405.db2.gz VACGMOFITJASQI-ONGXEEELSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010907 629435410 /nfs/dbraw/zinc/43/54/10/629435410.db2.gz VACGMOFITJASQI-ONGXEEELSA-N 2 2 283.759 2.417 20 5 CEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001168993597 811324498 /nfs/dbraw/zinc/32/44/98/811324498.db2.gz NOACODFHBRXGKE-HZSPNIEDSA-N 2 2 281.400 2.038 20 5 CEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001168993597 811324508 /nfs/dbraw/zinc/32/45/08/811324508.db2.gz NOACODFHBRXGKE-HZSPNIEDSA-N 2 2 281.400 2.038 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000601325028 346821424 /nfs/dbraw/zinc/82/14/24/346821424.db2.gz XLTRUMQYOGRMTB-ZDUSSCGKSA-N 2 2 263.341 2.298 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000601325028 346821427 /nfs/dbraw/zinc/82/14/27/346821427.db2.gz XLTRUMQYOGRMTB-ZDUSSCGKSA-N 2 2 263.341 2.298 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(F)c1 ZINC000601334457 346823697 /nfs/dbraw/zinc/82/36/97/346823697.db2.gz KUDNFLKUNQBCDN-ABAIWWIYSA-N 2 2 293.342 2.308 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(F)c1 ZINC000601334457 346823698 /nfs/dbraw/zinc/82/36/98/346823698.db2.gz KUDNFLKUNQBCDN-ABAIWWIYSA-N 2 2 293.342 2.308 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+]CCCn2cc[nH+]c2)cs1 ZINC000037562689 361903238 /nfs/dbraw/zinc/90/32/38/361903238.db2.gz UUUSBQVPPAMOLZ-UHFFFAOYSA-N 2 2 266.326 2.033 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601974899 346947912 /nfs/dbraw/zinc/94/79/12/346947912.db2.gz XCSHXBGMRAOBGV-HIFRSBDPSA-N 2 2 275.352 2.135 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CCC2 ZINC000591579987 345266816 /nfs/dbraw/zinc/26/68/16/345266816.db2.gz DGKQLHSNRLUVEZ-SLEUVZQESA-N 2 2 293.342 2.262 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000596654535 346072799 /nfs/dbraw/zinc/07/27/99/346072799.db2.gz PYZFJRFKPFXAIE-GHMZBOCLSA-N 2 2 281.356 2.252 20 5 CEBDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000596654006 346072865 /nfs/dbraw/zinc/07/28/65/346072865.db2.gz NJMRREUFFALWLC-GXSJLCMTSA-N 2 2 251.330 2.162 20 5 CEBDLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596655722 346073558 /nfs/dbraw/zinc/07/35/58/346073558.db2.gz XSOCIKHYEOKCBY-GXFFZTMASA-N 2 2 251.330 2.243 20 5 CEBDLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598718653 346406985 /nfs/dbraw/zinc/40/69/85/346406985.db2.gz LWDKAGRQGUKSHS-DZGCQCFKSA-N 2 2 275.352 2.216 20 5 CEBDLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598718653 346406989 /nfs/dbraw/zinc/40/69/89/346406989.db2.gz LWDKAGRQGUKSHS-DZGCQCFKSA-N 2 2 275.352 2.216 20 5 CEBDLP C[NH+](C)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599013334 346446342 /nfs/dbraw/zinc/44/63/42/346446342.db2.gz IBYPGGONSZRNSF-UHFFFAOYSA-N 2 2 260.297 2.117 20 5 CEBDLP Cc1c([C@@H](C)[NH2+]CCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000155690733 188221307 /nfs/dbraw/zinc/22/13/07/188221307.db2.gz FCSRQGDHJDXDEW-GFCCVEGCSA-N 2 2 274.324 2.451 20 5 CEBDLP Cc1c(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000160165044 366977780 /nfs/dbraw/zinc/97/77/80/366977780.db2.gz JCDHOTGHBFMVNX-CQSZACIVSA-N 2 2 263.341 2.072 20 5 CEBDLP Cc1c(C[N@H+](C)[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000160165044 366977783 /nfs/dbraw/zinc/97/77/83/366977783.db2.gz JCDHOTGHBFMVNX-CQSZACIVSA-N 2 2 263.341 2.072 20 5 CEBDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206402 370950822 /nfs/dbraw/zinc/95/08/22/370950822.db2.gz SNAOZGIMVTTWSQ-CJNGLKHVSA-N 2 2 291.395 2.457 20 5 CEBDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206402 370950825 /nfs/dbraw/zinc/95/08/25/370950825.db2.gz SNAOZGIMVTTWSQ-CJNGLKHVSA-N 2 2 291.395 2.457 20 5 CEBDLP Cc1c(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000227197635 370363522 /nfs/dbraw/zinc/36/35/22/370363522.db2.gz NLKMYQRMCPCUBS-IAQYHMDHSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1c(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000227197635 370363529 /nfs/dbraw/zinc/36/35/29/370363529.db2.gz NLKMYQRMCPCUBS-IAQYHMDHSA-N 2 2 277.368 2.462 20 5 CEBDLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423200264 377116400 /nfs/dbraw/zinc/11/64/00/377116400.db2.gz FEVQSHTWAALCCF-GXTWGEPZSA-N 2 2 263.341 2.388 20 5 CEBDLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423242945 377161742 /nfs/dbraw/zinc/16/17/42/377161742.db2.gz JSDWELKXYYOVFH-NSHDSACASA-N 2 2 251.330 2.163 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292807134 377292466 /nfs/dbraw/zinc/29/24/66/377292466.db2.gz OGYRKAKJYBZMTG-MRXNPFEDSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292807134 377292474 /nfs/dbraw/zinc/29/24/74/377292474.db2.gz OGYRKAKJYBZMTG-MRXNPFEDSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292807134 377292481 /nfs/dbraw/zinc/29/24/81/377292481.db2.gz OGYRKAKJYBZMTG-MRXNPFEDSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292807134 377292487 /nfs/dbraw/zinc/29/24/87/377292487.db2.gz OGYRKAKJYBZMTG-MRXNPFEDSA-N 2 2 289.379 2.431 20 5 CEBDLP C[NH+](C)CC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000308636642 394529587 /nfs/dbraw/zinc/52/95/87/394529587.db2.gz MZPBXKAWTAZNAL-UHFFFAOYSA-N 2 2 265.357 2.067 20 5 CEBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000415056648 394867004 /nfs/dbraw/zinc/86/70/04/394867004.db2.gz QBFLYESDDUYRHX-SECBINFHSA-N 2 2 257.359 2.119 20 5 CEBDLP C[C@@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423409728 394916593 /nfs/dbraw/zinc/91/65/93/394916593.db2.gz ZBXFQTCTVVCKFS-TVQRCGJNSA-N 2 2 263.341 2.254 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494408951 395111617 /nfs/dbraw/zinc/11/16/17/395111617.db2.gz FOQWPFOKYHEDCQ-LYKUJDHUSA-N 2 2 298.346 2.409 20 5 CEBDLP Cc1c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000420367451 395354300 /nfs/dbraw/zinc/35/43/00/395354300.db2.gz SDDIXDHBJMYZCN-ZDUSSCGKSA-N 2 2 265.357 2.366 20 5 CEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366952681 156108041 /nfs/dbraw/zinc/10/80/41/156108041.db2.gz AXQFBDPAHOTYEJ-CYBMUJFWSA-N 2 2 286.335 2.318 20 5 CEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366952681 156108042 /nfs/dbraw/zinc/10/80/42/156108042.db2.gz AXQFBDPAHOTYEJ-CYBMUJFWSA-N 2 2 286.335 2.318 20 5 CEBDLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672681 174370614 /nfs/dbraw/zinc/37/06/14/174370614.db2.gz QEABEDVAOVTKEP-AAEUAGOBSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672681 174370615 /nfs/dbraw/zinc/37/06/15/174370615.db2.gz QEABEDVAOVTKEP-AAEUAGOBSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000430550703 271388982 /nfs/dbraw/zinc/38/89/82/271388982.db2.gz ZLYYDOVGIHNJHJ-WFASDCNBSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000430550703 271388985 /nfs/dbraw/zinc/38/89/85/271388985.db2.gz ZLYYDOVGIHNJHJ-WFASDCNBSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191406 278227487 /nfs/dbraw/zinc/22/74/87/278227487.db2.gz UZWYTUKFQFXPGE-FZMZJTMJSA-N 2 2 263.341 2.297 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191406 278227490 /nfs/dbraw/zinc/22/74/90/278227490.db2.gz UZWYTUKFQFXPGE-FZMZJTMJSA-N 2 2 263.341 2.297 20 5 CEBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000070148841 295239729 /nfs/dbraw/zinc/23/97/29/295239729.db2.gz ZYRFWNRMHFNBJU-LLVKDONJSA-N 2 2 269.370 2.360 20 5 CEBDLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000070148841 295239731 /nfs/dbraw/zinc/23/97/31/295239731.db2.gz ZYRFWNRMHFNBJU-LLVKDONJSA-N 2 2 269.370 2.360 20 5 CEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000261568322 623380141 /nfs/dbraw/zinc/38/01/41/623380141.db2.gz JZCXYXDVANZGIW-ZDUSSCGKSA-N 2 2 263.341 2.073 20 5 CEBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841029492 631811394 /nfs/dbraw/zinc/81/13/94/631811394.db2.gz HUSZFPQDKNNZSX-NSHDSACASA-N 2 2 271.748 2.321 20 5 CEBDLP Cc1c(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739651 650882341 /nfs/dbraw/zinc/88/23/41/650882341.db2.gz PKWBIRBJBDJJRI-HOCLYGCPSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739651 650882345 /nfs/dbraw/zinc/88/23/45/650882345.db2.gz PKWBIRBJBDJJRI-HOCLYGCPSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739651 650882355 /nfs/dbraw/zinc/88/23/55/650882355.db2.gz PKWBIRBJBDJJRI-HOCLYGCPSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739651 650882359 /nfs/dbraw/zinc/88/23/59/650882359.db2.gz PKWBIRBJBDJJRI-HOCLYGCPSA-N 2 2 289.379 2.429 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000449103140 282100966 /nfs/dbraw/zinc/10/09/66/282100966.db2.gz OTWPRVJYBMPAMC-OCCSQVGLSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000449103140 282100967 /nfs/dbraw/zinc/10/09/67/282100967.db2.gz OTWPRVJYBMPAMC-OCCSQVGLSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000449103139 282101030 /nfs/dbraw/zinc/10/10/30/282101030.db2.gz OTWPRVJYBMPAMC-JSGCOSHPSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000449103139 282101032 /nfs/dbraw/zinc/10/10/32/282101032.db2.gz OTWPRVJYBMPAMC-JSGCOSHPSA-N 2 2 277.368 2.210 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+]CCC[NH+]2CCCC2)cs1 ZINC000037562594 361903195 /nfs/dbraw/zinc/90/31/95/361903195.db2.gz NHFRRUNSIZEZRT-UHFFFAOYSA-N 2 2 269.370 2.232 20 5 CEBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563127 361904797 /nfs/dbraw/zinc/90/47/97/361904797.db2.gz YYNZEKNPURKKHL-SECBINFHSA-N 2 2 266.326 2.031 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275625 345236925 /nfs/dbraw/zinc/23/69/25/345236925.db2.gz LGXGRHIAOSHVPB-HZRUHFOJSA-N 2 2 275.352 2.340 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471215 345358534 /nfs/dbraw/zinc/35/85/34/345358534.db2.gz LTEIFFZDIQENFZ-UHFFFAOYSA-N 2 2 275.352 2.311 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471215 345358538 /nfs/dbraw/zinc/35/85/38/345358538.db2.gz LTEIFFZDIQENFZ-UHFFFAOYSA-N 2 2 275.352 2.311 20 5 CEBDLP C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593733298 345529319 /nfs/dbraw/zinc/52/93/19/345529319.db2.gz LENPBAYCYYOGAB-BXUZGUMPSA-N 2 2 293.367 2.250 20 5 CEBDLP C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593733298 345529320 /nfs/dbraw/zinc/52/93/20/345529320.db2.gz LENPBAYCYYOGAB-BXUZGUMPSA-N 2 2 293.367 2.250 20 5 CEBDLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596655723 346073551 /nfs/dbraw/zinc/07/35/51/346073551.db2.gz XSOCIKHYEOKCBY-MFKMUULPSA-N 2 2 251.330 2.243 20 5 CEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1C[NH+](C)C1 ZINC000597207942 346148907 /nfs/dbraw/zinc/14/89/07/346148907.db2.gz XLSLDWUFKOMEQV-NTUHNPAUSA-N 2 2 289.379 2.492 20 5 CEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000597207942 346148910 /nfs/dbraw/zinc/14/89/10/346148910.db2.gz XLSLDWUFKOMEQV-NTUHNPAUSA-N 2 2 289.379 2.492 20 5 CEBDLP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000601171121 346776217 /nfs/dbraw/zinc/77/62/17/346776217.db2.gz ITXRSVMDAGYPSV-BZNIZROVSA-N 2 2 298.346 2.283 20 5 CEBDLP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000601171121 346776218 /nfs/dbraw/zinc/77/62/18/346776218.db2.gz ITXRSVMDAGYPSV-BZNIZROVSA-N 2 2 298.346 2.283 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000582725135 366950358 /nfs/dbraw/zinc/95/03/58/366950358.db2.gz GFSMIMDMIVRRDX-INIZCTEOSA-N 2 2 289.379 2.479 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000582725135 366950361 /nfs/dbraw/zinc/95/03/61/366950361.db2.gz GFSMIMDMIVRRDX-INIZCTEOSA-N 2 2 289.379 2.479 20 5 CEBDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206404 370951045 /nfs/dbraw/zinc/95/10/45/370951045.db2.gz SNAOZGIMVTTWSQ-XJKSGUPXSA-N 2 2 291.395 2.457 20 5 CEBDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206404 370951049 /nfs/dbraw/zinc/95/10/49/370951049.db2.gz SNAOZGIMVTTWSQ-XJKSGUPXSA-N 2 2 291.395 2.457 20 5 CEBDLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017022 376931299 /nfs/dbraw/zinc/93/12/99/376931299.db2.gz NUJQJKYBSOASLB-GVXVVHGQSA-N 2 2 263.341 2.386 20 5 CEBDLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267935 377187674 /nfs/dbraw/zinc/18/76/74/377187674.db2.gz UFJGDFSZPGDNLM-GXFFZTMASA-N 2 2 251.330 2.229 20 5 CEBDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873956 377461761 /nfs/dbraw/zinc/46/17/61/377461761.db2.gz MCGAOYCOIRLPFX-YPMHNXCESA-N 2 2 286.335 2.457 20 5 CEBDLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000565219382 377613172 /nfs/dbraw/zinc/61/31/72/377613172.db2.gz UHIIDIQJLOFRIU-CQSZACIVSA-N 2 2 286.335 2.148 20 5 CEBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562321 379393617 /nfs/dbraw/zinc/39/36/17/379393617.db2.gz GEJKZWTXOANWHT-BXUZGUMPSA-N 2 2 275.352 2.266 20 5 CEBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562321 379393626 /nfs/dbraw/zinc/39/36/26/379393626.db2.gz GEJKZWTXOANWHT-BXUZGUMPSA-N 2 2 275.352 2.266 20 5 CEBDLP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415072086 394875702 /nfs/dbraw/zinc/87/57/02/394875702.db2.gz XPFAATNRJAZTSQ-CYBMUJFWSA-N 2 2 293.367 2.211 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000494406223 395111696 /nfs/dbraw/zinc/11/16/96/395111696.db2.gz PJMJIYGXYAKTCQ-CYBMUJFWSA-N 2 2 286.335 2.204 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420366488 395354106 /nfs/dbraw/zinc/35/41/06/395354106.db2.gz RFFZYQQIDCGPNI-CQSZACIVSA-N 2 2 293.367 2.081 20 5 CEBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000420361732 395347967 /nfs/dbraw/zinc/34/79/67/395347967.db2.gz IIGSCKVSMSAJDA-SUNKGSAMSA-N 2 2 263.341 2.071 20 5 CEBDLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284301460 196024739 /nfs/dbraw/zinc/02/47/39/196024739.db2.gz YSSUQHHEWNMWQK-NSHDSACASA-N 2 2 289.339 2.114 20 5 CEBDLP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747177 174392499 /nfs/dbraw/zinc/39/24/99/174392499.db2.gz KXYAHQMAUKSNEU-PBWFPOADSA-N 2 2 293.342 2.449 20 5 CEBDLP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747177 174392500 /nfs/dbraw/zinc/39/25/00/174392500.db2.gz KXYAHQMAUKSNEU-PBWFPOADSA-N 2 2 293.342 2.449 20 5 CEBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160342 276187335 /nfs/dbraw/zinc/18/73/35/276187335.db2.gz PTBHJBJFRQVCDF-AAEUAGOBSA-N 2 2 292.383 2.312 20 5 CEBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160342 276187337 /nfs/dbraw/zinc/18/73/37/276187337.db2.gz PTBHJBJFRQVCDF-AAEUAGOBSA-N 2 2 292.383 2.312 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196049 278317246 /nfs/dbraw/zinc/31/72/46/278317246.db2.gz RNBKJXCZQJFALA-IUODEOHRSA-N 2 2 277.368 2.339 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196049 278317249 /nfs/dbraw/zinc/31/72/49/278317249.db2.gz RNBKJXCZQJFALA-IUODEOHRSA-N 2 2 277.368 2.339 20 5 CEBDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423438450 281042424 /nfs/dbraw/zinc/04/24/24/281042424.db2.gz UVQIMNQNGMDBLE-SWLSCSKDSA-N 2 2 293.367 2.014 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000581022035 322363359 /nfs/dbraw/zinc/36/33/59/322363359.db2.gz JESATXLGAFOQST-AWEZNQCLSA-N 2 2 286.335 2.459 20 5 CEBDLP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000902404916 634639801 /nfs/dbraw/zinc/63/98/01/634639801.db2.gz HAOXBURKYCQARC-CYBMUJFWSA-N 2 2 261.325 2.053 20 5 CEBDLP COc1cc([C@@H](C)[NH2+]CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903055414 634948536 /nfs/dbraw/zinc/94/85/36/634948536.db2.gz FJEOPMYUTKTKFO-LLVKDONJSA-N 2 2 281.356 2.206 20 5 CEBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843355736 640401503 /nfs/dbraw/zinc/40/15/03/640401503.db2.gz IPWSRQFNEDSKNW-CYBMUJFWSA-N 2 2 269.320 2.197 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074734 641629330 /nfs/dbraw/zinc/62/93/30/641629330.db2.gz MQQGDODHILGNGH-QWRGUYRKSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074734 641629332 /nfs/dbraw/zinc/62/93/32/641629332.db2.gz MQQGDODHILGNGH-QWRGUYRKSA-N 2 2 281.331 2.293 20 5 CEBDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877741237 650884575 /nfs/dbraw/zinc/88/45/75/650884575.db2.gz ACWQKXYWGYKCLR-HIFRSBDPSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877741237 650884578 /nfs/dbraw/zinc/88/45/78/650884578.db2.gz ACWQKXYWGYKCLR-HIFRSBDPSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877741237 650884581 /nfs/dbraw/zinc/88/45/81/650884581.db2.gz ACWQKXYWGYKCLR-HIFRSBDPSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877741237 650884584 /nfs/dbraw/zinc/88/45/84/650884584.db2.gz ACWQKXYWGYKCLR-HIFRSBDPSA-N 2 2 275.352 2.121 20 5 CEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001168993596 811326012 /nfs/dbraw/zinc/32/60/12/811326012.db2.gz NOACODFHBRXGKE-BFHYXJOUSA-N 2 2 281.400 2.038 20 5 CEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001168993596 811326022 /nfs/dbraw/zinc/32/60/22/811326022.db2.gz NOACODFHBRXGKE-BFHYXJOUSA-N 2 2 281.400 2.038 20 5 CEBDLP C[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179631958 282121421 /nfs/dbraw/zinc/12/14/21/282121421.db2.gz ZMXGCZLHAXPUHH-DYLGSBMWSA-N 2 2 289.379 2.492 20 5 CEBDLP C[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179631958 282121422 /nfs/dbraw/zinc/12/14/22/282121422.db2.gz ZMXGCZLHAXPUHH-DYLGSBMWSA-N 2 2 289.379 2.492 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125485771 187187331 /nfs/dbraw/zinc/18/73/31/187187331.db2.gz OFWWTEUBXXJTDX-AWEZNQCLSA-N 2 2 277.368 2.287 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125485771 187187330 /nfs/dbraw/zinc/18/73/30/187187330.db2.gz OFWWTEUBXXJTDX-AWEZNQCLSA-N 2 2 277.368 2.287 20 5 CEBDLP C[N@@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237085885 344599254 /nfs/dbraw/zinc/59/92/54/344599254.db2.gz KUYNNJGMNOGTPV-GBXSZLQWSA-N 2 2 275.352 2.292 20 5 CEBDLP C[N@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237085885 344599256 /nfs/dbraw/zinc/59/92/56/344599256.db2.gz KUYNNJGMNOGTPV-GBXSZLQWSA-N 2 2 275.352 2.292 20 5 CEBDLP C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600677181 346672090 /nfs/dbraw/zinc/67/20/90/346672090.db2.gz AZRAJBZLNBJZNA-HRLNJXSSSA-N 2 2 275.352 2.338 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600679433 346672472 /nfs/dbraw/zinc/67/24/72/346672472.db2.gz KEYPNWLBJSJDNH-YPMHNXCESA-N 2 2 263.341 2.133 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000273450053 192155502 /nfs/dbraw/zinc/15/55/02/192155502.db2.gz YOPJDPWLHPNLQY-CZUORRHYSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000273450053 192155505 /nfs/dbraw/zinc/15/55/05/192155505.db2.gz YOPJDPWLHPNLQY-CZUORRHYSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000273450053 192155507 /nfs/dbraw/zinc/15/55/07/192155507.db2.gz YOPJDPWLHPNLQY-CZUORRHYSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000273450053 192155510 /nfs/dbraw/zinc/15/55/10/192155510.db2.gz YOPJDPWLHPNLQY-CZUORRHYSA-N 2 2 289.379 2.429 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720465 180030531 /nfs/dbraw/zinc/03/05/31/180030531.db2.gz XUFGGAHQBXCYFY-MWLCHTKSSA-N 2 2 269.370 2.229 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000090720465 180030534 /nfs/dbraw/zinc/03/05/34/180030534.db2.gz XUFGGAHQBXCYFY-MWLCHTKSSA-N 2 2 269.370 2.229 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070074601 363027181 /nfs/dbraw/zinc/02/71/81/363027181.db2.gz MZMHJHAGFUJQLE-VXGBXAGGSA-N 2 2 293.367 2.163 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070074601 363027185 /nfs/dbraw/zinc/02/71/85/363027185.db2.gz MZMHJHAGFUJQLE-VXGBXAGGSA-N 2 2 293.367 2.163 20 5 CEBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743050 299216416 /nfs/dbraw/zinc/21/64/16/299216416.db2.gz FNJKJTHCRVLLFE-BXUZGUMPSA-N 2 2 286.335 2.457 20 5 CEBDLP C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000089647584 363987673 /nfs/dbraw/zinc/98/76/73/363987673.db2.gz ICHRJYNDRCEIAY-UHFFFAOYSA-N 2 2 283.759 2.432 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[N@H+]1CC=CCC1 ZINC000355527598 370587477 /nfs/dbraw/zinc/58/74/77/370587477.db2.gz GHLANAULZQTBPV-SOFGYWHQSA-N 2 2 287.363 2.460 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[N@@H+]1CC=CCC1 ZINC000355527598 370587482 /nfs/dbraw/zinc/58/74/82/370587482.db2.gz GHLANAULZQTBPV-SOFGYWHQSA-N 2 2 287.363 2.460 20 5 CEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252960584 371491574 /nfs/dbraw/zinc/49/15/74/371491574.db2.gz NKHHACYCKQRJKB-BZPMIXESSA-N 2 2 293.367 2.012 20 5 CEBDLP CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000422950621 376874697 /nfs/dbraw/zinc/87/46/97/376874697.db2.gz YOYIWWZKUUHNCM-OLZOCXBDSA-N 2 2 293.367 2.224 20 5 CEBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C1 ZINC000423200201 377115802 /nfs/dbraw/zinc/11/58/02/377115802.db2.gz DUKFMZRABDBGPJ-RYUDHWBXSA-N 2 2 295.408 2.417 20 5 CEBDLP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423186558 377098617 /nfs/dbraw/zinc/09/86/17/377098617.db2.gz KJHNZTPXWYTQCT-VXGBXAGGSA-N 2 2 263.341 2.306 20 5 CEBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000565724703 377691079 /nfs/dbraw/zinc/69/10/79/377691079.db2.gz QZJNYTKORCJFBF-FAQJLRJSSA-N 2 2 275.352 2.420 20 5 CEBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000565724703 377691086 /nfs/dbraw/zinc/69/10/86/377691086.db2.gz QZJNYTKORCJFBF-FAQJLRJSSA-N 2 2 275.352 2.420 20 5 CEBDLP CC[N@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000289485641 197370753 /nfs/dbraw/zinc/37/07/53/197370753.db2.gz QZJQBANDWREYPT-UHFFFAOYSA-N 2 2 265.357 2.368 20 5 CEBDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000289485641 197370755 /nfs/dbraw/zinc/37/07/55/197370755.db2.gz QZJQBANDWREYPT-UHFFFAOYSA-N 2 2 265.357 2.368 20 5 CEBDLP [NH3+]C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000415062692 394870827 /nfs/dbraw/zinc/87/08/27/394870827.db2.gz FTJZLQPOGAMZON-CQSZACIVSA-N 2 2 263.341 2.202 20 5 CEBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000040623492 174355641 /nfs/dbraw/zinc/35/56/41/174355641.db2.gz NCKHNYSDDMAGCM-NSHDSACASA-N 2 2 283.397 2.476 20 5 CEBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000040623492 174355643 /nfs/dbraw/zinc/35/56/43/174355643.db2.gz NCKHNYSDDMAGCM-NSHDSACASA-N 2 2 283.397 2.476 20 5 CEBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397456449 270354516 /nfs/dbraw/zinc/35/45/16/270354516.db2.gz OIMKELZRTKXHKS-SCVCMEIPSA-N 2 2 283.397 2.462 20 5 CEBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397456449 270354518 /nfs/dbraw/zinc/35/45/18/270354518.db2.gz OIMKELZRTKXHKS-SCVCMEIPSA-N 2 2 283.397 2.462 20 5 CEBDLP C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000420341743 270521497 /nfs/dbraw/zinc/52/14/97/270521497.db2.gz QDIZRXZWBNEYNB-TZMCWYRMSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000420341743 270521500 /nfs/dbraw/zinc/52/15/00/270521500.db2.gz QDIZRXZWBNEYNB-TZMCWYRMSA-N 2 2 293.367 2.033 20 5 CEBDLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270458 270885497 /nfs/dbraw/zinc/88/54/97/270885497.db2.gz WTZROEROJMLDLQ-GWCFXTLKSA-N 2 2 251.330 2.229 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000582132113 322450090 /nfs/dbraw/zinc/45/00/90/322450090.db2.gz BAAOAALUVUDBGH-ZDUSSCGKSA-N 2 2 272.308 2.068 20 5 CEBDLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444846 527238134 /nfs/dbraw/zinc/23/81/34/527238134.db2.gz OONCFIDPJBVATM-SECBINFHSA-N 2 2 269.732 2.029 20 5 CEBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444846 527238140 /nfs/dbraw/zinc/23/81/40/527238140.db2.gz OONCFIDPJBVATM-SECBINFHSA-N 2 2 269.732 2.029 20 5 CEBDLP CCO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000926961387 632389093 /nfs/dbraw/zinc/38/90/93/632389093.db2.gz IWKIELDFSNXLKN-IUODEOHRSA-N 2 2 295.383 2.212 20 5 CEBDLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962253 633804850 /nfs/dbraw/zinc/80/48/50/633804850.db2.gz KAAKUVNEKWSKSK-JQWIXIFHSA-N 2 2 280.372 2.345 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000904448872 635640509 /nfs/dbraw/zinc/64/05/09/635640509.db2.gz DLURDCDCTBLXRL-UHFFFAOYSA-N 2 2 287.319 2.436 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056863 640258745 /nfs/dbraw/zinc/25/87/45/640258745.db2.gz BDFILDLRQIBZMD-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056863 640258747 /nfs/dbraw/zinc/25/87/47/640258747.db2.gz BDFILDLRQIBZMD-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001173217282 815623769 /nfs/dbraw/zinc/62/37/69/815623769.db2.gz RMNCEMVWWMFAEO-ZDUSSCGKSA-N 2 2 288.351 2.402 20 5 CEBDLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235524173 344591496 /nfs/dbraw/zinc/59/14/96/344591496.db2.gz JNKRNLUXFNRJOF-AAEUAGOBSA-N 2 2 263.341 2.388 20 5 CEBDLP C[N@@H+]1CC[C@@H]2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272392782 344667946 /nfs/dbraw/zinc/66/79/46/344667946.db2.gz YFWRGCZWBCFRPZ-GDBMZVCRSA-N 2 2 289.379 2.163 20 5 CEBDLP C[N@H+]1CC[C@@H]2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272392782 344667947 /nfs/dbraw/zinc/66/79/47/344667947.db2.gz YFWRGCZWBCFRPZ-GDBMZVCRSA-N 2 2 289.379 2.163 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272392782 344667949 /nfs/dbraw/zinc/66/79/49/344667949.db2.gz YFWRGCZWBCFRPZ-GDBMZVCRSA-N 2 2 289.379 2.163 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272392782 344667950 /nfs/dbraw/zinc/66/79/50/344667950.db2.gz YFWRGCZWBCFRPZ-GDBMZVCRSA-N 2 2 289.379 2.163 20 5 CEBDLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581214 345266746 /nfs/dbraw/zinc/26/67/46/345266746.db2.gz NYEYZIDORDDNQF-OBJOEFQTSA-N 2 2 281.331 2.336 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000595039640 345733091 /nfs/dbraw/zinc/73/30/91/345733091.db2.gz UPDZHLAOHRUHAL-VXGBXAGGSA-N 2 2 295.383 2.452 20 5 CEBDLP Cc1[nH+]cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC000597122300 346131426 /nfs/dbraw/zinc/13/14/26/346131426.db2.gz XLNIXYCIMPJSAE-UHFFFAOYSA-N 2 2 288.351 2.311 20 5 CEBDLP Cc1[nH+]cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC000597122300 346131428 /nfs/dbraw/zinc/13/14/28/346131428.db2.gz XLNIXYCIMPJSAE-UHFFFAOYSA-N 2 2 288.351 2.311 20 5 CEBDLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600710060 346675311 /nfs/dbraw/zinc/67/53/11/346675311.db2.gz NSVDVRMSKGNLCU-NQBHXWOUSA-N 2 2 263.341 2.386 20 5 CEBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602752775 347185880 /nfs/dbraw/zinc/18/58/80/347185880.db2.gz UJMSLOVXUOKAEL-OAHLLOKOSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602752775 347185883 /nfs/dbraw/zinc/18/58/83/347185883.db2.gz UJMSLOVXUOKAEL-OAHLLOKOSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1C[C@@H]2C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000618826186 349047055 /nfs/dbraw/zinc/04/70/55/349047055.db2.gz SBDBPJZXXHVCQB-MURIBYQFSA-N 2 2 287.363 2.101 20 5 CEBDLP C[N@@H+]1C[C@@H]2C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000618826186 349047057 /nfs/dbraw/zinc/04/70/57/349047057.db2.gz SBDBPJZXXHVCQB-MURIBYQFSA-N 2 2 287.363 2.101 20 5 CEBDLP C[NH+]1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000618826186 349047061 /nfs/dbraw/zinc/04/70/61/349047061.db2.gz SBDBPJZXXHVCQB-MURIBYQFSA-N 2 2 287.363 2.101 20 5 CEBDLP C[NH+]1C[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000618826186 349047064 /nfs/dbraw/zinc/04/70/64/349047064.db2.gz SBDBPJZXXHVCQB-MURIBYQFSA-N 2 2 287.363 2.101 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720986 180031444 /nfs/dbraw/zinc/03/14/44/180031444.db2.gz GIDRIXQCXJHTJO-WCQYABFASA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000090720986 180031447 /nfs/dbraw/zinc/03/14/47/180031447.db2.gz GIDRIXQCXJHTJO-WCQYABFASA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721707 180031839 /nfs/dbraw/zinc/03/18/39/180031839.db2.gz SQWVXWYDNQTYST-AAEUAGOBSA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090721707 180031841 /nfs/dbraw/zinc/03/18/41/180031841.db2.gz SQWVXWYDNQTYST-AAEUAGOBSA-N 2 2 263.341 2.167 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070074602 363027391 /nfs/dbraw/zinc/02/73/91/363027391.db2.gz MZMHJHAGFUJQLE-RYUDHWBXSA-N 2 2 293.367 2.163 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070074602 363027394 /nfs/dbraw/zinc/02/73/94/363027394.db2.gz MZMHJHAGFUJQLE-RYUDHWBXSA-N 2 2 293.367 2.163 20 5 CEBDLP C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163446722 367240469 /nfs/dbraw/zinc/24/04/69/367240469.db2.gz XJXHMUSTONPBOU-ONGXEEELSA-N 2 2 269.370 2.073 20 5 CEBDLP C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163446722 367240472 /nfs/dbraw/zinc/24/04/72/367240472.db2.gz XJXHMUSTONPBOU-ONGXEEELSA-N 2 2 269.370 2.073 20 5 CEBDLP C[NH2+]C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261577878 371659744 /nfs/dbraw/zinc/65/97/44/371659744.db2.gz CXIUGZKLJUKFEL-NSHDSACASA-N 2 2 263.341 2.340 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272581016 373562441 /nfs/dbraw/zinc/56/24/41/373562441.db2.gz GRVPZHSVXCRJMT-HOCLYGCPSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272581016 373562444 /nfs/dbraw/zinc/56/24/44/373562444.db2.gz GRVPZHSVXCRJMT-HOCLYGCPSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272581016 373562448 /nfs/dbraw/zinc/56/24/48/373562448.db2.gz GRVPZHSVXCRJMT-HOCLYGCPSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272581016 373562454 /nfs/dbraw/zinc/56/24/54/373562454.db2.gz GRVPZHSVXCRJMT-HOCLYGCPSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272581018 373562682 /nfs/dbraw/zinc/56/26/82/373562682.db2.gz GRVPZHSVXCRJMT-ZBFHGGJFSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272581018 373562685 /nfs/dbraw/zinc/56/26/85/373562685.db2.gz GRVPZHSVXCRJMT-ZBFHGGJFSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272581018 373562688 /nfs/dbraw/zinc/56/26/88/373562688.db2.gz GRVPZHSVXCRJMT-ZBFHGGJFSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272581018 373562690 /nfs/dbraw/zinc/56/26/90/373562690.db2.gz GRVPZHSVXCRJMT-ZBFHGGJFSA-N 2 2 289.379 2.429 20 5 CEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423145678 377044728 /nfs/dbraw/zinc/04/47/28/377044728.db2.gz LZAVDKMQHARWRZ-DYEKYZERSA-N 2 2 293.367 2.012 20 5 CEBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)c1 ZINC000423299060 377228289 /nfs/dbraw/zinc/22/82/89/377228289.db2.gz AZXIGZSSGHNWGL-KRWDZBQOSA-N 2 2 297.358 2.493 20 5 CEBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898795 377814762 /nfs/dbraw/zinc/81/47/62/377814762.db2.gz WIRMKSHULAULJT-GHMZBOCLSA-N 2 2 289.339 2.113 20 5 CEBDLP C[NH2+]C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000347022478 218094026 /nfs/dbraw/zinc/09/40/26/218094026.db2.gz OOGUIPAADQPWGY-XQRVVYSFSA-N 2 2 275.352 2.292 20 5 CEBDLP C[NH2+]C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000347069215 218112555 /nfs/dbraw/zinc/11/25/55/218112555.db2.gz OQWYJUXGFPZKNX-UHFFFAOYSA-N 2 2 263.341 2.087 20 5 CEBDLP C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000311210659 394536863 /nfs/dbraw/zinc/53/68/63/394536863.db2.gz OXEUIGBOAJLDAF-BXKDBHETSA-N 2 2 269.370 2.073 20 5 CEBDLP C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000311210659 394536867 /nfs/dbraw/zinc/53/68/67/394536867.db2.gz OXEUIGBOAJLDAF-BXKDBHETSA-N 2 2 269.370 2.073 20 5 CEBDLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331550248 394631800 /nfs/dbraw/zinc/63/18/00/394631800.db2.gz IHYBRUJFRHKDSH-QMTHXVAHSA-N 2 2 275.352 2.269 20 5 CEBDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414836060 394761590 /nfs/dbraw/zinc/76/15/90/394761590.db2.gz HYVGIIXZFBERCB-LBPRGKRZSA-N 2 2 251.330 2.058 20 5 CEBDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272628121 394776176 /nfs/dbraw/zinc/77/61/76/394776176.db2.gz MRUUXRLFSBWQPV-DOMZBBRYSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272628121 394776179 /nfs/dbraw/zinc/77/61/79/394776179.db2.gz MRUUXRLFSBWQPV-DOMZBBRYSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272628121 394776183 /nfs/dbraw/zinc/77/61/83/394776183.db2.gz MRUUXRLFSBWQPV-DOMZBBRYSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272628121 394776184 /nfs/dbraw/zinc/77/61/84/394776184.db2.gz MRUUXRLFSBWQPV-DOMZBBRYSA-N 2 2 275.352 2.121 20 5 CEBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000415047689 394863982 /nfs/dbraw/zinc/86/39/82/394863982.db2.gz FLLJMKCRDFXRSW-GFCCVEGCSA-N 2 2 251.330 2.058 20 5 CEBDLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284301459 196025390 /nfs/dbraw/zinc/02/53/90/196025390.db2.gz YSSUQHHEWNMWQK-LLVKDONJSA-N 2 2 289.339 2.114 20 5 CEBDLP CC[NH+](CC)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562495 173272750 /nfs/dbraw/zinc/27/27/50/173272750.db2.gz QWPMLDVDKLRHHR-UHFFFAOYSA-N 2 2 271.386 2.478 20 5 CEBDLP CC(C)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000359461249 278037055 /nfs/dbraw/zinc/03/70/55/278037055.db2.gz XVKUDUFIVFCHQS-ZIAGYGMSSA-N 2 2 289.379 2.369 20 5 CEBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCn1cc[nH+]c1 ZINC000050443678 527332614 /nfs/dbraw/zinc/33/26/14/527332614.db2.gz NSXDIKAMCPQVTO-UHFFFAOYSA-N 2 2 280.715 2.235 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010893 623407104 /nfs/dbraw/zinc/40/71/04/623407104.db2.gz VACGMOFITJASQI-GXSJLCMTSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010893 623407108 /nfs/dbraw/zinc/40/71/08/623407108.db2.gz VACGMOFITJASQI-GXSJLCMTSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902428506 634649067 /nfs/dbraw/zinc/64/90/67/634649067.db2.gz DSJASCHUDAHXTI-OUCADQQQSA-N 2 2 277.368 2.286 20 5 CEBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000841032335 631820336 /nfs/dbraw/zinc/82/03/36/631820336.db2.gz COAHLJMAMTUUKI-SNVBAGLBSA-N 2 2 283.759 2.337 20 5 CEBDLP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC([NH3+])C1 ZINC000843125295 640292364 /nfs/dbraw/zinc/29/23/64/640292364.db2.gz RCWITOQXMQAWFW-UHFFFAOYSA-N 2 2 269.732 2.170 20 5 CEBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC([NH3+])C1 ZINC000843125295 640292368 /nfs/dbraw/zinc/29/23/68/640292368.db2.gz RCWITOQXMQAWFW-UHFFFAOYSA-N 2 2 269.732 2.170 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074732 641629845 /nfs/dbraw/zinc/62/98/45/641629845.db2.gz MQQGDODHILGNGH-WDEREUQCSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074732 641629849 /nfs/dbraw/zinc/62/98/49/641629849.db2.gz MQQGDODHILGNGH-WDEREUQCSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000708875445 809937358 /nfs/dbraw/zinc/93/73/58/809937358.db2.gz BOIQGLSZLCGDNX-MWLCHTKSSA-N 2 2 283.759 2.275 20 5 CEBDLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000708875445 809937362 /nfs/dbraw/zinc/93/73/62/809937362.db2.gz BOIQGLSZLCGDNX-MWLCHTKSSA-N 2 2 283.759 2.275 20 5 CEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001173214482 815636637 /nfs/dbraw/zinc/63/66/37/815636637.db2.gz NVBGWLQEORJFPL-WFASDCNBSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001173214482 815636640 /nfs/dbraw/zinc/63/66/40/815636640.db2.gz NVBGWLQEORJFPL-WFASDCNBSA-N 2 2 277.368 2.210 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601969815 346946421 /nfs/dbraw/zinc/94/64/21/346946421.db2.gz FNPYAWDQDGYJFP-DURLZJIISA-N 2 2 287.363 2.340 20 5 CEBDLP CC1CC[NH+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602516306 347063507 /nfs/dbraw/zinc/06/35/07/347063507.db2.gz YCTDYBKMEOXALR-UHFFFAOYSA-N 2 2 291.395 2.459 20 5 CEBDLP C[C@@H]1CCC[N@H+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602515645 347063847 /nfs/dbraw/zinc/06/38/47/347063847.db2.gz RCXCOAWLMGUOOC-CQSZACIVSA-N 2 2 291.395 2.459 20 5 CEBDLP C[C@@H]1CCC[N@@H+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602515645 347063850 /nfs/dbraw/zinc/06/38/50/347063850.db2.gz RCXCOAWLMGUOOC-CQSZACIVSA-N 2 2 291.395 2.459 20 5 CEBDLP CC[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251909505 344637984 /nfs/dbraw/zinc/63/79/84/344637984.db2.gz XPAPEKSISHHOGV-WDEREUQCSA-N 2 2 269.370 2.216 20 5 CEBDLP CC[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251909505 344637987 /nfs/dbraw/zinc/63/79/87/344637987.db2.gz XPAPEKSISHHOGV-WDEREUQCSA-N 2 2 269.370 2.216 20 5 CEBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000602567126 347081114 /nfs/dbraw/zinc/08/11/14/347081114.db2.gz VBWPXMLOLUXKPP-OAHLLOKOSA-N 2 2 289.379 2.211 20 5 CEBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000602567126 347081115 /nfs/dbraw/zinc/08/11/15/347081115.db2.gz VBWPXMLOLUXKPP-OAHLLOKOSA-N 2 2 289.379 2.211 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591579937 345266736 /nfs/dbraw/zinc/26/67/36/345266736.db2.gz ANGZKXFEHYRMIG-WXHSDQCUSA-N 2 2 281.331 2.254 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CCC2 ZINC000591579986 345266826 /nfs/dbraw/zinc/26/68/26/345266826.db2.gz DGKQLHSNRLUVEZ-HUBLWGQQSA-N 2 2 293.342 2.262 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000594738623 345682467 /nfs/dbraw/zinc/68/24/67/345682467.db2.gz IMQFEUMTJVPQIY-UHFFFAOYSA-N 2 2 293.367 2.355 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000598993932 346443593 /nfs/dbraw/zinc/44/35/93/346443593.db2.gz USNOXUNRZMOOLW-CQSZACIVSA-N 2 2 263.341 2.087 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000598993932 346443596 /nfs/dbraw/zinc/44/35/96/346443596.db2.gz USNOXUNRZMOOLW-CQSZACIVSA-N 2 2 263.341 2.087 20 5 CEBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000600677224 346671874 /nfs/dbraw/zinc/67/18/74/346671874.db2.gz CQIYQNTYVBFSHP-UONOGXRCSA-N 2 2 263.341 2.133 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600681649 346672482 /nfs/dbraw/zinc/67/24/82/346672482.db2.gz ZVYJEIYTKVOIQH-AAEUAGOBSA-N 2 2 263.341 2.133 20 5 CEBDLP C[N@@H+]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000608836139 347622558 /nfs/dbraw/zinc/62/25/58/347622558.db2.gz SBZLAYQSWKKYQX-HJHHMULASA-N 2 2 275.352 2.292 20 5 CEBDLP C[N@H+]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000608836139 347622560 /nfs/dbraw/zinc/62/25/60/347622560.db2.gz SBZLAYQSWKKYQX-HJHHMULASA-N 2 2 275.352 2.292 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171981 363045036 /nfs/dbraw/zinc/04/50/36/363045036.db2.gz WMOHZRSPFXHXFI-GXSJLCMTSA-N 2 2 269.370 2.216 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171981 363045042 /nfs/dbraw/zinc/04/50/42/363045042.db2.gz WMOHZRSPFXHXFI-GXSJLCMTSA-N 2 2 269.370 2.216 20 5 CEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000123695628 187104596 /nfs/dbraw/zinc/10/45/96/187104596.db2.gz AOULJMSNCHINLH-ZDUSSCGKSA-N 2 2 265.357 2.400 20 5 CEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000123695628 187104597 /nfs/dbraw/zinc/10/45/97/187104597.db2.gz AOULJMSNCHINLH-ZDUSSCGKSA-N 2 2 265.357 2.400 20 5 CEBDLP Cc1c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292131609 198175323 /nfs/dbraw/zinc/17/53/23/198175323.db2.gz LFQXSRLETYHURS-MRXNPFEDSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292131609 198175324 /nfs/dbraw/zinc/17/53/24/198175324.db2.gz LFQXSRLETYHURS-MRXNPFEDSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292131609 198175325 /nfs/dbraw/zinc/17/53/25/198175325.db2.gz LFQXSRLETYHURS-MRXNPFEDSA-N 2 2 289.379 2.431 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292131609 198175327 /nfs/dbraw/zinc/17/53/27/198175327.db2.gz LFQXSRLETYHURS-MRXNPFEDSA-N 2 2 289.379 2.431 20 5 CEBDLP CC[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000158757788 188393268 /nfs/dbraw/zinc/39/32/68/188393268.db2.gz YSBNVRQXNXAWJI-HNNXBMFYSA-N 2 2 291.395 2.457 20 5 CEBDLP CC[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000158757788 188393270 /nfs/dbraw/zinc/39/32/70/188393270.db2.gz YSBNVRQXNXAWJI-HNNXBMFYSA-N 2 2 291.395 2.457 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000582725136 366949834 /nfs/dbraw/zinc/94/98/34/366949834.db2.gz GFSMIMDMIVRRDX-MRXNPFEDSA-N 2 2 289.379 2.479 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000582725136 366949844 /nfs/dbraw/zinc/94/98/44/366949844.db2.gz GFSMIMDMIVRRDX-MRXNPFEDSA-N 2 2 289.379 2.479 20 5 CEBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000173352127 367900755 /nfs/dbraw/zinc/90/07/55/367900755.db2.gz LUGGHAUYIKCKJY-FZMZJTMJSA-N 2 2 263.341 2.340 20 5 CEBDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283036317 375641859 /nfs/dbraw/zinc/64/18/59/375641859.db2.gz IBIAGTAXNKAYRC-GFCCVEGCSA-N 2 2 281.331 2.117 20 5 CEBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283036317 375641867 /nfs/dbraw/zinc/64/18/67/375641867.db2.gz IBIAGTAXNKAYRC-GFCCVEGCSA-N 2 2 281.331 2.117 20 5 CEBDLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423200267 377116133 /nfs/dbraw/zinc/11/61/33/377116133.db2.gz FEVQSHTWAALCCF-TZMCWYRMSA-N 2 2 263.341 2.388 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000347106433 218122522 /nfs/dbraw/zinc/12/25/22/218122522.db2.gz LULYDYFHPAAHGP-WCQYABFASA-N 2 2 263.341 2.072 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000347106433 218122523 /nfs/dbraw/zinc/12/25/23/218122523.db2.gz LULYDYFHPAAHGP-WCQYABFASA-N 2 2 263.341 2.072 20 5 CEBDLP C[NH+](C)C1CC[NH+](CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000267220583 190313168 /nfs/dbraw/zinc/31/31/68/190313168.db2.gz SOWIQUGVMYPMJZ-UHFFFAOYSA-N 2 2 292.383 2.033 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000414850709 394770274 /nfs/dbraw/zinc/77/02/74/394770274.db2.gz ZQBRTJISUQFTQS-UHFFFAOYSA-N 2 2 263.341 2.346 20 5 CEBDLP C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000420341738 395336720 /nfs/dbraw/zinc/33/67/20/395336720.db2.gz QDIZRXZWBNEYNB-GXTWGEPZSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000420341738 395336724 /nfs/dbraw/zinc/33/67/24/395336724.db2.gz QDIZRXZWBNEYNB-GXTWGEPZSA-N 2 2 293.367 2.033 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346662416 154291534 /nfs/dbraw/zinc/29/15/34/154291534.db2.gz BVWPLVLAMOZFOD-VXGBXAGGSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346662416 154291538 /nfs/dbraw/zinc/29/15/38/154291538.db2.gz BVWPLVLAMOZFOD-VXGBXAGGSA-N 2 2 293.367 2.163 20 5 CEBDLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127087 171011869 /nfs/dbraw/zinc/01/18/69/171011869.db2.gz KKFFQKPNLBAGSB-GFCCVEGCSA-N 2 2 263.341 2.341 20 5 CEBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000430601415 271399161 /nfs/dbraw/zinc/39/91/61/271399161.db2.gz UCCBBIDKKWPDMG-LLVKDONJSA-N 2 2 257.359 2.119 20 5 CEBDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272628130 277177553 /nfs/dbraw/zinc/17/75/53/277177553.db2.gz MRUUXRLFSBWQPV-WFASDCNBSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272628130 277177554 /nfs/dbraw/zinc/17/75/54/277177554.db2.gz MRUUXRLFSBWQPV-WFASDCNBSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272628130 277177555 /nfs/dbraw/zinc/17/75/55/277177555.db2.gz MRUUXRLFSBWQPV-WFASDCNBSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272628130 277177556 /nfs/dbraw/zinc/17/75/56/277177556.db2.gz MRUUXRLFSBWQPV-WFASDCNBSA-N 2 2 275.352 2.121 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576122166 314245135 /nfs/dbraw/zinc/24/51/35/314245135.db2.gz YJDATZPFSGVDMA-MFKMUULPSA-N 2 2 298.346 2.452 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000576122166 314245140 /nfs/dbraw/zinc/24/51/40/314245140.db2.gz YJDATZPFSGVDMA-MFKMUULPSA-N 2 2 298.346 2.452 20 5 CEBDLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050249425 623374514 /nfs/dbraw/zinc/37/45/14/623374514.db2.gz XVBZWXGHJQFXBO-SECBINFHSA-N 2 2 269.732 2.029 20 5 CEBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050249425 623374521 /nfs/dbraw/zinc/37/45/21/623374521.db2.gz XVBZWXGHJQFXBO-SECBINFHSA-N 2 2 269.732 2.029 20 5 CEBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975023 629407907 /nfs/dbraw/zinc/40/79/07/629407907.db2.gz QQGBQGGSOBPHFD-GXSJLCMTSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975023 629407912 /nfs/dbraw/zinc/40/79/12/629407912.db2.gz QQGBQGGSOBPHFD-GXSJLCMTSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841064697 632383165 /nfs/dbraw/zinc/38/31/65/632383165.db2.gz TVDSJLSMUUCZGT-CABZTGNLSA-N 2 2 283.759 2.336 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[NH2+]C1 ZINC000903722499 635236126 /nfs/dbraw/zinc/23/61/26/635236126.db2.gz BNKBFGLKQZOFGR-CYBMUJFWSA-N 2 2 277.368 2.416 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[NH2+]C1 ZINC000903722499 635236127 /nfs/dbraw/zinc/23/61/27/635236127.db2.gz BNKBFGLKQZOFGR-CYBMUJFWSA-N 2 2 277.368 2.416 20 5 CEBDLP [NH3+][C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841051954 639633426 /nfs/dbraw/zinc/63/34/26/639633426.db2.gz WNFLEKNTWWJROJ-NSHDSACASA-N 2 2 269.732 2.075 20 5 CEBDLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841064077 639639470 /nfs/dbraw/zinc/63/94/70/639639470.db2.gz PABNSEHPPHFDPX-NOZJJQNGSA-N 2 2 283.759 2.336 20 5 CEBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841071368 639642655 /nfs/dbraw/zinc/64/26/55/639642655.db2.gz DXWMOAMVYXDYDT-VIFPVBQESA-N 2 2 257.721 2.075 20 5 CEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+](C)C ZINC000866356000 647753114 /nfs/dbraw/zinc/75/31/14/647753114.db2.gz ILFDLVVLRFPHCS-MNOVXSKESA-N 2 2 283.347 2.205 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000601325007 346821118 /nfs/dbraw/zinc/82/11/18/346821118.db2.gz WBARULGZZBQINE-CYBMUJFWSA-N 2 2 293.367 2.177 20 5 CEBDLP [NH3+][C@@H]1CCCCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000601325007 346821121 /nfs/dbraw/zinc/82/11/21/346821121.db2.gz WBARULGZZBQINE-CYBMUJFWSA-N 2 2 293.367 2.177 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325234 346821277 /nfs/dbraw/zinc/82/12/77/346821277.db2.gz AXAHUXNVVKOFLS-DGCLKSJQSA-N 2 2 293.367 2.020 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325234 346821279 /nfs/dbraw/zinc/82/12/79/346821279.db2.gz AXAHUXNVVKOFLS-DGCLKSJQSA-N 2 2 293.367 2.020 20 5 CEBDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000037655340 361920121 /nfs/dbraw/zinc/92/01/21/361920121.db2.gz KMPGFMONMVKKHS-LBPRGKRZSA-N 2 2 263.341 2.026 20 5 CEBDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000037655340 361920125 /nfs/dbraw/zinc/92/01/25/361920125.db2.gz KMPGFMONMVKKHS-LBPRGKRZSA-N 2 2 263.341 2.026 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041066845 362015652 /nfs/dbraw/zinc/01/56/52/362015652.db2.gz LSGHIQSXLDZCTK-ZDUSSCGKSA-N 2 2 263.341 2.026 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041066845 362015654 /nfs/dbraw/zinc/01/56/54/362015654.db2.gz LSGHIQSXLDZCTK-ZDUSSCGKSA-N 2 2 263.341 2.026 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000041119372 362019636 /nfs/dbraw/zinc/01/96/36/362019636.db2.gz GMWYRGQIGRAYPN-LBPRGKRZSA-N 2 2 274.324 2.451 20 5 CEBDLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235223883 344589576 /nfs/dbraw/zinc/58/95/76/344589576.db2.gz JNKRNLUXFNRJOF-YPMHNXCESA-N 2 2 263.341 2.388 20 5 CEBDLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577299 345265912 /nfs/dbraw/zinc/26/59/12/345265912.db2.gz NKBQLLOTEANDPR-CQSZACIVSA-N 2 2 263.341 2.388 20 5 CEBDLP CC[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489424 345359405 /nfs/dbraw/zinc/35/94/05/345359405.db2.gz VKNYNMWFGGMIMK-GWCFXTLKSA-N 2 2 281.331 2.293 20 5 CEBDLP CC[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489424 345359409 /nfs/dbraw/zinc/35/94/09/345359409.db2.gz VKNYNMWFGGMIMK-GWCFXTLKSA-N 2 2 281.331 2.293 20 5 CEBDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292135041 198177422 /nfs/dbraw/zinc/17/74/22/198177422.db2.gz LRBAVCNQKUYEGH-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292135041 198177423 /nfs/dbraw/zinc/17/74/23/198177423.db2.gz LRBAVCNQKUYEGH-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292135041 198177424 /nfs/dbraw/zinc/17/74/24/198177424.db2.gz LRBAVCNQKUYEGH-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292135041 198177425 /nfs/dbraw/zinc/17/74/25/198177425.db2.gz LRBAVCNQKUYEGH-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000192604410 369833584 /nfs/dbraw/zinc/83/35/84/369833584.db2.gz FXGLOBIEUGANHS-HNNXBMFYSA-N 2 2 286.335 2.459 20 5 CEBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)C[NH3+] ZINC000261584663 371663270 /nfs/dbraw/zinc/66/32/70/371663270.db2.gz HXOGOBGUHLLAOY-UHFFFAOYSA-N 2 2 269.320 2.151 20 5 CEBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)C[NH3+] ZINC000261584663 371663275 /nfs/dbraw/zinc/66/32/75/371663275.db2.gz HXOGOBGUHLLAOY-UHFFFAOYSA-N 2 2 269.320 2.151 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261961748 371786427 /nfs/dbraw/zinc/78/64/27/371786427.db2.gz HJLMLDZXMHASPV-HNNXBMFYSA-N 2 2 275.352 2.089 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261961748 371786434 /nfs/dbraw/zinc/78/64/34/371786434.db2.gz HJLMLDZXMHASPV-HNNXBMFYSA-N 2 2 275.352 2.089 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262110965 371825848 /nfs/dbraw/zinc/82/58/48/371825848.db2.gz WKECIAIVBOZPIP-LLCTXKFZSA-N 2 2 287.363 2.293 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262110965 371825851 /nfs/dbraw/zinc/82/58/51/371825851.db2.gz WKECIAIVBOZPIP-LLCTXKFZSA-N 2 2 287.363 2.293 20 5 CEBDLP C[NH2+]C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347151336 218139538 /nfs/dbraw/zinc/13/95/38/218139538.db2.gz BDGRJNVYRGFWGH-BPJJOFIESA-N 2 2 275.352 2.149 20 5 CEBDLP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347151336 218139540 /nfs/dbraw/zinc/13/95/40/218139540.db2.gz BDGRJNVYRGFWGH-BPJJOFIESA-N 2 2 275.352 2.149 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000332197864 285144899 /nfs/dbraw/zinc/14/48/99/285144899.db2.gz DZPSAJKIBBIBNI-IUODEOHRSA-N 2 2 275.352 2.314 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414968981 394830813 /nfs/dbraw/zinc/83/08/13/394830813.db2.gz YWLMCUMVTVACDN-BXUZGUMPSA-N 2 2 293.367 2.081 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000347033648 395117892 /nfs/dbraw/zinc/11/78/92/395117892.db2.gz BXCNNFZDKDRYGT-IAQYHMDHSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000347033648 395117894 /nfs/dbraw/zinc/11/78/94/395117894.db2.gz BXCNNFZDKDRYGT-IAQYHMDHSA-N 2 2 277.368 2.462 20 5 CEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC([NH3+])C1 ZINC000420323235 395325809 /nfs/dbraw/zinc/32/58/09/395325809.db2.gz BDTVUWKAZNCWTD-UHFFFAOYSA-N 2 2 293.367 2.304 20 5 CEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000420323235 395325818 /nfs/dbraw/zinc/32/58/18/395325818.db2.gz BDTVUWKAZNCWTD-UHFFFAOYSA-N 2 2 293.367 2.304 20 5 CEBDLP C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420420624 395375505 /nfs/dbraw/zinc/37/55/05/395375505.db2.gz YAXCFQZFKLCDQE-WDEREUQCSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420420624 395375508 /nfs/dbraw/zinc/37/55/08/395375508.db2.gz YAXCFQZFKLCDQE-WDEREUQCSA-N 2 2 281.331 2.151 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000566230392 395506904 /nfs/dbraw/zinc/50/69/04/395506904.db2.gz MGHCZJGTFOVPGD-HNNXBMFYSA-N 2 2 293.342 2.309 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000566230392 395506905 /nfs/dbraw/zinc/50/69/05/395506905.db2.gz MGHCZJGTFOVPGD-HNNXBMFYSA-N 2 2 293.342 2.309 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040591668 174347031 /nfs/dbraw/zinc/34/70/31/174347031.db2.gz HNAUWSCRGHVBMD-ZDUSSCGKSA-N 2 2 263.341 2.026 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040591668 174347032 /nfs/dbraw/zinc/34/70/32/174347032.db2.gz HNAUWSCRGHVBMD-ZDUSSCGKSA-N 2 2 263.341 2.026 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420357251 270525048 /nfs/dbraw/zinc/52/50/48/270525048.db2.gz SAPNFQPRSOLFJV-MJVIPROJSA-N 2 2 263.341 2.386 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420357251 270525049 /nfs/dbraw/zinc/52/50/49/270525049.db2.gz SAPNFQPRSOLFJV-MJVIPROJSA-N 2 2 263.341 2.386 20 5 CEBDLP C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)C[NH3+] ZINC000430575446 271395393 /nfs/dbraw/zinc/39/53/93/271395393.db2.gz LDGQNMLVEJXDET-UHFFFAOYSA-N 2 2 292.339 2.153 20 5 CEBDLP C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)C[NH3+] ZINC000430575446 271395395 /nfs/dbraw/zinc/39/53/95/271395395.db2.gz LDGQNMLVEJXDET-UHFFFAOYSA-N 2 2 292.339 2.153 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841062262 639638147 /nfs/dbraw/zinc/63/81/47/639638147.db2.gz VBXXYMNTUQVEGO-MWLCHTKSSA-N 2 2 283.759 2.478 20 5 CEBDLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841064080 639639600 /nfs/dbraw/zinc/63/96/00/639639600.db2.gz PABNSEHPPHFDPX-ZANVPECISA-N 2 2 283.759 2.336 20 5 CEBDLP C[N@H+](CCCCCC[NH3+])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000872155507 649299476 /nfs/dbraw/zinc/29/94/76/649299476.db2.gz NUNUGTCGPGYQTI-UHFFFAOYSA-N 2 2 281.356 2.251 20 5 CEBDLP C[N@@H+](CCCCCC[NH3+])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000872155507 649299479 /nfs/dbraw/zinc/29/94/79/649299479.db2.gz NUNUGTCGPGYQTI-UHFFFAOYSA-N 2 2 281.356 2.251 20 5 CEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001173213682 815636831 /nfs/dbraw/zinc/63/68/31/815636831.db2.gz JUKWPAAKHAXXPD-NEPJUHHUSA-N 2 2 265.357 2.066 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334741 346823551 /nfs/dbraw/zinc/82/35/51/346823551.db2.gz NBRPHVRFBAYZCO-JSGCOSHPSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334741 346823554 /nfs/dbraw/zinc/82/35/54/346823554.db2.gz NBRPHVRFBAYZCO-JSGCOSHPSA-N 2 2 275.352 2.169 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH+](C)C ZINC000449223883 282147453 /nfs/dbraw/zinc/14/74/53/282147453.db2.gz KTCGSNWFTQWCMF-NEPJUHHUSA-N 2 2 265.357 2.066 20 5 CEBDLP CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000122801286 344308032 /nfs/dbraw/zinc/30/80/32/344308032.db2.gz UTHNSRCAHJMWHV-FZMZJTMJSA-N 2 2 293.367 2.163 20 5 CEBDLP CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000122801286 344308033 /nfs/dbraw/zinc/30/80/33/344308033.db2.gz UTHNSRCAHJMWHV-FZMZJTMJSA-N 2 2 293.367 2.163 20 5 CEBDLP C[NH2+]CCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593728011 345528526 /nfs/dbraw/zinc/52/85/26/345528526.db2.gz VHLIJDLXNZTJRR-UHFFFAOYSA-N 2 2 293.367 2.122 20 5 CEBDLP CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000593728066 345528747 /nfs/dbraw/zinc/52/87/47/345528747.db2.gz YJOGXWJRCYELTH-UHFFFAOYSA-N 2 2 293.367 2.264 20 5 CEBDLP CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000593728066 345528748 /nfs/dbraw/zinc/52/87/48/345528748.db2.gz YJOGXWJRCYELTH-UHFFFAOYSA-N 2 2 293.367 2.264 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000595003148 345723712 /nfs/dbraw/zinc/72/37/12/345723712.db2.gz FGNRDAYHSYVDDR-LLVKDONJSA-N 2 2 293.367 2.348 20 5 CEBDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292135047 198177563 /nfs/dbraw/zinc/17/75/63/198177563.db2.gz LRBAVCNQKUYEGH-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292135047 198177565 /nfs/dbraw/zinc/17/75/65/198177565.db2.gz LRBAVCNQKUYEGH-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292135047 198177566 /nfs/dbraw/zinc/17/75/66/198177566.db2.gz LRBAVCNQKUYEGH-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292135047 198177568 /nfs/dbraw/zinc/17/75/68/198177568.db2.gz LRBAVCNQKUYEGH-OAHLLOKOSA-N 2 2 275.352 2.122 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261637616 371686344 /nfs/dbraw/zinc/68/63/44/371686344.db2.gz CCQLLGDSRIRWGR-ZIAGYGMSSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261637616 371686350 /nfs/dbraw/zinc/68/63/50/371686350.db2.gz CCQLLGDSRIRWGR-ZIAGYGMSSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000414779011 375964027 /nfs/dbraw/zinc/96/40/27/375964027.db2.gz GYCHKIZXEAXIDY-UHFFFAOYSA-N 2 2 263.341 2.216 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000414779011 375964030 /nfs/dbraw/zinc/96/40/30/375964030.db2.gz GYCHKIZXEAXIDY-UHFFFAOYSA-N 2 2 263.341 2.216 20 5 CEBDLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000422942892 376870808 /nfs/dbraw/zinc/87/08/08/376870808.db2.gz KWSMXZFTVSEVRA-JTNHKYCSSA-N 2 2 263.341 2.386 20 5 CEBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043147 376947364 /nfs/dbraw/zinc/94/73/64/376947364.db2.gz NLYCGBZZMCRVAA-GWCFXTLKSA-N 2 2 297.786 2.378 20 5 CEBDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884858 377461711 /nfs/dbraw/zinc/46/17/11/377461711.db2.gz JOSUVDBDQMJZDI-YPMHNXCESA-N 2 2 286.335 2.457 20 5 CEBDLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000313263293 249392185 /nfs/dbraw/zinc/39/21/85/249392185.db2.gz LSDWZXXOKUJWDP-LLVKDONJSA-N 2 2 274.324 2.222 20 5 CEBDLP CCC[NH2+]CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414867823 394778661 /nfs/dbraw/zinc/77/86/61/394778661.db2.gz JJWBAUCKEOFOTQ-FNORWQNLSA-N 2 2 263.341 2.197 20 5 CEBDLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414935047 394810941 /nfs/dbraw/zinc/81/09/41/394810941.db2.gz VVRZUROBMWEKAN-CQSZACIVSA-N 2 2 277.368 2.463 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414949817 394819671 /nfs/dbraw/zinc/81/96/71/394819671.db2.gz GUWGCINAFISUQZ-YPMHNXCESA-N 2 2 263.341 2.133 20 5 CEBDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423394518 394913454 /nfs/dbraw/zinc/91/34/54/394913454.db2.gz ZWMFNBLIYWOLEU-GHMZBOCLSA-N 2 2 251.330 2.243 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000347033657 395117821 /nfs/dbraw/zinc/11/78/21/395117821.db2.gz BXCNNFZDKDRYGT-NHYWBVRUSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000347033657 395117823 /nfs/dbraw/zinc/11/78/23/395117823.db2.gz BXCNNFZDKDRYGT-NHYWBVRUSA-N 2 2 277.368 2.462 20 5 CEBDLP Cn1c[nH+]c(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000459655991 290205997 /nfs/dbraw/zinc/20/59/97/290205997.db2.gz GXUKIPFCKNOKIN-XQRVVYSFSA-N 2 2 286.335 2.174 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000570174908 314029594 /nfs/dbraw/zinc/02/95/94/314029594.db2.gz GRYDHQJPHUYMCQ-SMDDNHRTSA-N 2 2 298.346 2.383 20 5 CEBDLP CCO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000926961259 632389250 /nfs/dbraw/zinc/38/92/50/632389250.db2.gz IWKIELDFSNXLKN-DOMZBBRYSA-N 2 2 295.383 2.212 20 5 CEBDLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962255 633804312 /nfs/dbraw/zinc/80/43/12/633804312.db2.gz KAAKUVNEKWSKSK-ZYHUDNBSSA-N 2 2 280.372 2.345 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000841061443 639638373 /nfs/dbraw/zinc/63/83/73/639638373.db2.gz JIEJOXUZCIWWFX-BXKDBHETSA-N 2 2 283.759 2.478 20 5 CEBDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841076727 639647319 /nfs/dbraw/zinc/64/73/19/639647319.db2.gz NCFUFQNGFBSQHJ-YUMQZZPRSA-N 2 2 257.721 2.074 20 5 CEBDLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877741236 650883633 /nfs/dbraw/zinc/88/36/33/650883633.db2.gz ACWQKXYWGYKCLR-DZGCQCFKSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877741236 650883636 /nfs/dbraw/zinc/88/36/36/650883636.db2.gz ACWQKXYWGYKCLR-DZGCQCFKSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877741236 650883637 /nfs/dbraw/zinc/88/36/37/650883637.db2.gz ACWQKXYWGYKCLR-DZGCQCFKSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877741236 650883638 /nfs/dbraw/zinc/88/36/38/650883638.db2.gz ACWQKXYWGYKCLR-DZGCQCFKSA-N 2 2 275.352 2.121 20 5 CEBDLP Cc1c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000873109223 649559768 /nfs/dbraw/zinc/55/97/68/649559768.db2.gz HVTMFHNMZHSUKS-CYBMUJFWSA-N 2 2 286.335 2.204 20 5 CEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001173214480 815636726 /nfs/dbraw/zinc/63/67/26/815636726.db2.gz NVBGWLQEORJFPL-SWLSCSKDSA-N 2 2 277.368 2.210 20 5 CEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001173214480 815636731 /nfs/dbraw/zinc/63/67/31/815636731.db2.gz NVBGWLQEORJFPL-SWLSCSKDSA-N 2 2 277.368 2.210 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054371 361807243 /nfs/dbraw/zinc/80/72/43/361807243.db2.gz LCOTUJUGYQQZJD-UHFFFAOYSA-N 2 2 275.352 2.311 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000037563105 361903898 /nfs/dbraw/zinc/90/38/98/361903898.db2.gz CJRCJPKXUOQVHY-UHFFFAOYSA-N 2 2 281.381 2.373 20 5 CEBDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000044533035 343474280 /nfs/dbraw/zinc/47/42/80/343474280.db2.gz DKERHLNCCUEZCP-JTQLQIEISA-N 2 2 269.370 2.088 20 5 CEBDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000044533035 343474281 /nfs/dbraw/zinc/47/42/81/343474281.db2.gz DKERHLNCCUEZCP-JTQLQIEISA-N 2 2 269.370 2.088 20 5 CEBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000596106376 345941491 /nfs/dbraw/zinc/94/14/91/345941491.db2.gz PTHZWIJACYQCKH-LLVKDONJSA-N 2 2 265.357 2.416 20 5 CEBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600710478 346675978 /nfs/dbraw/zinc/67/59/78/346675978.db2.gz RPNIUBIEDNJVNI-DDTOSNHZSA-N 2 2 263.341 2.386 20 5 CEBDLP CC[N@H+](CC[NH3+])Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000600773454 346687931 /nfs/dbraw/zinc/68/79/31/346687931.db2.gz IEYXPVPTAXOSER-UHFFFAOYSA-N 2 2 265.357 2.499 20 5 CEBDLP CC[N@@H+](CC[NH3+])Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000600773454 346687935 /nfs/dbraw/zinc/68/79/35/346687935.db2.gz IEYXPVPTAXOSER-UHFFFAOYSA-N 2 2 265.357 2.499 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351847504 219223657 /nfs/dbraw/zinc/22/36/57/219223657.db2.gz AAVXXLWOXPTUAD-VXGBXAGGSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351847504 219223663 /nfs/dbraw/zinc/22/36/63/219223663.db2.gz AAVXXLWOXPTUAD-VXGBXAGGSA-N 2 2 293.367 2.163 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720985 180031708 /nfs/dbraw/zinc/03/17/08/180031708.db2.gz GIDRIXQCXJHTJO-DGCLKSJQSA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000090720985 180031711 /nfs/dbraw/zinc/03/17/11/180031711.db2.gz GIDRIXQCXJHTJO-DGCLKSJQSA-N 2 2 263.341 2.167 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122394440 187030268 /nfs/dbraw/zinc/03/02/68/187030268.db2.gz ALVPSIFSKPXPOF-WCQYABFASA-N 2 2 293.367 2.176 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122394440 187030269 /nfs/dbraw/zinc/03/02/69/187030269.db2.gz ALVPSIFSKPXPOF-WCQYABFASA-N 2 2 293.367 2.176 20 5 CEBDLP CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122881458 540267685 /nfs/dbraw/zinc/26/76/85/540267685.db2.gz LQKRAFVYMVKLJM-OLZOCXBDSA-N 2 2 293.367 2.163 20 5 CEBDLP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122881458 540267689 /nfs/dbraw/zinc/26/76/89/540267689.db2.gz LQKRAFVYMVKLJM-OLZOCXBDSA-N 2 2 293.367 2.163 20 5 CEBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089511975 363975127 /nfs/dbraw/zinc/97/51/27/363975127.db2.gz AJJVZNVUFMROBX-YPMHNXCESA-N 2 2 263.341 2.025 20 5 CEBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089511975 363975129 /nfs/dbraw/zinc/97/51/29/363975129.db2.gz AJJVZNVUFMROBX-YPMHNXCESA-N 2 2 263.341 2.025 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000118842304 365181623 /nfs/dbraw/zinc/18/16/23/365181623.db2.gz DQJIKLGLBIQCGO-ZDUSSCGKSA-N 2 2 277.368 2.368 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000118842304 365181624 /nfs/dbraw/zinc/18/16/24/365181624.db2.gz DQJIKLGLBIQCGO-ZDUSSCGKSA-N 2 2 277.368 2.368 20 5 CEBDLP C[NH+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000118842304 365181626 /nfs/dbraw/zinc/18/16/26/365181626.db2.gz DQJIKLGLBIQCGO-ZDUSSCGKSA-N 2 2 277.368 2.368 20 5 CEBDLP C[NH+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000118842304 365181628 /nfs/dbraw/zinc/18/16/28/365181628.db2.gz DQJIKLGLBIQCGO-ZDUSSCGKSA-N 2 2 277.368 2.368 20 5 CEBDLP Cc1c(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000160164903 366977734 /nfs/dbraw/zinc/97/77/34/366977734.db2.gz JCDHOTGHBFMVNX-AWEZNQCLSA-N 2 2 263.341 2.072 20 5 CEBDLP Cc1c(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000160164903 366977742 /nfs/dbraw/zinc/97/77/42/366977742.db2.gz JCDHOTGHBFMVNX-AWEZNQCLSA-N 2 2 263.341 2.072 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261906846 371766390 /nfs/dbraw/zinc/76/63/90/371766390.db2.gz XCJLODZQPVPBLV-OAHLLOKOSA-N 2 2 293.367 2.164 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261906846 371766396 /nfs/dbraw/zinc/76/63/96/371766396.db2.gz XCJLODZQPVPBLV-OAHLLOKOSA-N 2 2 293.367 2.164 20 5 CEBDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414814452 376002788 /nfs/dbraw/zinc/00/27/88/376002788.db2.gz NSARPVFKAYFKRE-LBPRGKRZSA-N 2 2 251.330 2.202 20 5 CEBDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873952 377461302 /nfs/dbraw/zinc/46/13/02/377461302.db2.gz MCGAOYCOIRLPFX-AAEUAGOBSA-N 2 2 286.335 2.457 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245653 378838665 /nfs/dbraw/zinc/83/86/65/378838665.db2.gz HPOIAWUUIMIMIF-MJVIPROJSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245653 378838671 /nfs/dbraw/zinc/83/86/71/378838671.db2.gz HPOIAWUUIMIMIF-MJVIPROJSA-N 2 2 263.341 2.196 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422562687 394711883 /nfs/dbraw/zinc/71/18/83/394711883.db2.gz QRTNIMWPSQAPIG-HWKANZROSA-N 2 2 287.363 2.436 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414829624 394757849 /nfs/dbraw/zinc/75/78/49/394757849.db2.gz NRVXEGHIBTZLPI-SNVBAGLBSA-N 2 2 283.759 2.337 20 5 CEBDLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414945726 394817161 /nfs/dbraw/zinc/81/71/61/394817161.db2.gz RYXBRMWVYAULTD-ZANVPECISA-N 2 2 283.759 2.336 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000414952798 394821911 /nfs/dbraw/zinc/82/19/11/394821911.db2.gz QZGDPOFYQMBXNU-KOLCDFICSA-N 2 2 283.759 2.478 20 5 CEBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415035659 394857899 /nfs/dbraw/zinc/85/78/99/394857899.db2.gz DZSJUGKLPSUULZ-DLBZAZTESA-N 2 2 297.358 2.440 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427123515 395092998 /nfs/dbraw/zinc/09/29/98/395092998.db2.gz XXTWFOPZQHBGFD-DZGCQCFKSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427123515 395093000 /nfs/dbraw/zinc/09/30/00/395093000.db2.gz XXTWFOPZQHBGFD-DZGCQCFKSA-N 2 2 275.352 2.087 20 5 CEBDLP C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000420341741 395336550 /nfs/dbraw/zinc/33/65/50/395336550.db2.gz QDIZRXZWBNEYNB-OCCSQVGLSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000420341741 395336554 /nfs/dbraw/zinc/33/65/54/395336554.db2.gz QDIZRXZWBNEYNB-OCCSQVGLSA-N 2 2 293.367 2.033 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000040601340 174351686 /nfs/dbraw/zinc/35/16/86/174351686.db2.gz YWUHCMGPZKEZLA-CYBMUJFWSA-N 2 2 293.367 2.035 20 5 CEBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000040601340 174351687 /nfs/dbraw/zinc/35/16/87/174351687.db2.gz YWUHCMGPZKEZLA-CYBMUJFWSA-N 2 2 293.367 2.035 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423236261 270880170 /nfs/dbraw/zinc/88/01/70/270880170.db2.gz NVLVRUZHVAIJRK-YPMHNXCESA-N 2 2 293.367 2.396 20 5 CEBDLP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530420 281063701 /nfs/dbraw/zinc/06/37/01/281063701.db2.gz WRLQNCDUZGHOJK-HUUCEWRRSA-N 2 2 293.367 2.014 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155690394 289180007 /nfs/dbraw/zinc/18/00/07/289180007.db2.gz ZRCNSDKQUGDCHS-LBPRGKRZSA-N 2 2 274.324 2.451 20 5 CEBDLP Cn1c[nH+]cc1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000459458170 290154708 /nfs/dbraw/zinc/15/47/08/290154708.db2.gz GORYZBCVYJGTRN-UHFFFAOYSA-N 2 2 288.351 2.045 20 5 CEBDLP Cn1c[nH+]cc1CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000459458170 290154712 /nfs/dbraw/zinc/15/47/12/290154712.db2.gz GORYZBCVYJGTRN-UHFFFAOYSA-N 2 2 288.351 2.045 20 5 CEBDLP Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000568499533 313961106 /nfs/dbraw/zinc/96/11/06/313961106.db2.gz NRTVDPMYBOYHTA-UHFFFAOYSA-N 2 2 275.352 2.231 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576122164 314245582 /nfs/dbraw/zinc/24/55/82/314245582.db2.gz YJDATZPFSGVDMA-GWCFXTLKSA-N 2 2 298.346 2.452 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000576122164 314245585 /nfs/dbraw/zinc/24/55/85/314245585.db2.gz YJDATZPFSGVDMA-GWCFXTLKSA-N 2 2 298.346 2.452 20 5 CEBDLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000903845245 635302395 /nfs/dbraw/zinc/30/23/95/635302395.db2.gz GBAZOKVYXWYFMK-AXFHLTTASA-N 2 2 279.315 2.046 20 5 CEBDLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000903845245 635302401 /nfs/dbraw/zinc/30/24/01/635302401.db2.gz GBAZOKVYXWYFMK-AXFHLTTASA-N 2 2 279.315 2.046 20 5 CEBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]([NH3+])CC(F)F ZINC000903918280 635366684 /nfs/dbraw/zinc/36/66/84/635366684.db2.gz WDYTXANZEDHQRQ-LLVKDONJSA-N 2 2 287.310 2.052 20 5 CEBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]([NH3+])CC(F)F ZINC000903918280 635366687 /nfs/dbraw/zinc/36/66/87/635366687.db2.gz WDYTXANZEDHQRQ-LLVKDONJSA-N 2 2 287.310 2.052 20 5 CEBDLP CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000251875135 344637878 /nfs/dbraw/zinc/63/78/78/344637878.db2.gz UTHNSRCAHJMWHV-BXUZGUMPSA-N 2 2 293.367 2.163 20 5 CEBDLP CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000251875135 344637881 /nfs/dbraw/zinc/63/78/81/344637881.db2.gz UTHNSRCAHJMWHV-BXUZGUMPSA-N 2 2 293.367 2.163 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cs1 ZINC000591282603 345237581 /nfs/dbraw/zinc/23/75/81/345237581.db2.gz CJFPCHAJPZGLOD-NSHDSACASA-N 2 2 281.381 2.421 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591577213 345265232 /nfs/dbraw/zinc/26/52/32/345265232.db2.gz BIPMHNTXWRXNCU-NSHDSACASA-N 2 2 263.341 2.306 20 5 CEBDLP C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593733299 345529780 /nfs/dbraw/zinc/52/97/80/345529780.db2.gz LENPBAYCYYOGAB-FZMZJTMJSA-N 2 2 293.367 2.250 20 5 CEBDLP C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593733299 345529784 /nfs/dbraw/zinc/52/97/84/345529784.db2.gz LENPBAYCYYOGAB-FZMZJTMJSA-N 2 2 293.367 2.250 20 5 CEBDLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000400401830 233178227 /nfs/dbraw/zinc/17/82/27/233178227.db2.gz KWSMXZFTVSEVRA-COPLHBTASA-N 2 2 263.341 2.386 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149971 363038759 /nfs/dbraw/zinc/03/87/59/363038759.db2.gz LSCYOLXIASAOLM-CYBMUJFWSA-N 2 2 293.367 2.307 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149971 363038765 /nfs/dbraw/zinc/03/87/65/363038765.db2.gz LSCYOLXIASAOLM-CYBMUJFWSA-N 2 2 293.367 2.307 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000122318574 187026731 /nfs/dbraw/zinc/02/67/31/187026731.db2.gz VIRKPLISKMVXNQ-AAEUAGOBSA-N 2 2 275.352 2.310 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000122318574 187026732 /nfs/dbraw/zinc/02/67/32/187026732.db2.gz VIRKPLISKMVXNQ-AAEUAGOBSA-N 2 2 275.352 2.310 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@]1(C)CC[NH2+]C1 ZINC000262037036 371808059 /nfs/dbraw/zinc/80/80/59/371808059.db2.gz ORGRRRRXJUKIQI-CQSZACIVSA-N 2 2 263.341 2.026 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@]1(C)CC[NH2+]C1 ZINC000262037036 371808067 /nfs/dbraw/zinc/80/80/67/371808067.db2.gz ORGRRRRXJUKIQI-CQSZACIVSA-N 2 2 263.341 2.026 20 5 CEBDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344622540 217251175 /nfs/dbraw/zinc/25/11/75/217251175.db2.gz ZLDWECKZRMWSHY-GXTWGEPZSA-N 2 2 277.368 2.067 20 5 CEBDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344622540 217251176 /nfs/dbraw/zinc/25/11/76/217251176.db2.gz ZLDWECKZRMWSHY-GXTWGEPZSA-N 2 2 277.368 2.067 20 5 CEBDLP Cc1c([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423186557 377098584 /nfs/dbraw/zinc/09/85/84/377098584.db2.gz KJHNZTPXWYTQCT-RYUDHWBXSA-N 2 2 263.341 2.306 20 5 CEBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898841 377814914 /nfs/dbraw/zinc/81/49/14/377814914.db2.gz WIRMKSHULAULJT-QWRGUYRKSA-N 2 2 289.339 2.113 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000423480006 394929345 /nfs/dbraw/zinc/92/93/45/394929345.db2.gz VXBSHJNYJOXZMU-PWSUYJOCSA-N 2 2 281.356 2.381 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623492 395165352 /nfs/dbraw/zinc/16/53/52/395165352.db2.gz GXHSSCFCRWXUCK-WFASDCNBSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623492 395165354 /nfs/dbraw/zinc/16/53/54/395165354.db2.gz GXHSSCFCRWXUCK-WFASDCNBSA-N 2 2 293.367 2.175 20 5 CEBDLP Cc1c(C[NH2+][C@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000420367450 395353789 /nfs/dbraw/zinc/35/37/89/395353789.db2.gz SDDIXDHBJMYZCN-CYBMUJFWSA-N 2 2 265.357 2.366 20 5 CEBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170784 153290259 /nfs/dbraw/zinc/29/02/59/153290259.db2.gz FFXIKASICOUXJW-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170784 153290261 /nfs/dbraw/zinc/29/02/61/153290261.db2.gz FFXIKASICOUXJW-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000040623489 174355760 /nfs/dbraw/zinc/35/57/60/174355760.db2.gz NCKHNYSDDMAGCM-LLVKDONJSA-N 2 2 283.397 2.476 20 5 CEBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000040623489 174355762 /nfs/dbraw/zinc/35/57/62/174355762.db2.gz NCKHNYSDDMAGCM-LLVKDONJSA-N 2 2 283.397 2.476 20 5 CEBDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000430543130 271388127 /nfs/dbraw/zinc/38/81/27/271388127.db2.gz DGGDBXYRQJGDLN-ZDUSSCGKSA-N 2 2 269.320 2.197 20 5 CEBDLP C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000430565463 271392151 /nfs/dbraw/zinc/39/21/51/271392151.db2.gz AHHTYDABITUMBE-WFASDCNBSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000430565463 271392154 /nfs/dbraw/zinc/39/21/54/271392154.db2.gz AHHTYDABITUMBE-WFASDCNBSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207548 314078668 /nfs/dbraw/zinc/07/86/68/314078668.db2.gz BUAIGYBRQBXHQT-DOMZBBRYSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207548 314078670 /nfs/dbraw/zinc/07/86/70/314078670.db2.gz BUAIGYBRQBXHQT-DOMZBBRYSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207548 314078672 /nfs/dbraw/zinc/07/86/72/314078672.db2.gz BUAIGYBRQBXHQT-DOMZBBRYSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207548 314078674 /nfs/dbraw/zinc/07/86/74/314078674.db2.gz BUAIGYBRQBXHQT-DOMZBBRYSA-N 2 2 277.368 2.367 20 5 CEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000363451652 527471365 /nfs/dbraw/zinc/47/13/65/527471365.db2.gz VTTGSFMSOQUXHE-ZDUSSCGKSA-N 2 2 286.335 2.318 20 5 CEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000363451652 527471371 /nfs/dbraw/zinc/47/13/71/527471371.db2.gz VTTGSFMSOQUXHE-ZDUSSCGKSA-N 2 2 286.335 2.318 20 5 CEBDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000883441914 652471256 /nfs/dbraw/zinc/47/12/56/652471256.db2.gz ACPDANRHPRXJSE-RYUDHWBXSA-N 2 2 283.759 2.464 20 5 CEBDLP CCC1([NH3+])CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000714760323 814914646 /nfs/dbraw/zinc/91/46/46/814914646.db2.gz YFUFPJKRZPLFPJ-UHFFFAOYSA-N 2 2 263.341 2.298 20 5 CEBDLP CC[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122258106 344305954 /nfs/dbraw/zinc/30/59/54/344305954.db2.gz XPAPEKSISHHOGV-MNOVXSKESA-N 2 2 269.370 2.216 20 5 CEBDLP CC[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122258106 344305956 /nfs/dbraw/zinc/30/59/56/344305956.db2.gz XPAPEKSISHHOGV-MNOVXSKESA-N 2 2 269.370 2.216 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000591282657 345237196 /nfs/dbraw/zinc/23/71/96/345237196.db2.gz LEBRUVLGZVTHMW-GFCCVEGCSA-N 2 2 293.342 2.498 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000592431644 345352508 /nfs/dbraw/zinc/35/25/08/345352508.db2.gz UUZQPWKRUDDNNH-UHFFFAOYSA-N 2 2 293.367 2.307 20 5 CEBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726279 345528108 /nfs/dbraw/zinc/52/81/08/345528108.db2.gz FVVYERRKXVVCJM-NTZNESFSSA-N 2 2 293.367 2.106 20 5 CEBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726279 345528110 /nfs/dbraw/zinc/52/81/10/345528110.db2.gz FVVYERRKXVVCJM-NTZNESFSSA-N 2 2 293.367 2.106 20 5 CEBDLP CC[N@H+](CC[NH3+])[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000600720905 346678325 /nfs/dbraw/zinc/67/83/25/346678325.db2.gz RNTVTTRTPXOQKX-LLVKDONJSA-N 2 2 251.330 2.245 20 5 CEBDLP CC[N@@H+](CC[NH3+])[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000600720905 346678329 /nfs/dbraw/zinc/67/83/29/346678329.db2.gz RNTVTTRTPXOQKX-LLVKDONJSA-N 2 2 251.330 2.245 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720989 180031973 /nfs/dbraw/zinc/03/19/73/180031973.db2.gz GIDRIXQCXJHTJO-YPMHNXCESA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000090720989 180031975 /nfs/dbraw/zinc/03/19/75/180031975.db2.gz GIDRIXQCXJHTJO-YPMHNXCESA-N 2 2 263.341 2.167 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000122420856 187031418 /nfs/dbraw/zinc/03/14/18/187031418.db2.gz VIDSNXZHOPATRX-RISCZKNCSA-N 2 2 293.367 2.033 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000122420856 187031419 /nfs/dbraw/zinc/03/14/19/187031419.db2.gz VIDSNXZHOPATRX-RISCZKNCSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902985 369942900 /nfs/dbraw/zinc/94/29/00/369942900.db2.gz ODCVLABKDNKFCQ-BLLLJJGKSA-N 2 2 289.379 2.210 20 5 CEBDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902985 369942904 /nfs/dbraw/zinc/94/29/04/369942904.db2.gz ODCVLABKDNKFCQ-BLLLJJGKSA-N 2 2 289.379 2.210 20 5 CEBDLP C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000251561601 371406641 /nfs/dbraw/zinc/40/66/41/371406641.db2.gz AIEVMVZQFZPFSC-WFASDCNBSA-N 2 2 277.368 2.197 20 5 CEBDLP C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000251561601 371406645 /nfs/dbraw/zinc/40/66/45/371406645.db2.gz AIEVMVZQFZPFSC-WFASDCNBSA-N 2 2 277.368 2.197 20 5 CEBDLP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251689640 371412896 /nfs/dbraw/zinc/41/28/96/371412896.db2.gz IGYJNUVUAAOLEV-BXKDBHETSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251689640 371412899 /nfs/dbraw/zinc/41/28/99/371412899.db2.gz IGYJNUVUAAOLEV-BXKDBHETSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253200966 371501710 /nfs/dbraw/zinc/50/17/10/371501710.db2.gz XJXHMUSTONPBOU-MWLCHTKSSA-N 2 2 269.370 2.073 20 5 CEBDLP C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253200966 371501716 /nfs/dbraw/zinc/50/17/16/371501716.db2.gz XJXHMUSTONPBOU-MWLCHTKSSA-N 2 2 269.370 2.073 20 5 CEBDLP C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000261652617 371692768 /nfs/dbraw/zinc/69/27/68/371692768.db2.gz DKAGYBLNIIGIJN-JQWIXIFHSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000261652617 371692769 /nfs/dbraw/zinc/69/27/69/371692769.db2.gz DKAGYBLNIIGIJN-JQWIXIFHSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000268852208 372255216 /nfs/dbraw/zinc/25/52/16/372255216.db2.gz HMKLHTFRUBUWHI-WFASDCNBSA-N 2 2 291.395 2.456 20 5 CEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+](C)C ZINC000286954681 376112114 /nfs/dbraw/zinc/11/21/14/376112114.db2.gz HNWZIUXVOLPNFC-OLZOCXBDSA-N 2 2 279.384 2.456 20 5 CEBDLP CCC[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423316877 377245339 /nfs/dbraw/zinc/24/53/39/377245339.db2.gz YJEFDNVHCOBVTA-LBPRGKRZSA-N 2 2 265.357 2.115 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423275904 377199904 /nfs/dbraw/zinc/19/99/04/377199904.db2.gz MHOJXZNNRIHFFQ-GWCFXTLKSA-N 2 2 293.367 2.381 20 5 CEBDLP CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000430950719 377571543 /nfs/dbraw/zinc/57/15/43/377571543.db2.gz RZWKCXZCTGSNBS-CQSZACIVSA-N 2 2 293.367 2.048 20 5 CEBDLP CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000430950719 377571553 /nfs/dbraw/zinc/57/15/53/377571553.db2.gz RZWKCXZCTGSNBS-CQSZACIVSA-N 2 2 293.367 2.048 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898862 377813855 /nfs/dbraw/zinc/81/38/55/377813855.db2.gz WIRMKSHULAULJT-WDEREUQCSA-N 2 2 289.339 2.113 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414968984 394830394 /nfs/dbraw/zinc/83/03/94/394830394.db2.gz YWLMCUMVTVACDN-FZMZJTMJSA-N 2 2 293.367 2.081 20 5 CEBDLP C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420420620 395375930 /nfs/dbraw/zinc/37/59/30/395375930.db2.gz YAXCFQZFKLCDQE-GHMZBOCLSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420420620 395375931 /nfs/dbraw/zinc/37/59/31/395375931.db2.gz YAXCFQZFKLCDQE-GHMZBOCLSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672578 174370312 /nfs/dbraw/zinc/37/03/12/174370312.db2.gz JVUCEDRWVJHFQB-YPMHNXCESA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672578 174370314 /nfs/dbraw/zinc/37/03/14/174370314.db2.gz JVUCEDRWVJHFQB-YPMHNXCESA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423145679 270849889 /nfs/dbraw/zinc/84/98/89/270849889.db2.gz LZAVDKMQHARWRZ-MBNYWOFBSA-N 2 2 293.367 2.012 20 5 CEBDLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423466257 281048990 /nfs/dbraw/zinc/04/89/90/281048990.db2.gz NEECBXRMXOKXJY-QWRGUYRKSA-N 2 2 251.330 2.291 20 5 CEBDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207550 314078603 /nfs/dbraw/zinc/07/86/03/314078603.db2.gz BUAIGYBRQBXHQT-SWLSCSKDSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207550 314078606 /nfs/dbraw/zinc/07/86/06/314078606.db2.gz BUAIGYBRQBXHQT-SWLSCSKDSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207550 314078608 /nfs/dbraw/zinc/07/86/08/314078608.db2.gz BUAIGYBRQBXHQT-SWLSCSKDSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207550 314078610 /nfs/dbraw/zinc/07/86/10/314078610.db2.gz BUAIGYBRQBXHQT-SWLSCSKDSA-N 2 2 277.368 2.367 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000902412767 634631028 /nfs/dbraw/zinc/63/10/28/634631028.db2.gz DFZMQMFSJVZLCR-SNVBAGLBSA-N 2 2 279.340 2.135 20 5 CEBDLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000903845551 635302155 /nfs/dbraw/zinc/30/21/55/635302155.db2.gz IPCMRWMWVATJCE-XDTLVQLUSA-N 2 2 279.315 2.046 20 5 CEBDLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000903845551 635302159 /nfs/dbraw/zinc/30/21/59/635302159.db2.gz IPCMRWMWVATJCE-XDTLVQLUSA-N 2 2 279.315 2.046 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010903 805486920 /nfs/dbraw/zinc/48/69/20/805486920.db2.gz VACGMOFITJASQI-MWLCHTKSSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010903 805486928 /nfs/dbraw/zinc/48/69/28/805486928.db2.gz VACGMOFITJASQI-MWLCHTKSSA-N 2 2 283.759 2.417 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1[N+](=O)[O-] ZINC000124398017 187136316 /nfs/dbraw/zinc/13/63/16/187136316.db2.gz MZKWMOMLVVQLHP-UHFFFAOYSA-N 2 2 274.324 2.313 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1[N+](=O)[O-] ZINC000124398017 187136317 /nfs/dbraw/zinc/13/63/17/187136317.db2.gz MZKWMOMLVVQLHP-UHFFFAOYSA-N 2 2 274.324 2.313 20 5 CEBDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015583 362390146 /nfs/dbraw/zinc/39/01/46/362390146.db2.gz CUHXWXGFEJIYKH-YRGRVCCFSA-N 2 2 277.368 2.413 20 5 CEBDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015583 362390152 /nfs/dbraw/zinc/39/01/52/362390152.db2.gz CUHXWXGFEJIYKH-YRGRVCCFSA-N 2 2 277.368 2.413 20 5 CEBDLP O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161287011 344463559 /nfs/dbraw/zinc/46/35/59/344463559.db2.gz DVPCXIQUSQWCSJ-UHFFFAOYSA-N 2 2 298.346 2.312 20 5 CEBDLP CCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000328148155 344754681 /nfs/dbraw/zinc/75/46/81/344754681.db2.gz CSXAWQBMSDFLBP-AWEZNQCLSA-N 2 2 277.368 2.211 20 5 CEBDLP CCC[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000328148155 344754682 /nfs/dbraw/zinc/75/46/82/344754682.db2.gz CSXAWQBMSDFLBP-AWEZNQCLSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000591581323 345266758 /nfs/dbraw/zinc/26/67/58/345266758.db2.gz PVXKZWBXKNBVRM-TVQRCGJNSA-N 2 2 263.341 2.254 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000595010875 345725954 /nfs/dbraw/zinc/72/59/54/345725954.db2.gz ZNPDQBYWIQBYLE-AAEUAGOBSA-N 2 2 293.367 2.348 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000595010875 345725956 /nfs/dbraw/zinc/72/59/56/345725956.db2.gz ZNPDQBYWIQBYLE-AAEUAGOBSA-N 2 2 293.367 2.348 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600679466 346672956 /nfs/dbraw/zinc/67/29/56/346672956.db2.gz XAXQSAQNJADCMA-CQSZACIVSA-N 2 2 275.352 2.277 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090720518 180030653 /nfs/dbraw/zinc/03/06/53/180030653.db2.gz PPUVXBIOLHYDPG-YPMHNXCESA-N 2 2 263.341 2.167 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000090720518 180030657 /nfs/dbraw/zinc/03/06/57/180030657.db2.gz PPUVXBIOLHYDPG-YPMHNXCESA-N 2 2 263.341 2.167 20 5 CEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([NH3+])CCC1 ZINC000342138689 216234260 /nfs/dbraw/zinc/23/42/60/216234260.db2.gz NPAPAGXSMGBTTP-UHFFFAOYSA-N 2 2 293.367 2.353 20 5 CEBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352519308 369769570 /nfs/dbraw/zinc/76/95/70/369769570.db2.gz NPNXSRYBZAGKPZ-NSHDSACASA-N 2 2 281.331 2.437 20 5 CEBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352519308 369769577 /nfs/dbraw/zinc/76/95/77/369769577.db2.gz NPNXSRYBZAGKPZ-NSHDSACASA-N 2 2 281.331 2.437 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@]1(C)CC[NH2+]C1 ZINC000262037034 371807889 /nfs/dbraw/zinc/80/78/89/371807889.db2.gz ORGRRRRXJUKIQI-AWEZNQCLSA-N 2 2 263.341 2.026 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@]1(C)CC[NH2+]C1 ZINC000262037034 371807894 /nfs/dbraw/zinc/80/78/94/371807894.db2.gz ORGRRRRXJUKIQI-AWEZNQCLSA-N 2 2 263.341 2.026 20 5 CEBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998694 374120419 /nfs/dbraw/zinc/12/04/19/374120419.db2.gz GAIWUEYRQQDBLV-WFASDCNBSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998694 374120425 /nfs/dbraw/zinc/12/04/25/374120425.db2.gz GAIWUEYRQQDBLV-WFASDCNBSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998694 374120429 /nfs/dbraw/zinc/12/04/29/374120429.db2.gz GAIWUEYRQQDBLV-WFASDCNBSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998694 374120432 /nfs/dbraw/zinc/12/04/32/374120432.db2.gz GAIWUEYRQQDBLV-WFASDCNBSA-N 2 2 277.368 2.367 20 5 CEBDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414818128 376004081 /nfs/dbraw/zinc/00/40/81/376004081.db2.gz UUWJOZXCWFTLGJ-JTQLQIEISA-N 2 2 257.359 2.263 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000423017018 376931154 /nfs/dbraw/zinc/93/11/54/376931154.db2.gz NUJQJKYBSOASLB-DMDPSCGWSA-N 2 2 263.341 2.386 20 5 CEBDLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414949814 394819078 /nfs/dbraw/zinc/81/90/78/394819078.db2.gz GUWGCINAFISUQZ-DGCLKSJQSA-N 2 2 263.341 2.133 20 5 CEBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414950465 394820113 /nfs/dbraw/zinc/82/01/13/394820113.db2.gz HYFSFFMRHCTPKG-XXAOINLKSA-N 2 2 275.352 2.338 20 5 CEBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000415052423 394866294 /nfs/dbraw/zinc/86/62/94/394866294.db2.gz LEPXHFYFBWSCPN-LBPRGKRZSA-N 2 2 251.330 2.058 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC[NH2+]C ZINC000415140400 394902787 /nfs/dbraw/zinc/90/27/87/394902787.db2.gz ZDKCRIHMGPMQOF-UHFFFAOYSA-N 2 2 281.356 2.035 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC[NH2+]C ZINC000415140400 394902789 /nfs/dbraw/zinc/90/27/89/394902789.db2.gz ZDKCRIHMGPMQOF-UHFFFAOYSA-N 2 2 281.356 2.035 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000420278966 395291133 /nfs/dbraw/zinc/29/11/33/395291133.db2.gz WRPJYXYQJYRAQR-GFCCVEGCSA-N 2 2 263.341 2.260 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000420278966 395291137 /nfs/dbraw/zinc/29/11/37/395291137.db2.gz WRPJYXYQJYRAQR-GFCCVEGCSA-N 2 2 263.341 2.260 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191409 400241935 /nfs/dbraw/zinc/24/19/35/400241935.db2.gz UZWYTUKFQFXPGE-BXUZGUMPSA-N 2 2 263.341 2.297 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191409 400241942 /nfs/dbraw/zinc/24/19/42/400241942.db2.gz UZWYTUKFQFXPGE-BXUZGUMPSA-N 2 2 263.341 2.297 20 5 CEBDLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672680 174370630 /nfs/dbraw/zinc/37/06/30/174370630.db2.gz QEABEDVAOVTKEP-DGCLKSJQSA-N 2 2 263.341 2.340 20 5 CEBDLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672680 174370631 /nfs/dbraw/zinc/37/06/31/174370631.db2.gz QEABEDVAOVTKEP-DGCLKSJQSA-N 2 2 263.341 2.340 20 5 CEBDLP C[N@H+](Cc1csc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746503 174391606 /nfs/dbraw/zinc/39/16/06/174391606.db2.gz KEWGTKLTDKOIOO-FOSCPWQOSA-N 2 2 281.381 2.371 20 5 CEBDLP C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746503 174391608 /nfs/dbraw/zinc/39/16/08/174391608.db2.gz KEWGTKLTDKOIOO-FOSCPWQOSA-N 2 2 281.381 2.371 20 5 CEBDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873954 260869420 /nfs/dbraw/zinc/86/94/20/260869420.db2.gz MCGAOYCOIRLPFX-DGCLKSJQSA-N 2 2 286.335 2.457 20 5 CEBDLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423235447 270878875 /nfs/dbraw/zinc/87/88/75/270878875.db2.gz AZOGOAYYKFKWED-NSHDSACASA-N 2 2 251.330 2.163 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623489 281270486 /nfs/dbraw/zinc/27/04/86/281270486.db2.gz GXHSSCFCRWXUCK-IUODEOHRSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623489 281270488 /nfs/dbraw/zinc/27/04/88/281270488.db2.gz GXHSSCFCRWXUCK-IUODEOHRSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000386560692 321872080 /nfs/dbraw/zinc/87/20/80/321872080.db2.gz IYMDPVRJRQDPAQ-RISCZKNCSA-N 2 2 263.341 2.215 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163852988 525457997 /nfs/dbraw/zinc/45/79/97/525457997.db2.gz RVCSXCCHFZOXSC-YPMHNXCESA-N 2 2 293.367 2.020 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163852988 525458007 /nfs/dbraw/zinc/45/80/07/525458007.db2.gz RVCSXCCHFZOXSC-YPMHNXCESA-N 2 2 293.367 2.020 20 5 CEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH+](C)C ZINC000866259949 647700377 /nfs/dbraw/zinc/70/03/77/647700377.db2.gz RCGNRVQYUSNYLZ-QWRGUYRKSA-N 2 2 283.347 2.205 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000449088419 282095478 /nfs/dbraw/zinc/09/54/78/282095478.db2.gz IENCGVRCLISDOV-MLGOLLRUSA-N 2 2 291.395 2.456 20 5 CEBDLP C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049963340 362388076 /nfs/dbraw/zinc/38/80/76/362388076.db2.gz DDVSHHBUJWSSDQ-UHFFFAOYSA-N 2 2 283.759 2.432 20 5 CEBDLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596654349 346072954 /nfs/dbraw/zinc/07/29/54/346072954.db2.gz JRAKSPJYSNFGMM-IINYFYTJSA-N 2 2 263.341 2.170 20 5 CEBDLP C[N@@H+]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601099821 346752692 /nfs/dbraw/zinc/75/26/92/346752692.db2.gz GHTUYABNMXSPAF-UHFFFAOYSA-N 2 2 286.335 2.285 20 5 CEBDLP C[N@H+]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601099821 346752695 /nfs/dbraw/zinc/75/26/95/346752695.db2.gz GHTUYABNMXSPAF-UHFFFAOYSA-N 2 2 286.335 2.285 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000273450051 192155451 /nfs/dbraw/zinc/15/54/51/192155451.db2.gz YOPJDPWLHPNLQY-BBRMVZONSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000273450051 192155454 /nfs/dbraw/zinc/15/54/54/192155454.db2.gz YOPJDPWLHPNLQY-BBRMVZONSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000273450051 192155455 /nfs/dbraw/zinc/15/54/55/192155455.db2.gz YOPJDPWLHPNLQY-BBRMVZONSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000273450051 192155458 /nfs/dbraw/zinc/15/54/58/192155458.db2.gz YOPJDPWLHPNLQY-BBRMVZONSA-N 2 2 289.379 2.429 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000123270560 187081307 /nfs/dbraw/zinc/08/13/07/187081307.db2.gz YTNBQSGPPSRBKB-OCCSQVGLSA-N 2 2 289.379 2.352 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000123270560 187081308 /nfs/dbraw/zinc/08/13/08/187081308.db2.gz YTNBQSGPPSRBKB-OCCSQVGLSA-N 2 2 289.379 2.352 20 5 CEBDLP C[N@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000093873190 364237187 /nfs/dbraw/zinc/23/71/87/364237187.db2.gz HBCIFEWFVADWMZ-UHFFFAOYSA-N 2 2 257.359 2.073 20 5 CEBDLP C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000093873190 364237193 /nfs/dbraw/zinc/23/71/93/364237193.db2.gz HBCIFEWFVADWMZ-UHFFFAOYSA-N 2 2 257.359 2.073 20 5 CEBDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000173352141 367901417 /nfs/dbraw/zinc/90/14/17/367901417.db2.gz LUGGHAUYIKCKJY-RISCZKNCSA-N 2 2 263.341 2.340 20 5 CEBDLP [NH3+]C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000346670403 368761812 /nfs/dbraw/zinc/76/18/12/368761812.db2.gz USFSIKYJDXEBJP-HWKANZROSA-N 2 2 261.325 2.031 20 5 CEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH2+]C1 ZINC000226436059 370342317 /nfs/dbraw/zinc/34/23/17/370342317.db2.gz DVZSODCHTPEMQH-LBPRGKRZSA-N 2 2 263.341 2.026 20 5 CEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH2+]C1 ZINC000226436059 370342320 /nfs/dbraw/zinc/34/23/20/370342320.db2.gz DVZSODCHTPEMQH-LBPRGKRZSA-N 2 2 263.341 2.026 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000252666932 371464842 /nfs/dbraw/zinc/46/48/42/371464842.db2.gz CZCVJKWBGVOHSG-RYUDHWBXSA-N 2 2 281.381 2.373 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000252666932 371464848 /nfs/dbraw/zinc/46/48/48/371464848.db2.gz CZCVJKWBGVOHSG-RYUDHWBXSA-N 2 2 281.381 2.373 20 5 CEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261778541 371728164 /nfs/dbraw/zinc/72/81/64/371728164.db2.gz PIMLVSPVIQUPFE-WFASDCNBSA-N 2 2 275.352 2.341 20 5 CEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261778541 371728170 /nfs/dbraw/zinc/72/81/70/371728170.db2.gz PIMLVSPVIQUPFE-WFASDCNBSA-N 2 2 275.352 2.341 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)CCc1cccc([N+](=O)[O-])c1 ZINC000282538772 375511567 /nfs/dbraw/zinc/51/15/67/375511567.db2.gz VVDDTXVTMPBSJU-UHFFFAOYSA-N 2 2 288.351 2.356 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cccc([N+](=O)[O-])c1 ZINC000282538772 375511573 /nfs/dbraw/zinc/51/15/73/375511573.db2.gz VVDDTXVTMPBSJU-UHFFFAOYSA-N 2 2 288.351 2.356 20 5 CEBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283036318 375642471 /nfs/dbraw/zinc/64/24/71/375642471.db2.gz IBIAGTAXNKAYRC-LBPRGKRZSA-N 2 2 281.331 2.117 20 5 CEBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283036318 375642473 /nfs/dbraw/zinc/64/24/73/375642473.db2.gz IBIAGTAXNKAYRC-LBPRGKRZSA-N 2 2 281.331 2.117 20 5 CEBDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414807841 375994016 /nfs/dbraw/zinc/99/40/16/375994016.db2.gz DHNVRMSFCIXJRV-LBPRGKRZSA-N 2 2 251.330 2.202 20 5 CEBDLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000422942891 376870603 /nfs/dbraw/zinc/87/06/03/376870603.db2.gz KWSMXZFTVSEVRA-GYSYKLTISA-N 2 2 263.341 2.386 20 5 CEBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043149 376947458 /nfs/dbraw/zinc/94/74/58/376947458.db2.gz NLYCGBZZMCRVAA-MFKMUULPSA-N 2 2 297.786 2.378 20 5 CEBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C1 ZINC000423200202 377115778 /nfs/dbraw/zinc/11/57/78/377115778.db2.gz DUKFMZRABDBGPJ-VXGBXAGGSA-N 2 2 295.408 2.417 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000346997894 218085198 /nfs/dbraw/zinc/08/51/98/218085198.db2.gz DPTYVBSKZWOJMQ-SMDDNHRTSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000346997894 218085199 /nfs/dbraw/zinc/08/51/99/218085199.db2.gz DPTYVBSKZWOJMQ-SMDDNHRTSA-N 2 2 293.367 2.163 20 5 CEBDLP C[NH2+]C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000347022476 218094855 /nfs/dbraw/zinc/09/48/55/218094855.db2.gz OOGUIPAADQPWGY-GQCTYLIASA-N 2 2 275.352 2.292 20 5 CEBDLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000289427765 197342344 /nfs/dbraw/zinc/34/23/44/197342344.db2.gz VIJGCTUWJRSDGV-UHFFFAOYSA-N 2 2 274.324 2.003 20 5 CEBDLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000289427765 197342346 /nfs/dbraw/zinc/34/23/46/197342346.db2.gz VIJGCTUWJRSDGV-UHFFFAOYSA-N 2 2 274.324 2.003 20 5 CEBDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415030091 394854762 /nfs/dbraw/zinc/85/47/62/394854762.db2.gz BUNRFGHTWVVZSU-DYLGSBMWSA-N 2 2 275.352 2.338 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415037436 394858861 /nfs/dbraw/zinc/85/88/61/394858861.db2.gz LCXNZZRHPCOMCM-ZDUSSCGKSA-N 2 2 263.341 2.133 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000423480004 394929102 /nfs/dbraw/zinc/92/91/02/394929102.db2.gz VXBSHJNYJOXZMU-CMPLNLGQSA-N 2 2 281.356 2.381 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427110262 395091844 /nfs/dbraw/zinc/09/18/44/395091844.db2.gz KROUDXPRTWNKPP-SZWGIHMLSA-N 2 2 287.363 2.292 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427110262 395091849 /nfs/dbraw/zinc/09/18/49/395091849.db2.gz KROUDXPRTWNKPP-SZWGIHMLSA-N 2 2 287.363 2.292 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000494406224 395111583 /nfs/dbraw/zinc/11/15/83/395111583.db2.gz PJMJIYGXYAKTCQ-ZDUSSCGKSA-N 2 2 286.335 2.204 20 5 CEBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000420358252 395344159 /nfs/dbraw/zinc/34/41/59/395344159.db2.gz FETDREHUHNAWKM-JTNHKYCSSA-N 2 2 263.341 2.071 20 5 CEBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000071147793 176043863 /nfs/dbraw/zinc/04/38/63/176043863.db2.gz RHHNLSAKHPDKCV-JTQLQIEISA-N 2 2 283.759 2.290 20 5 CEBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000071147793 176043864 /nfs/dbraw/zinc/04/38/64/176043864.db2.gz RHHNLSAKHPDKCV-JTQLQIEISA-N 2 2 283.759 2.290 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000449075953 261150991 /nfs/dbraw/zinc/15/09/91/261150991.db2.gz OGMPXTRVDAROAK-STQMWFEESA-N 2 2 288.351 2.401 20 5 CEBDLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422940783 270804269 /nfs/dbraw/zinc/80/42/69/270804269.db2.gz JAKMRHZDZRBLEN-CHWSQXEVSA-N 2 2 263.341 2.344 20 5 CEBDLP C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000430550699 271388819 /nfs/dbraw/zinc/38/88/19/271388819.db2.gz ZLYYDOVGIHNJHJ-IUODEOHRSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000430550699 271388821 /nfs/dbraw/zinc/38/88/21/271388821.db2.gz ZLYYDOVGIHNJHJ-IUODEOHRSA-N 2 2 293.367 2.033 20 5 CEBDLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000565963202 313843303 /nfs/dbraw/zinc/84/33/03/313843303.db2.gz SESYQMZYYRDJED-SNVBAGLBSA-N 2 2 274.324 2.488 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000925826122 628905726 /nfs/dbraw/zinc/90/57/26/628905726.db2.gz LZAVDKMQHARWRZ-SCRDCRAPSA-N 2 2 293.367 2.012 20 5 CEBDLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903964761 635399037 /nfs/dbraw/zinc/39/90/37/635399037.db2.gz QDZLEJXWAHPGOG-KOLCDFICSA-N 2 2 283.759 2.193 20 5 CEBDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019014 649242851 /nfs/dbraw/zinc/24/28/51/649242851.db2.gz RWMPADMRTAYWAJ-SNVBAGLBSA-N 2 2 278.287 2.281 20 5 CEBDLP C[C@H](CC[NH2+]Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000700488905 809317078 /nfs/dbraw/zinc/31/70/78/809317078.db2.gz LHNUCJYKDIVCLE-LLVKDONJSA-N 2 2 251.330 2.025 20 5 CEBDLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217307 815624804 /nfs/dbraw/zinc/62/48/04/815624804.db2.gz SJGIWHFVMALHFR-CYBMUJFWSA-N 2 2 279.384 2.457 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000037649487 361917493 /nfs/dbraw/zinc/91/74/93/361917493.db2.gz RVNPAMLXFBZYKW-SNVBAGLBSA-N 2 2 281.381 2.230 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000037649487 361917501 /nfs/dbraw/zinc/91/75/01/361917501.db2.gz RVNPAMLXFBZYKW-SNVBAGLBSA-N 2 2 281.381 2.230 20 5 CEBDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602532144 347068877 /nfs/dbraw/zinc/06/88/77/347068877.db2.gz IPEAZOXEVPBHHI-JTQLQIEISA-N 2 2 292.339 2.166 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282893 345237301 /nfs/dbraw/zinc/23/73/01/345237301.db2.gz XOGRTCWQLUQGNZ-CYBMUJFWSA-N 2 2 275.352 2.359 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CCC2 ZINC000591577233 345266153 /nfs/dbraw/zinc/26/61/53/345266153.db2.gz DUKLNABTAXUAQV-OAHLLOKOSA-N 2 2 275.352 2.314 20 5 CEBDLP CCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591580559 345266850 /nfs/dbraw/zinc/26/68/50/345266850.db2.gz AACRBPYGADDXMP-MFKMUULPSA-N 2 2 251.330 2.373 20 5 CEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)[NH3+] ZINC000595899205 345910272 /nfs/dbraw/zinc/91/02/72/345910272.db2.gz QJUVQIKXCHVGAC-JTQLQIEISA-N 2 2 251.330 2.325 20 5 CEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)[NH3+] ZINC000595899205 345910275 /nfs/dbraw/zinc/91/02/75/345910275.db2.gz QJUVQIKXCHVGAC-JTQLQIEISA-N 2 2 251.330 2.325 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122394278 187030324 /nfs/dbraw/zinc/03/03/24/187030324.db2.gz ALVPSIFSKPXPOF-DGCLKSJQSA-N 2 2 293.367 2.176 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122394278 187030325 /nfs/dbraw/zinc/03/03/25/187030325.db2.gz ALVPSIFSKPXPOF-DGCLKSJQSA-N 2 2 293.367 2.176 20 5 CEBDLP COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415050598 236610378 /nfs/dbraw/zinc/61/03/78/236610378.db2.gz ITBLRDOXCASYGI-CYBMUJFWSA-N 2 2 281.356 2.066 20 5 CEBDLP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341340 364268374 /nfs/dbraw/zinc/26/83/74/364268374.db2.gz IGYJNUVUAAOLEV-SKDRFNHKSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341340 364268378 /nfs/dbraw/zinc/26/83/78/364268378.db2.gz IGYJNUVUAAOLEV-SKDRFNHKSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000173352155 367901359 /nfs/dbraw/zinc/90/13/59/367901359.db2.gz LUGGHAUYIKCKJY-SMDDNHRTSA-N 2 2 263.341 2.340 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630957 369965225 /nfs/dbraw/zinc/96/52/25/369965225.db2.gz YNCMPZIXSNVAPN-MELADBBJSA-N 2 2 289.379 2.458 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630957 369965229 /nfs/dbraw/zinc/96/52/29/369965229.db2.gz YNCMPZIXSNVAPN-MELADBBJSA-N 2 2 289.379 2.458 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193630957 369965233 /nfs/dbraw/zinc/96/52/33/369965233.db2.gz YNCMPZIXSNVAPN-MELADBBJSA-N 2 2 289.379 2.458 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193630957 369965237 /nfs/dbraw/zinc/96/52/37/369965237.db2.gz YNCMPZIXSNVAPN-MELADBBJSA-N 2 2 289.379 2.458 20 5 CEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252960586 371491781 /nfs/dbraw/zinc/49/17/81/371491781.db2.gz NKHHACYCKQRJKB-YRGRVCCFSA-N 2 2 293.367 2.012 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261712661 371708321 /nfs/dbraw/zinc/70/83/21/371708321.db2.gz JNTHPABOQKNFSC-ZLDLUXBVSA-N 2 2 275.352 2.340 20 5 CEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261712661 371708328 /nfs/dbraw/zinc/70/83/28/371708328.db2.gz JNTHPABOQKNFSC-ZLDLUXBVSA-N 2 2 275.352 2.340 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000261652840 371694289 /nfs/dbraw/zinc/69/42/89/371694289.db2.gz SNMGCYGXWGXPHY-RISCZKNCSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000261652840 371694293 /nfs/dbraw/zinc/69/42/93/371694293.db2.gz SNMGCYGXWGXPHY-RISCZKNCSA-N 2 2 277.368 2.462 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376729057 374722853 /nfs/dbraw/zinc/72/28/53/374722853.db2.gz NIUISMAEDANNIB-UHFFFAOYSA-N 2 2 286.335 2.417 20 5 CEBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043150 376948536 /nfs/dbraw/zinc/94/85/36/376948536.db2.gz NLYCGBZZMCRVAA-ZWNOBZJWSA-N 2 2 297.786 2.378 20 5 CEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423236258 377155284 /nfs/dbraw/zinc/15/52/84/377155284.db2.gz NVLVRUZHVAIJRK-AAEUAGOBSA-N 2 2 293.367 2.396 20 5 CEBDLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423237731 377156654 /nfs/dbraw/zinc/15/66/54/377156654.db2.gz DRNYUNZLFZHXPD-NSHDSACASA-N 2 2 281.356 2.254 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423327393 377260563 /nfs/dbraw/zinc/26/05/63/377260563.db2.gz RKRJQHZVDRJGQZ-ZWNOBZJWSA-N 2 2 293.367 2.381 20 5 CEBDLP CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430952606 377573516 /nfs/dbraw/zinc/57/35/16/377573516.db2.gz ZLAXRVGMXYFOMK-CYBMUJFWSA-N 2 2 293.367 2.048 20 5 CEBDLP CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430952606 377573526 /nfs/dbraw/zinc/57/35/26/377573526.db2.gz ZLAXRVGMXYFOMK-CYBMUJFWSA-N 2 2 293.367 2.048 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000347025463 218096558 /nfs/dbraw/zinc/09/65/58/218096558.db2.gz SICFDECVVJZDPW-AWEZNQCLSA-N 2 2 263.341 2.216 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000347025463 218096560 /nfs/dbraw/zinc/09/65/60/218096560.db2.gz SICFDECVVJZDPW-AWEZNQCLSA-N 2 2 263.341 2.216 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000347111842 218126529 /nfs/dbraw/zinc/12/65/29/218126529.db2.gz QAFOYUPHDHAEHQ-LBPRGKRZSA-N 2 2 293.367 2.035 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000347111842 218126530 /nfs/dbraw/zinc/12/65/30/218126530.db2.gz QAFOYUPHDHAEHQ-LBPRGKRZSA-N 2 2 293.367 2.035 20 5 CEBDLP C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070984169 394587801 /nfs/dbraw/zinc/58/78/01/394587801.db2.gz GLQDDCVWNXVQIC-BXUZGUMPSA-N 2 2 263.341 2.154 20 5 CEBDLP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070984169 394587803 /nfs/dbraw/zinc/58/78/03/394587803.db2.gz GLQDDCVWNXVQIC-BXUZGUMPSA-N 2 2 263.341 2.154 20 5 CEBDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414836058 394761363 /nfs/dbraw/zinc/76/13/63/394761363.db2.gz HYVGIIXZFBERCB-GFCCVEGCSA-N 2 2 251.330 2.058 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000273450054 394788469 /nfs/dbraw/zinc/78/84/69/394788469.db2.gz YOPJDPWLHPNLQY-XJKSGUPXSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000273450054 394788472 /nfs/dbraw/zinc/78/84/72/394788472.db2.gz YOPJDPWLHPNLQY-XJKSGUPXSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000273450054 394788475 /nfs/dbraw/zinc/78/84/75/394788475.db2.gz YOPJDPWLHPNLQY-XJKSGUPXSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000273450054 394788480 /nfs/dbraw/zinc/78/84/80/394788480.db2.gz YOPJDPWLHPNLQY-XJKSGUPXSA-N 2 2 289.379 2.429 20 5 CEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423366845 394902109 /nfs/dbraw/zinc/90/21/09/394902109.db2.gz QRAYLXLUCPDGMQ-YRGRVCCFSA-N 2 2 277.368 2.113 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494426462 395112827 /nfs/dbraw/zinc/11/28/27/395112827.db2.gz OZPAQFDXAFZEER-ZDUSSCGKSA-N 2 2 286.335 2.204 20 5 CEBDLP C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435608150 395377424 /nfs/dbraw/zinc/37/74/24/395377424.db2.gz QYZYDJCHNOXXGF-LLVKDONJSA-N 2 2 281.331 2.308 20 5 CEBDLP C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435608150 395377430 /nfs/dbraw/zinc/37/74/30/395377430.db2.gz QYZYDJCHNOXXGF-LLVKDONJSA-N 2 2 281.331 2.308 20 5 CEBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000420355525 395342910 /nfs/dbraw/zinc/34/29/10/395342910.db2.gz BYZDODPAWUKGOX-GYSYKLTISA-N 2 2 263.341 2.071 20 5 CEBDLP CC(C)([NH3+])C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000346816878 154301395 /nfs/dbraw/zinc/30/13/95/154301395.db2.gz FCNYOEXEWJSQCB-UHFFFAOYSA-N 2 2 263.341 2.297 20 5 CEBDLP CC(C)([NH3+])C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000346816878 154301392 /nfs/dbraw/zinc/30/13/92/154301392.db2.gz FCNYOEXEWJSQCB-UHFFFAOYSA-N 2 2 263.341 2.297 20 5 CEBDLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017020 270819496 /nfs/dbraw/zinc/81/94/96/270819496.db2.gz NUJQJKYBSOASLB-GMXVVIOVSA-N 2 2 263.341 2.386 20 5 CEBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000424340656 271049574 /nfs/dbraw/zinc/04/95/74/271049574.db2.gz YOFHYTIDRFOCJG-CHWSQXEVSA-N 2 2 267.304 2.093 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430607963 271398865 /nfs/dbraw/zinc/39/88/65/271398865.db2.gz BWMGHOLHTWIWTP-OLZOCXBDSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430607963 271398869 /nfs/dbraw/zinc/39/88/69/271398869.db2.gz BWMGHOLHTWIWTP-OLZOCXBDSA-N 2 2 293.367 2.175 20 5 CEBDLP CC1(C)C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331550244 275862349 /nfs/dbraw/zinc/86/23/49/275862349.db2.gz IHYBRUJFRHKDSH-IINYFYTJSA-N 2 2 275.352 2.269 20 5 CEBDLP COC[C@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423447369 281045718 /nfs/dbraw/zinc/04/57/18/281045718.db2.gz ZPWOYKWGKDQNFJ-SWLSCSKDSA-N 2 2 293.367 2.014 20 5 CEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975029 629407890 /nfs/dbraw/zinc/40/78/90/629407890.db2.gz QQGBQGGSOBPHFD-MWLCHTKSSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975029 629407895 /nfs/dbraw/zinc/40/78/95/629407895.db2.gz QQGBQGGSOBPHFD-MWLCHTKSSA-N 2 2 283.759 2.417 20 5 CEBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070150162 641637225 /nfs/dbraw/zinc/63/72/25/641637225.db2.gz XAYSJIDDGYHFLH-ZDUSSCGKSA-N 2 2 281.331 2.437 20 5 CEBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070150162 641637227 /nfs/dbraw/zinc/63/72/27/641637227.db2.gz XAYSJIDDGYHFLH-ZDUSSCGKSA-N 2 2 281.331 2.437 20 5 CEBDLP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866717524 647879933 /nfs/dbraw/zinc/87/99/33/647879933.db2.gz HIGYTGXTARTYJR-GJZGRUSLSA-N 2 2 289.379 2.477 20 5 CEBDLP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866717524 647879938 /nfs/dbraw/zinc/87/99/38/647879938.db2.gz HIGYTGXTARTYJR-GJZGRUSLSA-N 2 2 289.379 2.477 20 5 CEBDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883442434 652471321 /nfs/dbraw/zinc/47/13/21/652471321.db2.gz LCNQDQUCKKYGTH-VXGBXAGGSA-N 2 2 283.759 2.464 20 5 CEBDLP Cc1[nH+]cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1CC[NH3+] ZINC001173213218 815637076 /nfs/dbraw/zinc/63/70/76/815637076.db2.gz GRKKVOBLVLVKKV-NSHDSACASA-N 2 2 288.351 2.405 20 5 CEBDLP CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122881649 344308040 /nfs/dbraw/zinc/30/80/40/344308040.db2.gz LQKRAFVYMVKLJM-STQMWFEESA-N 2 2 293.367 2.163 20 5 CEBDLP CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122881649 344308041 /nfs/dbraw/zinc/30/80/41/344308041.db2.gz LQKRAFVYMVKLJM-STQMWFEESA-N 2 2 293.367 2.163 20 5 CEBDLP CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000251875136 344638154 /nfs/dbraw/zinc/63/81/54/344638154.db2.gz UTHNSRCAHJMWHV-SMDDNHRTSA-N 2 2 293.367 2.163 20 5 CEBDLP CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000251875136 344638156 /nfs/dbraw/zinc/63/81/56/344638156.db2.gz UTHNSRCAHJMWHV-SMDDNHRTSA-N 2 2 293.367 2.163 20 5 CEBDLP CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000313445272 344742469 /nfs/dbraw/zinc/74/24/69/344742469.db2.gz BDUINTVHMWQDMM-HZMBPMFUSA-N 2 2 281.331 2.293 20 5 CEBDLP CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000313445272 344742473 /nfs/dbraw/zinc/74/24/73/344742473.db2.gz BDUINTVHMWQDMM-HZMBPMFUSA-N 2 2 281.331 2.293 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000592438939 345353245 /nfs/dbraw/zinc/35/32/45/345353245.db2.gz WTXPXJFIVBQSMC-CQSZACIVSA-N 2 2 275.352 2.359 20 5 CEBDLP C[C@H](CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000596429598 346021564 /nfs/dbraw/zinc/02/15/64/346021564.db2.gz IGNLXEUBJCTLSN-LLVKDONJSA-N 2 2 288.351 2.317 20 5 CEBDLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596654350 346072908 /nfs/dbraw/zinc/07/29/08/346072908.db2.gz JRAKSPJYSNFGMM-QMTHXVAHSA-N 2 2 263.341 2.170 20 5 CEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072857739 363171376 /nfs/dbraw/zinc/17/13/76/363171376.db2.gz ZTFBKUDGRRNPEW-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072857739 363171378 /nfs/dbraw/zinc/17/13/78/363171378.db2.gz ZTFBKUDGRRNPEW-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072857739 363171379 /nfs/dbraw/zinc/17/13/79/363171379.db2.gz ZTFBKUDGRRNPEW-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072857739 363171381 /nfs/dbraw/zinc/17/13/81/363171381.db2.gz ZTFBKUDGRRNPEW-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP CC(C)([NH2+]CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000292264896 198223511 /nfs/dbraw/zinc/22/35/11/198223511.db2.gz ZAGWSLCVEVORSE-UHFFFAOYSA-N 2 2 274.324 2.316 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414786358 236478993 /nfs/dbraw/zinc/47/89/93/236478993.db2.gz AUPFVYLBHKRAMX-CYBMUJFWSA-N 2 2 281.356 2.066 20 5 CEBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1 ZINC000118843747 365185417 /nfs/dbraw/zinc/18/54/17/365185417.db2.gz RQZONTHESJETHH-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1 ZINC000118843747 365185419 /nfs/dbraw/zinc/18/54/19/365185419.db2.gz RQZONTHESJETHH-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP C[NH+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843747 365185420 /nfs/dbraw/zinc/18/54/20/365185420.db2.gz RQZONTHESJETHH-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP C[NH+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843747 365185424 /nfs/dbraw/zinc/18/54/24/365185424.db2.gz RQZONTHESJETHH-AWEZNQCLSA-N 2 2 277.368 2.368 20 5 CEBDLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346319368 368634613 /nfs/dbraw/zinc/63/46/13/368634613.db2.gz XLAZWYBRGNVGKC-UHFFFAOYSA-N 2 2 286.335 2.158 20 5 CEBDLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346319368 368634616 /nfs/dbraw/zinc/63/46/16/368634616.db2.gz XLAZWYBRGNVGKC-UHFFFAOYSA-N 2 2 286.335 2.158 20 5 CEBDLP C[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255598050 371594851 /nfs/dbraw/zinc/59/48/51/371594851.db2.gz ZMXGCZLHAXPUHH-VSKVDJIOSA-N 2 2 289.379 2.492 20 5 CEBDLP C[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255598050 371594856 /nfs/dbraw/zinc/59/48/56/371594856.db2.gz ZMXGCZLHAXPUHH-VSKVDJIOSA-N 2 2 289.379 2.492 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000314145441 376764172 /nfs/dbraw/zinc/76/41/72/376764172.db2.gz KEALKHBPXXBKIX-CHWSQXEVSA-N 2 2 293.342 2.450 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000314145441 376764177 /nfs/dbraw/zinc/76/41/77/376764177.db2.gz KEALKHBPXXBKIX-CHWSQXEVSA-N 2 2 293.342 2.450 20 5 CEBDLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422940785 376869061 /nfs/dbraw/zinc/86/90/61/376869061.db2.gz JAKMRHZDZRBLEN-QWHCGFSZSA-N 2 2 263.341 2.344 20 5 CEBDLP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423200266 377115506 /nfs/dbraw/zinc/11/55/06/377115506.db2.gz FEVQSHTWAALCCF-OCCSQVGLSA-N 2 2 263.341 2.388 20 5 CEBDLP CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430952607 377572878 /nfs/dbraw/zinc/57/28/78/377572878.db2.gz ZLAXRVGMXYFOMK-ZDUSSCGKSA-N 2 2 293.367 2.048 20 5 CEBDLP CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430952607 377572885 /nfs/dbraw/zinc/57/28/85/377572885.db2.gz ZLAXRVGMXYFOMK-ZDUSSCGKSA-N 2 2 293.367 2.048 20 5 CEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000515483317 379223822 /nfs/dbraw/zinc/22/38/22/379223822.db2.gz KVZIDGCSMICWSH-LBPRGKRZSA-N 2 2 275.352 2.484 20 5 CEBDLP C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000237549664 131040761 /nfs/dbraw/zinc/04/07/61/131040761.db2.gz SXOAQRDDTYIGMA-GFCCVEGCSA-N 2 2 274.324 2.217 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414959369 394825884 /nfs/dbraw/zinc/82/58/84/394825884.db2.gz SYTQQWBAWTTWHF-FZMZJTMJSA-N 2 2 263.341 2.133 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000414952799 394821734 /nfs/dbraw/zinc/82/17/34/394821734.db2.gz QZGDPOFYQMBXNU-MWLCHTKSSA-N 2 2 283.759 2.478 20 5 CEBDLP CCC[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423359190 394899829 /nfs/dbraw/zinc/89/98/29/394899829.db2.gz CVOZLGBGILDBBE-GWCFXTLKSA-N 2 2 251.330 2.373 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215759 395082448 /nfs/dbraw/zinc/08/24/48/395082448.db2.gz UNMPYLKTFWLCNF-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215759 395082454 /nfs/dbraw/zinc/08/24/54/395082454.db2.gz UNMPYLKTFWLCNF-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623490 395165138 /nfs/dbraw/zinc/16/51/38/395165138.db2.gz GXHSSCFCRWXUCK-SWLSCSKDSA-N 2 2 293.367 2.175 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623490 395165142 /nfs/dbraw/zinc/16/51/42/395165142.db2.gz GXHSSCFCRWXUCK-SWLSCSKDSA-N 2 2 293.367 2.175 20 5 CEBDLP Cc1c(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000420371768 395359207 /nfs/dbraw/zinc/35/92/07/395359207.db2.gz PRDOZRSADNQHGF-IFUGULHKSA-N 2 2 277.368 2.379 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[NH+]1CCC1 ZINC000568648141 395565109 /nfs/dbraw/zinc/56/51/09/395565109.db2.gz UJABAYGGMADFRW-UHFFFAOYSA-N 2 2 293.367 2.179 20 5 CEBDLP Cc1c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000572827043 395588943 /nfs/dbraw/zinc/58/89/43/395588943.db2.gz REITWTRUGHRLNC-MRXNPFEDSA-N 2 2 289.379 2.479 20 5 CEBDLP Cc1c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000572827043 395588945 /nfs/dbraw/zinc/58/89/45/395588945.db2.gz REITWTRUGHRLNC-MRXNPFEDSA-N 2 2 289.379 2.479 20 5 CEBDLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000163843115 286308140 /nfs/dbraw/zinc/30/81/40/286308140.db2.gz YQWNWUMIRDLTGV-AAEUAGOBSA-N 2 2 293.367 2.020 20 5 CEBDLP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000163843115 286308142 /nfs/dbraw/zinc/30/81/42/286308142.db2.gz YQWNWUMIRDLTGV-AAEUAGOBSA-N 2 2 293.367 2.020 20 5 CEBDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000430575118 271392755 /nfs/dbraw/zinc/39/27/55/271392755.db2.gz JVGDACDOYGPGPJ-ZDUSSCGKSA-N 2 2 269.320 2.197 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000516173660 313083077 /nfs/dbraw/zinc/08/30/77/313083077.db2.gz VFTHZOXZZRDKNO-LBPRGKRZSA-N 2 2 275.352 2.484 20 5 CEBDLP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000902404919 634640505 /nfs/dbraw/zinc/64/05/05/634640505.db2.gz HAOXBURKYCQARC-ZDUSSCGKSA-N 2 2 261.325 2.053 20 5 CEBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000904449121 635640969 /nfs/dbraw/zinc/64/09/69/635640969.db2.gz FBQZJPGIXNLKRD-UHFFFAOYSA-N 2 2 287.319 2.436 20 5 CEBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841076724 639647436 /nfs/dbraw/zinc/64/74/36/639647436.db2.gz NCFUFQNGFBSQHJ-HTQZYQBOSA-N 2 2 257.721 2.074 20 5 CEBDLP CC(C)[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169054282 811358616 /nfs/dbraw/zinc/35/86/16/811358616.db2.gz LLIVJFWEGPSBHL-DZGCQCFKSA-N 2 2 283.416 2.236 20 5 CEBDLP CC(C)[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169054282 811358622 /nfs/dbraw/zinc/35/86/22/811358622.db2.gz LLIVJFWEGPSBHL-DZGCQCFKSA-N 2 2 283.416 2.236 20 5 CEBDLP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000034994708 361802926 /nfs/dbraw/zinc/80/29/26/361802926.db2.gz BIYFPDINTVCNDD-UHFFFAOYSA-N 2 2 274.324 2.280 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000592493890 345360242 /nfs/dbraw/zinc/36/02/42/345360242.db2.gz HNRAQRKPABBUTG-GFCCVEGCSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000592493890 345360245 /nfs/dbraw/zinc/36/02/45/345360245.db2.gz HNRAQRKPABBUTG-GFCCVEGCSA-N 2 2 275.352 2.169 20 5 CEBDLP [NH3+]C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000593727720 345528737 /nfs/dbraw/zinc/52/87/37/345528737.db2.gz RDQBCJCPEDVQHY-CQSZACIVSA-N 2 2 293.367 2.298 20 5 CEBDLP C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000060390881 362660270 /nfs/dbraw/zinc/66/02/70/362660270.db2.gz JEODFZZQVSKOQZ-LLVKDONJSA-N 2 2 283.397 2.478 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000336838600 365910392 /nfs/dbraw/zinc/91/03/92/365910392.db2.gz NHKSQBKNVQHLIE-ZYHUDNBSSA-N 2 2 281.331 2.306 20 5 CEBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000336838600 365910400 /nfs/dbraw/zinc/91/04/00/365910400.db2.gz NHKSQBKNVQHLIE-ZYHUDNBSSA-N 2 2 281.331 2.306 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000122421085 187031273 /nfs/dbraw/zinc/03/12/73/187031273.db2.gz VIDSNXZHOPATRX-FZMZJTMJSA-N 2 2 293.367 2.033 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000122421085 187031274 /nfs/dbraw/zinc/03/12/74/187031274.db2.gz VIDSNXZHOPATRX-FZMZJTMJSA-N 2 2 293.367 2.033 20 5 CEBDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089511973 363975105 /nfs/dbraw/zinc/97/51/05/363975105.db2.gz UJSUACSTYSRIIE-OCCSQVGLSA-N 2 2 277.368 2.415 20 5 CEBDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089511973 363975108 /nfs/dbraw/zinc/97/51/08/363975108.db2.gz UJSUACSTYSRIIE-OCCSQVGLSA-N 2 2 277.368 2.415 20 5 CEBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902987 369942980 /nfs/dbraw/zinc/94/29/80/369942980.db2.gz ODCVLABKDNKFCQ-MLGOLLRUSA-N 2 2 289.379 2.210 20 5 CEBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902987 369942983 /nfs/dbraw/zinc/94/29/83/369942983.db2.gz ODCVLABKDNKFCQ-MLGOLLRUSA-N 2 2 289.379 2.210 20 5 CEBDLP Cc1c(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358303208 371003776 /nfs/dbraw/zinc/00/37/76/371003776.db2.gz AVDANHJGBWNWBP-IAQYHMDHSA-N 2 2 289.379 2.476 20 5 CEBDLP Cc1c(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358303208 371003778 /nfs/dbraw/zinc/00/37/78/371003778.db2.gz AVDANHJGBWNWBP-IAQYHMDHSA-N 2 2 289.379 2.476 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715342 371472186 /nfs/dbraw/zinc/47/21/86/371472186.db2.gz VIDSNXZHOPATRX-BXUZGUMPSA-N 2 2 293.367 2.033 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715342 371472188 /nfs/dbraw/zinc/47/21/88/371472188.db2.gz VIDSNXZHOPATRX-BXUZGUMPSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644123 371690659 /nfs/dbraw/zinc/69/06/59/371690659.db2.gz CQEOPOHMBBPQQP-QWRGUYRKSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644123 371690661 /nfs/dbraw/zinc/69/06/61/371690661.db2.gz CQEOPOHMBBPQQP-QWRGUYRKSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000268852207 372255174 /nfs/dbraw/zinc/25/51/74/372255174.db2.gz HMKLHTFRUBUWHI-SWLSCSKDSA-N 2 2 291.395 2.456 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423269701 377188925 /nfs/dbraw/zinc/18/89/25/377188925.db2.gz FTNILFLBFWISRW-GXFFZTMASA-N 2 2 263.341 2.291 20 5 CEBDLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270461 377189330 /nfs/dbraw/zinc/18/93/30/377189330.db2.gz WTZROEROJMLDLQ-ZWNOBZJWSA-N 2 2 251.330 2.229 20 5 CEBDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414840333 394764902 /nfs/dbraw/zinc/76/49/02/394764902.db2.gz NBLACOLNINNYAQ-SECBINFHSA-N 2 2 271.748 2.193 20 5 CEBDLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414945723 394816359 /nfs/dbraw/zinc/81/63/59/394816359.db2.gz RYXBRMWVYAULTD-RNCFNFMXSA-N 2 2 283.759 2.336 20 5 CEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414970117 394831831 /nfs/dbraw/zinc/83/18/31/394831831.db2.gz JYZVTKDYCQOWHT-CYBMUJFWSA-N 2 2 281.331 2.212 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423445251 394923210 /nfs/dbraw/zinc/92/32/10/394923210.db2.gz MNAGLRZVUSRCFW-AXFHLTTASA-N 2 2 251.330 2.290 20 5 CEBDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000340104640 394977903 /nfs/dbraw/zinc/97/79/03/394977903.db2.gz JDLXJKMTVSUNQQ-IUODEOHRSA-N 2 2 277.368 2.067 20 5 CEBDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000340104640 394977907 /nfs/dbraw/zinc/97/79/07/394977907.db2.gz JDLXJKMTVSUNQQ-IUODEOHRSA-N 2 2 277.368 2.067 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000332197871 275038169 /nfs/dbraw/zinc/03/81/69/275038169.db2.gz DZPSAJKIBBIBNI-WFASDCNBSA-N 2 2 275.352 2.314 20 5 CEBDLP C[NH2+]C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347151337 277286269 /nfs/dbraw/zinc/28/62/69/277286269.db2.gz BDGRJNVYRGFWGH-DIECRNLCSA-N 2 2 275.352 2.149 20 5 CEBDLP C[NH2+]C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347151337 277286270 /nfs/dbraw/zinc/28/62/70/277286270.db2.gz BDGRJNVYRGFWGH-DIECRNLCSA-N 2 2 275.352 2.149 20 5 CEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925826124 628905953 /nfs/dbraw/zinc/90/59/53/628905953.db2.gz LZAVDKMQHARWRZ-YRGRVCCFSA-N 2 2 293.367 2.012 20 5 CEBDLP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000903988435 635406424 /nfs/dbraw/zinc/40/64/24/635406424.db2.gz RGQWJRXJHNTTEC-WPRPVWTQSA-N 2 2 273.283 2.228 20 5 CEBDLP Cc1c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739649 650882891 /nfs/dbraw/zinc/88/28/91/650882891.db2.gz PKWBIRBJBDJJRI-GDBMZVCRSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739649 650882893 /nfs/dbraw/zinc/88/28/93/650882893.db2.gz PKWBIRBJBDJJRI-GDBMZVCRSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739649 650882896 /nfs/dbraw/zinc/88/28/96/650882896.db2.gz PKWBIRBJBDJJRI-GDBMZVCRSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739649 650882899 /nfs/dbraw/zinc/88/28/99/650882899.db2.gz PKWBIRBJBDJJRI-GDBMZVCRSA-N 2 2 289.379 2.429 20 5 CEBDLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000873228751 649599741 /nfs/dbraw/zinc/59/97/41/649599741.db2.gz VALZXPITUFOOLA-CQPIPWFBSA-N 2 2 287.363 2.149 20 5 CEBDLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000873228751 649599744 /nfs/dbraw/zinc/59/97/44/649599744.db2.gz VALZXPITUFOOLA-CQPIPWFBSA-N 2 2 287.363 2.149 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)CCc1ccc([N+](=O)[O-])cc1 ZINC000124327938 187132703 /nfs/dbraw/zinc/13/27/03/187132703.db2.gz AQJCSVWMFDYQCM-UHFFFAOYSA-N 2 2 288.351 2.356 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ccc([N+](=O)[O-])cc1 ZINC000124327938 187132704 /nfs/dbraw/zinc/13/27/04/187132704.db2.gz AQJCSVWMFDYQCM-UHFFFAOYSA-N 2 2 288.351 2.356 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591579936 345266867 /nfs/dbraw/zinc/26/68/67/345266867.db2.gz ANGZKXFEHYRMIG-DRZSPHRISA-N 2 2 281.331 2.254 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000595010878 345725978 /nfs/dbraw/zinc/72/59/78/345725978.db2.gz ZNPDQBYWIQBYLE-YPMHNXCESA-N 2 2 293.367 2.348 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000595010878 345725981 /nfs/dbraw/zinc/72/59/81/345725981.db2.gz ZNPDQBYWIQBYLE-YPMHNXCESA-N 2 2 293.367 2.348 20 5 CEBDLP C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000060942152 362672563 /nfs/dbraw/zinc/67/25/63/362672563.db2.gz CYPDPCXDBKHDKY-CYBMUJFWSA-N 2 2 277.368 2.416 20 5 CEBDLP C[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600677177 346671931 /nfs/dbraw/zinc/67/19/31/346671931.db2.gz AZRAJBZLNBJZNA-FAQJLRJSSA-N 2 2 275.352 2.338 20 5 CEBDLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000600712907 346675777 /nfs/dbraw/zinc/67/57/77/346675777.db2.gz CSURMEHXDBIZRP-GMXVVIOVSA-N 2 2 263.341 2.304 20 5 CEBDLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000568783104 299153865 /nfs/dbraw/zinc/15/38/65/299153865.db2.gz MKQNWIRLFRVYPU-JTQLQIEISA-N 2 2 274.324 2.488 20 5 CEBDLP Cc1c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000400339386 233176579 /nfs/dbraw/zinc/17/65/79/233176579.db2.gz GITLJDFOKVPLOZ-AAEUAGOBSA-N 2 2 263.341 2.133 20 5 CEBDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292103398 198163931 /nfs/dbraw/zinc/16/39/31/198163931.db2.gz IEJZXPNMIDEFSC-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292103398 198163933 /nfs/dbraw/zinc/16/39/33/198163933.db2.gz IEJZXPNMIDEFSC-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292103398 198163934 /nfs/dbraw/zinc/16/39/34/198163934.db2.gz IEJZXPNMIDEFSC-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292103398 198163936 /nfs/dbraw/zinc/16/39/36/198163936.db2.gz IEJZXPNMIDEFSC-HNNXBMFYSA-N 2 2 275.352 2.122 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253297 367227779 /nfs/dbraw/zinc/22/77/79/367227779.db2.gz WDYJKWVEWNLFFO-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253297 367227783 /nfs/dbraw/zinc/22/77/83/367227783.db2.gz WDYJKWVEWNLFFO-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000414790586 375973316 /nfs/dbraw/zinc/97/33/16/375973316.db2.gz POGWUVDCXZTXHV-QPJJXVBHSA-N 2 2 275.352 2.421 20 5 CEBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000414790586 375973319 /nfs/dbraw/zinc/97/33/19/375973319.db2.gz POGWUVDCXZTXHV-QPJJXVBHSA-N 2 2 275.352 2.421 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCC2 ZINC000423245886 377166328 /nfs/dbraw/zinc/16/63/28/377166328.db2.gz YXGLDKCDBUFBFR-SWLSCSKDSA-N 2 2 275.352 2.314 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000567589091 377846293 /nfs/dbraw/zinc/84/62/93/377846293.db2.gz WKECIAIVBOZPIP-OICCZTGUSA-N 2 2 287.363 2.293 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000567589091 377846298 /nfs/dbraw/zinc/84/62/98/377846298.db2.gz WKECIAIVBOZPIP-OICCZTGUSA-N 2 2 287.363 2.293 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347122616 218129155 /nfs/dbraw/zinc/12/91/55/218129155.db2.gz WISDEAGECRGNIJ-LBPRGKRZSA-N 2 2 293.367 2.164 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347122616 218129156 /nfs/dbraw/zinc/12/91/56/218129156.db2.gz WISDEAGECRGNIJ-LBPRGKRZSA-N 2 2 293.367 2.164 20 5 CEBDLP [NH3+][C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414883860 394788326 /nfs/dbraw/zinc/78/83/26/394788326.db2.gz DSJQCQGMDWLJMT-LBPRGKRZSA-N 2 2 269.732 2.075 20 5 CEBDLP COCC[NH2+]CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414886520 394789630 /nfs/dbraw/zinc/78/96/30/394789630.db2.gz PQLYWZFLNHHADE-UHFFFAOYSA-N 2 2 295.383 2.044 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420394979 395369044 /nfs/dbraw/zinc/36/90/44/395369044.db2.gz SNYBWXXODTWIJX-OCCSQVGLSA-N 2 2 293.367 2.014 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420394979 395369050 /nfs/dbraw/zinc/36/90/50/395369050.db2.gz SNYBWXXODTWIJX-OCCSQVGLSA-N 2 2 293.367 2.014 20 5 CEBDLP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)[NH3+] ZINC000442659964 395389967 /nfs/dbraw/zinc/38/99/67/395389967.db2.gz CHFKNDPBEROIOI-LLVKDONJSA-N 2 2 251.330 2.152 20 5 CEBDLP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)[NH3+] ZINC000442659964 395389973 /nfs/dbraw/zinc/38/99/73/395389973.db2.gz CHFKNDPBEROIOI-LLVKDONJSA-N 2 2 251.330 2.152 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000566230393 395506889 /nfs/dbraw/zinc/50/68/89/395506889.db2.gz MGHCZJGTFOVPGD-OAHLLOKOSA-N 2 2 293.342 2.309 20 5 CEBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000566230393 395506893 /nfs/dbraw/zinc/50/68/93/395506893.db2.gz MGHCZJGTFOVPGD-OAHLLOKOSA-N 2 2 293.342 2.309 20 5 CEBDLP CC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037487136 173230300 /nfs/dbraw/zinc/23/03/00/173230300.db2.gz BDENZRXUGLKJEE-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000430542577 271386914 /nfs/dbraw/zinc/38/69/14/271386914.db2.gz KXPATGYQJNIKND-OCCSQVGLSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000430542577 271386919 /nfs/dbraw/zinc/38/69/19/271386919.db2.gz KXPATGYQJNIKND-OCCSQVGLSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000566091315 313849610 /nfs/dbraw/zinc/84/96/10/313849610.db2.gz XBYJPDRWLZBURL-SWLSCSKDSA-N 2 2 293.367 2.094 20 5 CEBDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000049554407 524165287 /nfs/dbraw/zinc/16/52/87/524165287.db2.gz YVDRJXHJSLDGSO-SECBINFHSA-N 2 2 257.359 2.086 20 5 CEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000866242661 647690437 /nfs/dbraw/zinc/69/04/37/647690437.db2.gz QJVLPKJOFYJZIL-RISCZKNCSA-N 2 2 295.358 2.349 20 5 CEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000866242661 647690440 /nfs/dbraw/zinc/69/04/40/647690440.db2.gz QJVLPKJOFYJZIL-RISCZKNCSA-N 2 2 295.358 2.349 20 5 CEBDLP CC[NH+]1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000037977179 361969487 /nfs/dbraw/zinc/96/94/87/361969487.db2.gz KSYJCOYCXUVQIA-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000041118895 362019834 /nfs/dbraw/zinc/01/98/34/362019834.db2.gz PKYTZQKBHBKSTR-NSHDSACASA-N 2 2 260.297 2.142 20 5 CEBDLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577850 345265847 /nfs/dbraw/zinc/26/58/47/345265847.db2.gz IWIASBHJNNYHDC-AAEUAGOBSA-N 2 2 263.341 2.388 20 5 CEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000595006136 345724569 /nfs/dbraw/zinc/72/45/69/345724569.db2.gz HZPXNWPFXYNSHL-LLVKDONJSA-N 2 2 281.356 2.206 20 5 CEBDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000596654007 346072981 /nfs/dbraw/zinc/07/29/81/346072981.db2.gz NJMRREUFFALWLC-KOLCDFICSA-N 2 2 251.330 2.162 20 5 CEBDLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596655294 346073009 /nfs/dbraw/zinc/07/30/09/346073009.db2.gz UJXNIFKSBXUSEI-WPBUFGDCSA-N 2 2 275.352 2.388 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000336838598 365910757 /nfs/dbraw/zinc/91/07/57/365910757.db2.gz NHKSQBKNVQHLIE-PWSUYJOCSA-N 2 2 281.331 2.306 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000336838598 365910760 /nfs/dbraw/zinc/91/07/60/365910760.db2.gz NHKSQBKNVQHLIE-PWSUYJOCSA-N 2 2 281.331 2.306 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720467 180030874 /nfs/dbraw/zinc/03/08/74/180030874.db2.gz XUFGGAHQBXCYFY-KOLCDFICSA-N 2 2 269.370 2.229 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000090720467 180030875 /nfs/dbraw/zinc/03/08/75/180030875.db2.gz XUFGGAHQBXCYFY-KOLCDFICSA-N 2 2 269.370 2.229 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000111158493 186363108 /nfs/dbraw/zinc/36/31/08/186363108.db2.gz CZCVJKWBGVOHSG-VXGBXAGGSA-N 2 2 281.381 2.373 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000111158493 186363110 /nfs/dbraw/zinc/36/31/10/186363110.db2.gz CZCVJKWBGVOHSG-VXGBXAGGSA-N 2 2 281.381 2.373 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149972 363038844 /nfs/dbraw/zinc/03/88/44/363038844.db2.gz LSCYOLXIASAOLM-ZDUSSCGKSA-N 2 2 293.367 2.307 20 5 CEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149972 363038848 /nfs/dbraw/zinc/03/88/48/363038848.db2.gz LSCYOLXIASAOLM-ZDUSSCGKSA-N 2 2 293.367 2.307 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000122318792 187026264 /nfs/dbraw/zinc/02/62/64/187026264.db2.gz VIRKPLISKMVXNQ-DGCLKSJQSA-N 2 2 275.352 2.310 20 5 CEBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000122318792 187026265 /nfs/dbraw/zinc/02/62/65/187026265.db2.gz VIRKPLISKMVXNQ-DGCLKSJQSA-N 2 2 275.352 2.310 20 5 CEBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072858094 363171327 /nfs/dbraw/zinc/17/13/27/363171327.db2.gz VRAQVXYPDYMLQT-CYBMUJFWSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072858094 363171332 /nfs/dbraw/zinc/17/13/32/363171332.db2.gz VRAQVXYPDYMLQT-CYBMUJFWSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072858094 363171336 /nfs/dbraw/zinc/17/13/36/363171336.db2.gz VRAQVXYPDYMLQT-CYBMUJFWSA-N 2 2 277.368 2.368 20 5 CEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072858094 363171340 /nfs/dbraw/zinc/17/13/40/363171340.db2.gz VRAQVXYPDYMLQT-CYBMUJFWSA-N 2 2 277.368 2.368 20 5 CEBDLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000582677946 366944356 /nfs/dbraw/zinc/94/43/56/366944356.db2.gz XWPOJYMFACGCBL-UHFFFAOYSA-N 2 2 289.379 2.341 20 5 CEBDLP [NH3+]CC12CCC(CC1)C[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000582677946 366944364 /nfs/dbraw/zinc/94/43/64/366944364.db2.gz XWPOJYMFACGCBL-UHFFFAOYSA-N 2 2 289.379 2.341 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009148 370868379 /nfs/dbraw/zinc/86/83/79/370868379.db2.gz CCCMGOBMTSEDBQ-MJVIPROJSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009148 370868385 /nfs/dbraw/zinc/86/83/85/370868385.db2.gz CCCMGOBMTSEDBQ-MJVIPROJSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261564609 371650723 /nfs/dbraw/zinc/65/07/23/371650723.db2.gz DEOWVGORPWJGTO-RISCZKNCSA-N 2 2 263.341 2.154 20 5 CEBDLP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261564609 371650728 /nfs/dbraw/zinc/65/07/28/371650728.db2.gz DEOWVGORPWJGTO-RISCZKNCSA-N 2 2 263.341 2.154 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000377769544 374947476 /nfs/dbraw/zinc/94/74/76/374947476.db2.gz ANYHYGAWDDKNMX-LBPRGKRZSA-N 2 2 286.335 2.273 20 5 CEBDLP Cc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000377769544 374947483 /nfs/dbraw/zinc/94/74/83/374947483.db2.gz ANYHYGAWDDKNMX-LBPRGKRZSA-N 2 2 286.335 2.273 20 5 CEBDLP CCCC[C@H](C[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414818129 376004557 /nfs/dbraw/zinc/00/45/57/376004557.db2.gz UUWJOZXCWFTLGJ-SNVBAGLBSA-N 2 2 257.359 2.263 20 5 CEBDLP CC(C)c1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347117356 218128523 /nfs/dbraw/zinc/12/85/23/218128523.db2.gz UKSKXHRBUDKANK-LLVKDONJSA-N 2 2 265.357 2.497 20 5 CEBDLP CC(C)c1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347117356 218128525 /nfs/dbraw/zinc/12/85/25/218128525.db2.gz UKSKXHRBUDKANK-LLVKDONJSA-N 2 2 265.357 2.497 20 5 CEBDLP CC1(C)C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331550241 394631860 /nfs/dbraw/zinc/63/18/60/394631860.db2.gz IHYBRUJFRHKDSH-HZMBPMFUSA-N 2 2 275.352 2.269 20 5 CEBDLP [NH3+]C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000415063911 394870747 /nfs/dbraw/zinc/87/07/47/394870747.db2.gz JBAVOXMXXAWOGZ-AWEZNQCLSA-N 2 2 281.331 2.341 20 5 CEBDLP [NH3+]C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000415063672 394871196 /nfs/dbraw/zinc/87/11/96/394871196.db2.gz IQPYYRMIAJWEKG-LLVKDONJSA-N 2 2 269.370 2.263 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000415040941 394859802 /nfs/dbraw/zinc/85/98/02/394859802.db2.gz OUDMBCYYGQSWDY-CYBMUJFWSA-N 2 2 263.341 2.133 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427132212 395093384 /nfs/dbraw/zinc/09/33/84/395093384.db2.gz ANGCNMZMWCDNCV-UONOGXRCSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427132212 395093386 /nfs/dbraw/zinc/09/33/86/395093386.db2.gz ANGCNMZMWCDNCV-UONOGXRCSA-N 2 2 275.352 2.087 20 5 CEBDLP C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000261580835 153772252 /nfs/dbraw/zinc/77/22/52/153772252.db2.gz FPIOMFJPGDYLNH-LLVKDONJSA-N 2 2 263.341 2.340 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000040600055 174350281 /nfs/dbraw/zinc/35/02/81/174350281.db2.gz WJMIHHBKRUSACL-LBPRGKRZSA-N 2 2 293.367 2.035 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000040600055 174350282 /nfs/dbraw/zinc/35/02/82/174350282.db2.gz WJMIHHBKRUSACL-LBPRGKRZSA-N 2 2 293.367 2.035 20 5 CEBDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272628124 277146033 /nfs/dbraw/zinc/14/60/33/277146033.db2.gz MRUUXRLFSBWQPV-IUODEOHRSA-N 2 2 275.352 2.121 20 5 CEBDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272628124 277146034 /nfs/dbraw/zinc/14/60/34/277146034.db2.gz MRUUXRLFSBWQPV-IUODEOHRSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272628124 277146035 /nfs/dbraw/zinc/14/60/35/277146035.db2.gz MRUUXRLFSBWQPV-IUODEOHRSA-N 2 2 275.352 2.121 20 5 CEBDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272628124 277146036 /nfs/dbraw/zinc/14/60/36/277146036.db2.gz MRUUXRLFSBWQPV-IUODEOHRSA-N 2 2 275.352 2.121 20 5 CEBDLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423464549 281048050 /nfs/dbraw/zinc/04/80/50/281048050.db2.gz MEPFDYWAFMFWPE-JQWIXIFHSA-N 2 2 251.330 2.291 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000570174906 314029734 /nfs/dbraw/zinc/02/97/34/314029734.db2.gz GRYDHQJPHUYMCQ-RISCZKNCSA-N 2 2 298.346 2.383 20 5 CEBDLP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163898190 524508789 /nfs/dbraw/zinc/50/87/89/524508789.db2.gz RFINJYMKXDAPMK-PWSUYJOCSA-N 2 2 281.331 2.151 20 5 CEBDLP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163898190 524508792 /nfs/dbraw/zinc/50/87/92/524508792.db2.gz RFINJYMKXDAPMK-PWSUYJOCSA-N 2 2 281.331 2.151 20 5 CEBDLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962254 633804924 /nfs/dbraw/zinc/80/49/24/633804924.db2.gz KAAKUVNEKWSKSK-PWSUYJOCSA-N 2 2 280.372 2.345 20 5 CEBDLP C[NH2+]CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102960 639672623 /nfs/dbraw/zinc/67/26/23/639672623.db2.gz DPSWQPGURQGFFW-UHFFFAOYSA-N 2 2 271.748 2.290 20 5 CEBDLP C[NH2+]CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102960 639672675 /nfs/dbraw/zinc/67/26/75/639672675.db2.gz DPSWQPGURQGFFW-UHFFFAOYSA-N 2 2 271.748 2.290 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056864 640258616 /nfs/dbraw/zinc/25/86/16/640258616.db2.gz BDFILDLRQIBZMD-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056864 640258619 /nfs/dbraw/zinc/25/86/19/640258619.db2.gz BDFILDLRQIBZMD-VHSXEESVSA-N 2 2 283.759 2.417 20 5 CEBDLP CC[N+](C)(C)Cc1ccccc1NC[C@@H]1COCC[N@@H+]1C ZINC001169653758 811607403 /nfs/dbraw/zinc/60/74/03/811607403.db2.gz KVWVOAHIKYPZQU-MRXNPFEDSA-N 2 2 292.447 2.025 20 5 CEBDLP CC[N+](C)(C)Cc1ccccc1NC[C@@H]1COCC[N@H+]1C ZINC001169653758 811607406 /nfs/dbraw/zinc/60/74/06/811607406.db2.gz KVWVOAHIKYPZQU-MRXNPFEDSA-N 2 2 292.447 2.025 20 5 CEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000124425694 187137298 /nfs/dbraw/zinc/13/72/98/187137298.db2.gz VNNZDAMOVYOQNJ-UHFFFAOYSA-N 2 2 274.324 2.313 20 5 CEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000124425694 187137299 /nfs/dbraw/zinc/13/72/99/187137299.db2.gz VNNZDAMOVYOQNJ-UHFFFAOYSA-N 2 2 274.324 2.313 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000601324119 346820605 /nfs/dbraw/zinc/82/06/05/346820605.db2.gz JIXUILUPCLBFHF-ZDUSSCGKSA-N 2 2 293.367 2.177 20 5 CEBDLP [NH3+][C@H]1CCCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000601324119 346820607 /nfs/dbraw/zinc/82/06/07/346820607.db2.gz JIXUILUPCLBFHF-ZDUSSCGKSA-N 2 2 293.367 2.177 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275623 345236579 /nfs/dbraw/zinc/23/65/79/345236579.db2.gz LGXGRHIAOSHVPB-BRLPQQTGSA-N 2 2 275.352 2.340 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cs1 ZINC000591282602 345237146 /nfs/dbraw/zinc/23/71/46/345237146.db2.gz CJFPCHAJPZGLOD-LLVKDONJSA-N 2 2 281.381 2.421 20 5 CEBDLP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000592437243 345353353 /nfs/dbraw/zinc/35/33/53/345353353.db2.gz DGXTVCLJJGGWSL-AWEZNQCLSA-N 2 2 275.352 2.359 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000595903332 345910904 /nfs/dbraw/zinc/91/09/04/345910904.db2.gz VJSFIGSFNSFILB-JTQLQIEISA-N 2 2 251.330 2.325 20 5 CEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595903332 345910907 /nfs/dbraw/zinc/91/09/07/345910907.db2.gz VJSFIGSFNSFILB-JTQLQIEISA-N 2 2 251.330 2.325 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595903064 345911114 /nfs/dbraw/zinc/91/11/14/345911114.db2.gz GYNGKJIAYWTKHN-XIKARTHZSA-N 2 2 275.352 2.387 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595903064 345911117 /nfs/dbraw/zinc/91/11/17/345911117.db2.gz GYNGKJIAYWTKHN-XIKARTHZSA-N 2 2 275.352 2.387 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600777088 346688625 /nfs/dbraw/zinc/68/86/25/346688625.db2.gz YUDAVONSQQLJQU-IYBDPMFKSA-N 2 2 289.379 2.335 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600777088 346688629 /nfs/dbraw/zinc/68/86/29/346688629.db2.gz YUDAVONSQQLJQU-IYBDPMFKSA-N 2 2 289.379 2.335 20 5 CEBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743052 299216628 /nfs/dbraw/zinc/21/66/28/299216628.db2.gz FNJKJTHCRVLLFE-FZMZJTMJSA-N 2 2 286.335 2.457 20 5 CEBDLP C[NH+](C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120136534 365378987 /nfs/dbraw/zinc/37/89/87/365378987.db2.gz KJTOKRWFYVEXDE-UHFFFAOYSA-N 2 2 263.341 2.121 20 5 CEBDLP Cc1c(C[NH+]2CCC3(CC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000582779510 366955782 /nfs/dbraw/zinc/95/57/82/366955782.db2.gz NKVRSCZTOMRPHG-UHFFFAOYSA-N 2 2 275.352 2.231 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253417 367227865 /nfs/dbraw/zinc/22/78/65/367227865.db2.gz WDYJKWVEWNLFFO-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253417 367227869 /nfs/dbraw/zinc/22/78/69/367227869.db2.gz WDYJKWVEWNLFFO-UWVGGRQHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009149 370868969 /nfs/dbraw/zinc/86/89/69/370868969.db2.gz CCCMGOBMTSEDBQ-SUNKGSAMSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009149 370868972 /nfs/dbraw/zinc/86/89/72/370868972.db2.gz CCCMGOBMTSEDBQ-SUNKGSAMSA-N 2 2 263.341 2.196 20 5 CEBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238880 375284529 /nfs/dbraw/zinc/28/45/29/375284529.db2.gz DFYNFJXZPLFYLH-GXSJLCMTSA-N 2 2 267.304 2.046 20 5 CEBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238880 375284535 /nfs/dbraw/zinc/28/45/35/375284535.db2.gz DFYNFJXZPLFYLH-GXSJLCMTSA-N 2 2 267.304 2.046 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414786359 375969411 /nfs/dbraw/zinc/96/94/11/375969411.db2.gz AUPFVYLBHKRAMX-ZDUSSCGKSA-N 2 2 281.356 2.066 20 5 CEBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC000414790662 375973014 /nfs/dbraw/zinc/97/30/14/375973014.db2.gz PLLNDDYCHFRCKA-UHFFFAOYSA-N 2 2 269.732 2.090 20 5 CEBDLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414808729 375995630 /nfs/dbraw/zinc/99/56/30/375995630.db2.gz FTBCKPGWGAGDGZ-GFCCVEGCSA-N 2 2 281.356 2.211 20 5 CEBDLP CCC([NH3+])(CC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414813121 375999467 /nfs/dbraw/zinc/99/94/67/375999467.db2.gz SJETXXFPWNMRJF-UHFFFAOYSA-N 2 2 269.320 2.341 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563136220 377105100 /nfs/dbraw/zinc/10/51/00/377105100.db2.gz MQSTWYOOHPHWHP-OAHLLOKOSA-N 2 2 275.352 2.170 20 5 CEBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563136220 377105107 /nfs/dbraw/zinc/10/51/07/377105107.db2.gz MQSTWYOOHPHWHP-OAHLLOKOSA-N 2 2 275.352 2.170 20 5 CEBDLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423244440 377165021 /nfs/dbraw/zinc/16/50/21/377165021.db2.gz XMMLOUIQBRFZRL-NEPJUHHUSA-N 2 2 263.341 2.306 20 5 CEBDLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423314816 377242455 /nfs/dbraw/zinc/24/24/55/377242455.db2.gz WPCNLHKXUICSIO-LLVKDONJSA-N 2 2 251.330 2.245 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000346997886 218085420 /nfs/dbraw/zinc/08/54/20/218085420.db2.gz DPTYVBSKZWOJMQ-BXUZGUMPSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000346997886 218085422 /nfs/dbraw/zinc/08/54/22/218085422.db2.gz DPTYVBSKZWOJMQ-BXUZGUMPSA-N 2 2 293.367 2.163 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000420278969 395291419 /nfs/dbraw/zinc/29/14/19/395291419.db2.gz WRPJYXYQJYRAQR-LBPRGKRZSA-N 2 2 263.341 2.260 20 5 CEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000420278969 395291422 /nfs/dbraw/zinc/29/14/22/395291422.db2.gz WRPJYXYQJYRAQR-LBPRGKRZSA-N 2 2 263.341 2.260 20 5 CEBDLP C[NH2+]CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000420392165 395367778 /nfs/dbraw/zinc/36/77/78/395367778.db2.gz ULBQJSUTIBVZOT-UHFFFAOYSA-N 2 2 295.383 2.423 20 5 CEBDLP C[NH2+]CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000420392165 395367782 /nfs/dbraw/zinc/36/77/82/395367782.db2.gz ULBQJSUTIBVZOT-UHFFFAOYSA-N 2 2 295.383 2.423 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573164 271391565 /nfs/dbraw/zinc/39/15/65/271391565.db2.gz QADHWBARZKCGQX-GHMZBOCLSA-N 2 2 281.331 2.293 20 5 CEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573164 271391567 /nfs/dbraw/zinc/39/15/67/271391567.db2.gz QADHWBARZKCGQX-GHMZBOCLSA-N 2 2 281.331 2.293 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423331107 281024487 /nfs/dbraw/zinc/02/44/87/281024487.db2.gz UQXVREGBBHMCQN-ZWNOBZJWSA-N 2 2 263.341 2.291 20 5 CEBDLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423464550 281048071 /nfs/dbraw/zinc/04/80/71/281048071.db2.gz MEPFDYWAFMFWPE-PWSUYJOCSA-N 2 2 251.330 2.291 20 5 CEBDLP Cc1c(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739652 650882693 /nfs/dbraw/zinc/88/26/93/650882693.db2.gz PKWBIRBJBDJJRI-ZBFHGGJFSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739652 650882698 /nfs/dbraw/zinc/88/26/98/650882698.db2.gz PKWBIRBJBDJJRI-ZBFHGGJFSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739652 650882702 /nfs/dbraw/zinc/88/27/02/650882702.db2.gz PKWBIRBJBDJJRI-ZBFHGGJFSA-N 2 2 289.379 2.429 20 5 CEBDLP Cc1c(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739652 650882704 /nfs/dbraw/zinc/88/27/04/650882704.db2.gz PKWBIRBJBDJJRI-ZBFHGGJFSA-N 2 2 289.379 2.429 20 5 CEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001168993599 811325101 /nfs/dbraw/zinc/32/51/01/811325101.db2.gz NOACODFHBRXGKE-MGPQQGTHSA-N 2 2 281.400 2.038 20 5 CEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001168993599 811325111 /nfs/dbraw/zinc/32/51/11/811325111.db2.gz NOACODFHBRXGKE-MGPQQGTHSA-N 2 2 281.400 2.038 20 5 CEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[NH+](C)C ZINC000449066032 282086572 /nfs/dbraw/zinc/08/65/72/282086572.db2.gz YMIHRSXTEWNWMF-LBPRGKRZSA-N 2 2 279.384 2.456 20 5 CEBDLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110815 282104160 /nfs/dbraw/zinc/10/41/60/282104160.db2.gz GWJUYPQKXVXHDN-ZDUSSCGKSA-N 2 2 279.384 2.456 20 5 CEBDLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110815 282104162 /nfs/dbraw/zinc/10/41/62/282104162.db2.gz GWJUYPQKXVXHDN-ZDUSSCGKSA-N 2 2 279.384 2.456 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684389 346400349 /nfs/dbraw/zinc/40/03/49/346400349.db2.gz WMCQKMNGQONLKA-TYNCELHUSA-N 2 2 275.352 2.469 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684389 346400352 /nfs/dbraw/zinc/40/03/52/346400352.db2.gz WMCQKMNGQONLKA-TYNCELHUSA-N 2 2 275.352 2.469 20 5 CEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600678868 346671992 /nfs/dbraw/zinc/67/19/92/346671992.db2.gz NYCWBWHMUAZNDD-YFCVBGDOSA-N 2 2 287.363 2.482 20 5 CEBDLP Cc1c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000400339392 233176493 /nfs/dbraw/zinc/17/64/93/233176493.db2.gz GITLJDFOKVPLOZ-WCQYABFASA-N 2 2 263.341 2.133 20 5 CEBDLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000221150952 370237196 /nfs/dbraw/zinc/23/71/96/370237196.db2.gz TXAKKWWNEATMGG-ZDUSSCGKSA-N 2 2 263.341 2.087 20 5 CEBDLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000221150952 370237202 /nfs/dbraw/zinc/23/72/02/370237202.db2.gz TXAKKWWNEATMGG-ZDUSSCGKSA-N 2 2 263.341 2.087 20 5 CEBDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000252728215 371474802 /nfs/dbraw/zinc/47/48/02/371474802.db2.gz AJJVZNVUFMROBX-DGCLKSJQSA-N 2 2 263.341 2.025 20 5 CEBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000252728215 371474806 /nfs/dbraw/zinc/47/48/06/371474806.db2.gz AJJVZNVUFMROBX-DGCLKSJQSA-N 2 2 263.341 2.025 20 5 CEBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000386560693 375261960 /nfs/dbraw/zinc/26/19/60/375261960.db2.gz IYMDPVRJRQDPAQ-SMDDNHRTSA-N 2 2 263.341 2.215 20 5 CEBDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423194464 377108645 /nfs/dbraw/zinc/10/86/45/377108645.db2.gz RNSAOKAOQDXEHK-DGCLKSJQSA-N 2 2 263.341 2.306 20 5 CEBDLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423180011 377091691 /nfs/dbraw/zinc/09/16/91/377091691.db2.gz DSMBHFFMZZQOCM-YPMHNXCESA-N 2 2 293.367 2.396 20 5 CEBDLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267934 377187662 /nfs/dbraw/zinc/18/76/62/377187662.db2.gz UFJGDFSZPGDNLM-GWCFXTLKSA-N 2 2 251.330 2.229 20 5 CEBDLP C[NH2+]C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347151335 218139330 /nfs/dbraw/zinc/13/93/30/218139330.db2.gz BDGRJNVYRGFWGH-AGLBCWCQSA-N 2 2 275.352 2.149 20 5 CEBDLP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347151335 218139332 /nfs/dbraw/zinc/13/93/32/218139332.db2.gz BDGRJNVYRGFWGH-AGLBCWCQSA-N 2 2 275.352 2.149 20 5 CEBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000414952797 394821497 /nfs/dbraw/zinc/82/14/97/394821497.db2.gz QZGDPOFYQMBXNU-GXSJLCMTSA-N 2 2 283.759 2.478 20 5 CEBDLP CC[C@H]([NH3+])C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414980111 394836027 /nfs/dbraw/zinc/83/60/27/394836027.db2.gz OZRDPZWMZWMYBT-VIFPVBQESA-N 2 2 289.282 2.023 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427123516 395093075 /nfs/dbraw/zinc/09/30/75/395093075.db2.gz XXTWFOPZQHBGFD-HIFRSBDPSA-N 2 2 275.352 2.087 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427123516 395093078 /nfs/dbraw/zinc/09/30/78/395093078.db2.gz XXTWFOPZQHBGFD-HIFRSBDPSA-N 2 2 275.352 2.087 20 5 CEBDLP C[NH2+]CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420366899 395353719 /nfs/dbraw/zinc/35/37/19/395353719.db2.gz VDDDMNNIPUIWNK-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP C[NH2+]CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420366899 395353726 /nfs/dbraw/zinc/35/37/26/395353726.db2.gz VDDDMNNIPUIWNK-UHFFFAOYSA-N 2 2 263.341 2.169 20 5 CEBDLP COc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000420359135 395346684 /nfs/dbraw/zinc/34/66/84/395346684.db2.gz FZNVZFOEEZDFSB-UEKVPHQBSA-N 2 2 293.367 2.080 20 5 CEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000367705791 156227993 /nfs/dbraw/zinc/22/79/93/156227993.db2.gz QZJFOUDHJHCDRB-LLVKDONJSA-N 2 2 292.364 2.379 20 5 CEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000367705791 156227995 /nfs/dbraw/zinc/22/79/95/156227995.db2.gz QZJFOUDHJHCDRB-LLVKDONJSA-N 2 2 292.364 2.379 20 5 CEBDLP CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000071332062 176125190 /nfs/dbraw/zinc/12/51/90/176125190.db2.gz UKEXEYJORIVOIX-CQSZACIVSA-N 2 2 277.368 2.477 20 5 CEBDLP CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000071332062 176125192 /nfs/dbraw/zinc/12/51/92/176125192.db2.gz UKEXEYJORIVOIX-CQSZACIVSA-N 2 2 277.368 2.477 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576122167 314245277 /nfs/dbraw/zinc/24/52/77/314245277.db2.gz YJDATZPFSGVDMA-ZWNOBZJWSA-N 2 2 298.346 2.452 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000576122167 314245280 /nfs/dbraw/zinc/24/52/80/314245280.db2.gz YJDATZPFSGVDMA-ZWNOBZJWSA-N 2 2 298.346 2.452 20 5 CEBDLP Cc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000580328481 322311558 /nfs/dbraw/zinc/31/15/58/322311558.db2.gz VWFGBAZOUNGBHR-UHFFFAOYSA-N 2 2 263.341 2.089 20 5 CEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000581022036 322363281 /nfs/dbraw/zinc/36/32/81/322363281.db2.gz JESATXLGAFOQST-CQSZACIVSA-N 2 2 286.335 2.459 20 5 CEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414961658 529129948 /nfs/dbraw/zinc/12/99/48/529129948.db2.gz BPPXYCBSXVJYAN-JTQLQIEISA-N 2 2 269.370 2.134 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703608690 809670921 /nfs/dbraw/zinc/67/09/21/809670921.db2.gz XXKAUGZZPSGNQI-TYNCELHUSA-N 2 2 275.352 2.197 20 5 CEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703608690 809670925 /nfs/dbraw/zinc/67/09/25/809670925.db2.gz XXKAUGZZPSGNQI-TYNCELHUSA-N 2 2 275.352 2.197 20 5 CEBDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978621 811308283 /nfs/dbraw/zinc/30/82/83/811308283.db2.gz TUWLEWOKNBWMBQ-KKUMJFAQSA-N 2 2 283.416 2.142 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649089 361917452 /nfs/dbraw/zinc/91/74/52/361917452.db2.gz YTDQEVQQRQRHGK-LBPRGKRZSA-N 2 2 275.352 2.169 20 5 CEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649089 361917459 /nfs/dbraw/zinc/91/74/59/361917459.db2.gz YTDQEVQQRQRHGK-LBPRGKRZSA-N 2 2 275.352 2.169 20 5 CEBDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125485546 187187165 /nfs/dbraw/zinc/18/71/65/187187165.db2.gz OFWWTEUBXXJTDX-CQSZACIVSA-N 2 2 277.368 2.287 20 5 CEBDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125485546 187187166 /nfs/dbraw/zinc/18/71/66/187187166.db2.gz OFWWTEUBXXJTDX-CQSZACIVSA-N 2 2 277.368 2.287 20 5 CEBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677644 343422774 /nfs/dbraw/zinc/42/27/74/343422774.db2.gz KUKCCAXWDBXHTC-OAHLLOKOSA-N 2 2 277.368 2.211 20 5 CEBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677644 343422775 /nfs/dbraw/zinc/42/27/75/343422775.db2.gz KUKCCAXWDBXHTC-OAHLLOKOSA-N 2 2 277.368 2.211 20 5 CEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH+](C)C ZINC000449555096 282281555 /nfs/dbraw/zinc/28/15/55/282281555.db2.gz FPDJCLMBXQVENW-STQMWFEESA-N 2 2 279.384 2.456 20 5 CEBDLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581215 345266686 /nfs/dbraw/zinc/26/66/86/345266686.db2.gz NYEYZIDORDDNQF-SGMGOOAPSA-N 2 2 281.331 2.336 20 5 CEBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000598717681 346407068 /nfs/dbraw/zinc/40/70/68/346407068.db2.gz HOIRUVIWAIUHEM-ARTVWEGUSA-N 2 2 287.363 2.421 20 5 CEBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000598717681 346407070 /nfs/dbraw/zinc/40/70/70/346407070.db2.gz HOIRUVIWAIUHEM-ARTVWEGUSA-N 2 2 287.363 2.421 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351847502 219222928 /nfs/dbraw/zinc/22/29/28/219222928.db2.gz AAVXXLWOXPTUAD-NWDGAFQWSA-N 2 2 293.367 2.163 20 5 CEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351847502 219222929 /nfs/dbraw/zinc/22/29/29/219222929.db2.gz AAVXXLWOXPTUAD-NWDGAFQWSA-N 2 2 293.367 2.163 20 5 CEBDLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000276522024 193365867 /nfs/dbraw/zinc/36/58/67/193365867.db2.gz VJUINYMANZLHBX-DZGCQCFKSA-N 2 2 291.395 2.457 20 5 CEBDLP C[N@H+]1C[C@@H]2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000194540985 370048563 /nfs/dbraw/zinc/04/85/63/370048563.db2.gz SBDBPJZXXHVCQB-LPZJRDJDSA-N 2 2 287.363 2.101 20 5 CEBDLP C[N@@H+]1C[C@@H]2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000194540985 370048568 /nfs/dbraw/zinc/04/85/68/370048568.db2.gz SBDBPJZXXHVCQB-LPZJRDJDSA-N 2 2 287.363 2.101 20 5 CEBDLP C[NH+]1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000194540985 370048573 /nfs/dbraw/zinc/04/85/73/370048573.db2.gz SBDBPJZXXHVCQB-LPZJRDJDSA-N 2 2 287.363 2.101 20 5 CEBDLP C[NH+]1C[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000194540985 370048579 /nfs/dbraw/zinc/04/85/79/370048579.db2.gz SBDBPJZXXHVCQB-LPZJRDJDSA-N 2 2 287.363 2.101 20 5 CEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230047747 370437512 /nfs/dbraw/zinc/43/75/12/370437512.db2.gz UPWAGWGMAHQWGF-SDDRHHMPSA-N 2 2 281.381 2.216 20 5 CEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230047747 370437513 /nfs/dbraw/zinc/43/75/13/370437513.db2.gz UPWAGWGMAHQWGF-SDDRHHMPSA-N 2 2 281.381 2.216 20 5 CEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230047736 370437628 /nfs/dbraw/zinc/43/76/28/370437628.db2.gz UPWAGWGMAHQWGF-GRYCIOLGSA-N 2 2 281.381 2.216 20 5 CEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230047736 370437631 /nfs/dbraw/zinc/43/76/31/370437631.db2.gz UPWAGWGMAHQWGF-GRYCIOLGSA-N 2 2 281.381 2.216 20 5 CEBDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998688 374120621 /nfs/dbraw/zinc/12/06/21/374120621.db2.gz GAIWUEYRQQDBLV-IUODEOHRSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998688 374120629 /nfs/dbraw/zinc/12/06/29/374120629.db2.gz GAIWUEYRQQDBLV-IUODEOHRSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998688 374120634 /nfs/dbraw/zinc/12/06/34/374120634.db2.gz GAIWUEYRQQDBLV-IUODEOHRSA-N 2 2 277.368 2.367 20 5 CEBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998688 374120639 /nfs/dbraw/zinc/12/06/39/374120639.db2.gz GAIWUEYRQQDBLV-IUODEOHRSA-N 2 2 277.368 2.367 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000414766173 375956818 /nfs/dbraw/zinc/95/68/18/375956818.db2.gz HARHXSRMMVPWAL-XHDPSFHLSA-N 2 2 277.368 2.462 20 5 CEBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000414766173 375956820 /nfs/dbraw/zinc/95/68/20/375956820.db2.gz HARHXSRMMVPWAL-XHDPSFHLSA-N 2 2 277.368 2.462 20 5 CEBDLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414806150 375990738 /nfs/dbraw/zinc/99/07/38/375990738.db2.gz PTLZXWYAQLMZLP-UHFFFAOYSA-N 2 2 281.356 2.211 20 5 CEBDLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423142933 377042866 /nfs/dbraw/zinc/04/28/66/377042866.db2.gz BTLMLTQSBUFBID-MJVIPROJSA-N 2 2 263.341 2.386 20 5 CEBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423232838 377151122 /nfs/dbraw/zinc/15/11/22/377151122.db2.gz ITHZGDDTBBZLLV-WCQYABFASA-N 2 2 263.341 2.306 20 5 CEBDLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423244441 377164856 /nfs/dbraw/zinc/16/48/56/377164856.db2.gz XMMLOUIQBRFZRL-NWDGAFQWSA-N 2 2 263.341 2.306 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCC2 ZINC000423245884 377165824 /nfs/dbraw/zinc/16/58/24/377165824.db2.gz YXGLDKCDBUFBFR-IUODEOHRSA-N 2 2 275.352 2.314 20 5 CEBDLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000565963201 377709477 /nfs/dbraw/zinc/70/94/77/377709477.db2.gz SESYQMZYYRDJED-JTQLQIEISA-N 2 2 274.324 2.488 20 5 CEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000332197861 285144330 /nfs/dbraw/zinc/14/43/30/285144330.db2.gz DZPSAJKIBBIBNI-DOMZBBRYSA-N 2 2 275.352 2.314 20 5 CEBDLP C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000414862378 394775856 /nfs/dbraw/zinc/77/58/56/394775856.db2.gz XNIQOVZDUVGQSE-MWLCHTKSSA-N 2 2 269.370 2.134 20 5 CEBDLP COc1ccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000420359133 395346270 /nfs/dbraw/zinc/34/62/70/395346270.db2.gz FZNVZFOEEZDFSB-FIXISWKDSA-N 2 2 293.367 2.080 20 5 CEBDLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037249547 173062081 /nfs/dbraw/zinc/06/20/81/173062081.db2.gz GVSHKOXOOBJWHK-LLVKDONJSA-N 2 2 263.341 2.340 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000040600679 174350951 /nfs/dbraw/zinc/35/09/51/174350951.db2.gz DVTLCESMTYBYNT-NSHDSACASA-N 2 2 281.331 2.165 20 5 CEBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000040600679 174350953 /nfs/dbraw/zinc/35/09/53/174350953.db2.gz DVTLCESMTYBYNT-NSHDSACASA-N 2 2 281.331 2.165 20 5 CEBDLP C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000430550701 271388229 /nfs/dbraw/zinc/38/82/29/271388229.db2.gz ZLYYDOVGIHNJHJ-SWLSCSKDSA-N 2 2 293.367 2.033 20 5 CEBDLP C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000430550701 271388234 /nfs/dbraw/zinc/38/82/34/271388234.db2.gz ZLYYDOVGIHNJHJ-SWLSCSKDSA-N 2 2 293.367 2.033 20 5 CEBDLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422946525 280975500 /nfs/dbraw/zinc/97/55/00/280975500.db2.gz OXFJUNAABSTHRA-AAEUAGOBSA-N 2 2 293.367 2.224 20 5 CEBDLP O=[N+]([O-])c1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cs1 ZINC000367414460 527330644 /nfs/dbraw/zinc/33/06/44/527330644.db2.gz DJQUFBFYCQVQAF-UHFFFAOYSA-N 2 2 292.364 2.479 20 5 CEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363449774 527461916 /nfs/dbraw/zinc/46/19/16/527461916.db2.gz MDSKFQDAXSXYLC-CYBMUJFWSA-N 2 2 286.335 2.318 20 5 CEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363449774 527461926 /nfs/dbraw/zinc/46/19/26/527461926.db2.gz MDSKFQDAXSXYLC-CYBMUJFWSA-N 2 2 286.335 2.318 20 5 CEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363449775 527471053 /nfs/dbraw/zinc/47/10/53/527471053.db2.gz MDSKFQDAXSXYLC-ZDUSSCGKSA-N 2 2 286.335 2.318 20 5 CEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363449775 527471060 /nfs/dbraw/zinc/47/10/60/527471060.db2.gz MDSKFQDAXSXYLC-ZDUSSCGKSA-N 2 2 286.335 2.318 20 5 CEBDLP CC1(C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]2CCC[NH2+][C@@H]21 ZINC000925596127 628276841 /nfs/dbraw/zinc/27/68/41/628276841.db2.gz UPQXCFGRDHMHAE-VHDGCEQUSA-N 2 2 289.379 2.461 20 5 CEBDLP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH2+]CC1 ZINC000261799957 629245810 /nfs/dbraw/zinc/24/58/10/629245810.db2.gz GXVVWQLNCDSREB-UHFFFAOYSA-N 2 2 283.759 2.432 20 5 CEBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH2+]CC1 ZINC000261799957 629245812 /nfs/dbraw/zinc/24/58/12/629245812.db2.gz GXVVWQLNCDSREB-UHFFFAOYSA-N 2 2 283.759 2.432 20 5 CEBDLP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000034996636 631153551 /nfs/dbraw/zinc/15/35/51/631153551.db2.gz ZPRXYCNGCVEOGX-UHFFFAOYSA-N 2 2 263.341 2.087 20 5 CEBDLP C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000846217358 641225729 /nfs/dbraw/zinc/22/57/29/641225729.db2.gz FHQSLZPISCCRBH-UHFFFAOYSA-N 2 2 279.340 2.002 20 5 CEBDLP C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000846217358 641225734 /nfs/dbraw/zinc/22/57/34/641225734.db2.gz FHQSLZPISCCRBH-UHFFFAOYSA-N 2 2 279.340 2.002 20 5 CEBDLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000873297234 649632487 /nfs/dbraw/zinc/63/24/87/649632487.db2.gz UTCWBKZOZLFFBF-YNEHKIRRSA-N 2 2 293.367 2.012 20 5 CEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507024 652432178 /nfs/dbraw/zinc/43/21/78/652432178.db2.gz LZGLTKXTMXIMDH-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507024 652432179 /nfs/dbraw/zinc/43/21/79/652432179.db2.gz LZGLTKXTMXIMDH-NXEZZACHSA-N 2 2 283.759 2.417 20 5 CEBDLP