smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1F ZINC000706764560 712154837 /nfs/dbraw/zinc/15/48/37/712154837.db2.gz KSAYFNNOQXSNIR-JOYOIKCWSA-N 1 1 236.246 2.328 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]32)cc1F ZINC000706764560 712154840 /nfs/dbraw/zinc/15/48/40/712154840.db2.gz KSAYFNNOQXSNIR-JOYOIKCWSA-N 1 1 236.246 2.328 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)c(F)c1 ZINC000707002791 712163393 /nfs/dbraw/zinc/16/33/93/712163393.db2.gz RSHNSCRYRNMJRH-QPUJVOFHSA-N 1 1 236.246 2.328 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]32)c(F)c1 ZINC000707002791 712163394 /nfs/dbraw/zinc/16/33/94/712163394.db2.gz RSHNSCRYRNMJRH-QPUJVOFHSA-N 1 1 236.246 2.328 20 5 BEBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000754079496 712406059 /nfs/dbraw/zinc/40/60/59/712406059.db2.gz JDSDMGDCEMFGTJ-NSHDSACASA-N 1 1 249.314 2.125 20 5 BEBDMO CC[N@@H+]1CC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000712592856 712435544 /nfs/dbraw/zinc/43/55/44/712435544.db2.gz AMUQQYKYGLTSSE-MRVPVSSYSA-N 1 1 241.316 2.162 20 5 BEBDMO CC[N@H+]1CC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000712592856 712435545 /nfs/dbraw/zinc/43/55/45/712435545.db2.gz AMUQQYKYGLTSSE-MRVPVSSYSA-N 1 1 241.316 2.162 20 5 BEBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C ZINC000712605185 712436778 /nfs/dbraw/zinc/43/67/78/712436778.db2.gz KYYMCIWFVOLURL-SNVBAGLBSA-N 1 1 235.287 2.019 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C)c1 ZINC000712610271 712437564 /nfs/dbraw/zinc/43/75/64/712437564.db2.gz YKNCYUPHWULORJ-JTQLQIEISA-N 1 1 235.287 2.019 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000719623939 712814400 /nfs/dbraw/zinc/81/44/00/712814400.db2.gz KDFNIHSCYBLKOX-GXFFZTMASA-N 1 1 249.314 2.408 20 5 BEBDMO CCCC[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009474 969334503 /nfs/dbraw/zinc/33/45/03/969334503.db2.gz WKKVOZVQYVARIE-MNOVXSKESA-N 1 1 214.309 2.164 20 5 BEBDMO C[C@]1(F)CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011577 969338985 /nfs/dbraw/zinc/33/89/85/969338985.db2.gz LCHXRZNBZBVJRW-UTUOFQBUSA-N 1 1 244.310 2.256 20 5 BEBDMO C[C@]1(CF)CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169012511 969338052 /nfs/dbraw/zinc/33/80/52/969338052.db2.gz QSFYEWVZJNCHGG-SDDRHHMPSA-N 1 1 244.310 2.113 20 5 BEBDMO C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038371 969356122 /nfs/dbraw/zinc/35/61/22/969356122.db2.gz YJCBEXMIMLIGOK-QWRGUYRKSA-N 1 1 228.336 2.410 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCC23CC3)C1 ZINC001169005681 969329158 /nfs/dbraw/zinc/32/91/58/969329158.db2.gz CDVMNGRAXLJDNX-QWRGUYRKSA-N 1 1 224.304 2.060 20 5 BEBDMO CCC[N@@H+](CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009782 969334179 /nfs/dbraw/zinc/33/41/79/969334179.db2.gz YEDKAMHUDXRYAD-QWRGUYRKSA-N 1 1 214.309 2.164 20 5 BEBDMO CC1(C)CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010219 969337209 /nfs/dbraw/zinc/33/72/09/969337209.db2.gz ZZGUOHAHRFOUBC-MNOVXSKESA-N 1 1 226.320 2.306 20 5 BEBDMO C[C@]1(F)CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011575 969338305 /nfs/dbraw/zinc/33/83/05/969338305.db2.gz LCHXRZNBZBVJRW-SRVKXCTJSA-N 1 1 244.310 2.256 20 5 BEBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169010591 969338472 /nfs/dbraw/zinc/33/84/72/969338472.db2.gz DWLUHJMSQRWGGL-NOOOWODRSA-N 1 1 244.310 2.112 20 5 BEBDMO CC1CC([N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014005 969341883 /nfs/dbraw/zinc/34/18/83/969341883.db2.gz XOAZHOZIQNPJKU-YECOWLKZSA-N 1 1 226.320 2.162 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC3CCC2CC3)C1 ZINC001169037498 969355028 /nfs/dbraw/zinc/35/50/28/969355028.db2.gz RZKBMMRCBHDYAH-PYNQCMFNSA-N 1 1 238.331 2.306 20 5 BEBDMO C[N@@H+](CC1CCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037512 969355750 /nfs/dbraw/zinc/35/57/50/969355750.db2.gz SAGGHOYXWCOSCE-NEPJUHHUSA-N 1 1 226.320 2.164 20 5 BEBDMO CC[N@@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550821 969736018 /nfs/dbraw/zinc/73/60/18/969736018.db2.gz RPZIYSQEOANGKX-SNVBAGLBSA-N 1 1 222.288 2.478 20 5 BEBDMO CCC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597938 969742916 /nfs/dbraw/zinc/74/29/16/969742916.db2.gz JOGWZAPDOZSTGW-CYBMUJFWSA-N 1 1 234.299 2.404 20 5 BEBDMO C[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593132 969743224 /nfs/dbraw/zinc/74/32/24/969743224.db2.gz IXIYYGJOAXSAML-IINYFYTJSA-N 1 1 246.310 2.404 20 5 BEBDMO CC[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226567 975073590 /nfs/dbraw/zinc/07/35/90/975073590.db2.gz MODBGFQUXVGXGF-SNVBAGLBSA-N 1 1 222.288 2.478 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC001332912245 975319354 /nfs/dbraw/zinc/31/93/54/975319354.db2.gz SYLDKOOJSXCFLM-SNVBAGLBSA-N 1 1 242.344 2.278 20 5 BEBDMO Cc1cc2[nH]ncc2cc1O[C@@H](C)C[N+](C)(C)C ZINC001230225009 977132887 /nfs/dbraw/zinc/13/28/87/977132887.db2.gz FKUNLQQJZFREKG-NSHDSACASA-N 1 1 248.350 2.345 20 5 BEBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CC[N+](=O)[O-] ZINC001119819701 989429368 /nfs/dbraw/zinc/42/93/68/989429368.db2.gz UOIDLUVCEOYDQY-CYBMUJFWSA-N 1 1 234.299 2.100 20 5 BEBDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC001618778520 1170649311 /nfs/dbraw/zinc/64/93/11/1170649311.db2.gz YFMIBMCDUAIKOQ-VXGBXAGGSA-N 1 1 240.347 2.411 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCF ZINC000293625849 178271003 /nfs/dbraw/zinc/27/10/03/178271003.db2.gz KZTLIEFMSMIIRH-UHFFFAOYSA-N 1 1 226.251 2.305 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCF ZINC000293625849 178271004 /nfs/dbraw/zinc/27/10/04/178271004.db2.gz KZTLIEFMSMIIRH-UHFFFAOYSA-N 1 1 226.251 2.305 20 5 BEBDMO CC(C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000610585391 343973771 /nfs/dbraw/zinc/97/37/71/343973771.db2.gz MWXMVLMZMFLFRW-UHFFFAOYSA-N 1 1 222.288 2.478 20 5 BEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC=CCC2)c1 ZINC000611517294 344749514 /nfs/dbraw/zinc/74/95/14/344749514.db2.gz OOTBFLLEVNIXBQ-UHFFFAOYSA-N 1 1 218.256 2.357 20 5 BEBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC=CCC2)c1 ZINC000611517294 344749517 /nfs/dbraw/zinc/74/95/17/344749517.db2.gz OOTBFLLEVNIXBQ-UHFFFAOYSA-N 1 1 218.256 2.357 20 5 BEBDMO C[N@H+]1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000309475147 347070713 /nfs/dbraw/zinc/07/07/13/347070713.db2.gz RPWITYFKXUHXCM-MRVPVSSYSA-N 1 1 241.316 2.020 20 5 BEBDMO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC(C)C ZINC000595293792 348215197 /nfs/dbraw/zinc/21/51/97/348215197.db2.gz AOAUBFQOIVPJOI-UHFFFAOYSA-N 1 1 241.291 2.369 20 5 BEBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CC1 ZINC000595313448 348223914 /nfs/dbraw/zinc/22/39/14/348223914.db2.gz RRLMZUJFIAEZPW-UHFFFAOYSA-N 1 1 239.275 2.123 20 5 BEBDMO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CC1 ZINC000595313448 348223918 /nfs/dbraw/zinc/22/39/18/348223918.db2.gz RRLMZUJFIAEZPW-UHFFFAOYSA-N 1 1 239.275 2.123 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808332 348349088 /nfs/dbraw/zinc/34/90/88/348349088.db2.gz CSLJSNPBMVMQHQ-ZYHUDNBSSA-N 1 1 232.283 2.437 20 5 BEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000052128190 323192599 /nfs/dbraw/zinc/19/25/99/323192599.db2.gz RAMYEUDWXFNWGJ-UHFFFAOYSA-N 1 1 220.272 2.437 20 5 BEBDMO CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052637832 323194155 /nfs/dbraw/zinc/19/41/55/323194155.db2.gz QRTOOXWQACZHBK-UHFFFAOYSA-N 1 1 208.261 2.437 20 5 BEBDMO Cc1[nH+]cn(Cc2ccccc2[N+](=O)[O-])c1C ZINC000106440595 180289752 /nfs/dbraw/zinc/28/97/52/180289752.db2.gz QPHPMOXZGOSGMP-UHFFFAOYSA-N 1 1 231.255 2.456 20 5 BEBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000052128171 350956741 /nfs/dbraw/zinc/95/67/41/350956741.db2.gz FLFAJSMMXXHJJK-UHFFFAOYSA-N 1 1 220.272 2.437 20 5 BEBDMO CC(C)[N@@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000054128176 188048825 /nfs/dbraw/zinc/04/88/25/188048825.db2.gz VQWAMNMVDODUHI-UHFFFAOYSA-N 1 1 237.303 2.347 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC=CCC2)cc1 ZINC000059615455 355621532 /nfs/dbraw/zinc/62/15/32/355621532.db2.gz YPHUHTOXWMRNQH-UHFFFAOYSA-N 1 1 218.256 2.357 20 5 BEBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076940817 325360272 /nfs/dbraw/zinc/36/02/72/325360272.db2.gz XNIBFGJIHHFPAO-UHFFFAOYSA-N 1 1 220.272 2.232 20 5 BEBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000090795295 363880662 /nfs/dbraw/zinc/88/06/62/363880662.db2.gz YAKKAWOLXJYMNE-CMPLNLGQSA-N 1 1 249.314 2.489 20 5 BEBDMO CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282481728 169078404 /nfs/dbraw/zinc/07/84/04/169078404.db2.gz OYHWMLMXBMDFSE-UHFFFAOYSA-N 1 1 222.288 2.479 20 5 BEBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000054128107 384823502 /nfs/dbraw/zinc/82/35/02/384823502.db2.gz HOXWXEYHHITZHN-UHFFFAOYSA-N 1 1 237.303 2.267 20 5 BEBDMO Cc1ccc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000062010352 385023721 /nfs/dbraw/zinc/02/37/21/385023721.db2.gz UUMLGFMNTIWROW-UHFFFAOYSA-N 1 1 249.314 2.409 20 5 BEBDMO O=[N+]([O-])c1ccccc1NCC[N@@H+]1CC=CCC1 ZINC000280154531 385265517 /nfs/dbraw/zinc/26/55/17/385265517.db2.gz FZUFBDXOUNWDOF-UHFFFAOYSA-N 1 1 247.298 2.269 20 5 BEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCF ZINC000595055370 388376232 /nfs/dbraw/zinc/37/62/32/388376232.db2.gz XLYZPFONPVVHBN-QMMMGPOBSA-N 1 1 242.250 2.224 20 5 BEBDMO Cc1noc(C[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000595309396 388381114 /nfs/dbraw/zinc/38/11/14/388381114.db2.gz SDESALCUXTZEOS-UHFFFAOYSA-N 1 1 239.275 2.266 20 5 BEBDMO CC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000298755489 388651173 /nfs/dbraw/zinc/65/11/73/388651173.db2.gz PDUMCNKYDFGPDM-UHFFFAOYSA-N 1 1 200.263 2.108 20 5 BEBDMO CC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000298755489 388651176 /nfs/dbraw/zinc/65/11/76/388651176.db2.gz PDUMCNKYDFGPDM-UHFFFAOYSA-N 1 1 200.263 2.108 20 5 BEBDMO CC[N@H+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000299134103 388699077 /nfs/dbraw/zinc/69/90/77/388699077.db2.gz OEMUHNPRXCAYGP-UHFFFAOYSA-N 1 1 244.316 2.125 20 5 BEBDMO CC[N@@H+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000299134103 388699079 /nfs/dbraw/zinc/69/90/79/388699079.db2.gz OEMUHNPRXCAYGP-UHFFFAOYSA-N 1 1 244.316 2.125 20 5 BEBDMO Cc1cc(N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000356831295 132272224 /nfs/dbraw/zinc/27/22/24/132272224.db2.gz VCYGYUVNTOAATG-LLVKDONJSA-N 1 1 249.314 2.044 20 5 BEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000356796655 132272491 /nfs/dbraw/zinc/27/24/91/132272491.db2.gz RDGCQBCZFGXMLC-WDEREUQCSA-N 1 1 249.314 2.124 20 5 BEBDMO C[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000044563075 173006058 /nfs/dbraw/zinc/00/60/58/173006058.db2.gz FMIFRSSJOYPLNX-CYBMUJFWSA-N 1 1 249.314 2.491 20 5 BEBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000044537600 173042812 /nfs/dbraw/zinc/04/28/12/173042812.db2.gz SZKHJBAYBVHMES-LLVKDONJSA-N 1 1 249.314 2.349 20 5 BEBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000293397859 176305410 /nfs/dbraw/zinc/30/54/10/176305410.db2.gz LISQJWJHUZINLW-NXEZZACHSA-N 1 1 220.272 2.435 20 5 BEBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000293397866 177265484 /nfs/dbraw/zinc/26/54/84/177265484.db2.gz LISQJWJHUZINLW-VHSXEESVSA-N 1 1 220.272 2.435 20 5 BEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](F)C2)cc1 ZINC000451190953 323142591 /nfs/dbraw/zinc/14/25/91/323142591.db2.gz QUJDLIWEBWXJLD-NSHDSACASA-N 1 1 238.262 2.181 20 5 BEBDMO Cc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1 ZINC000070163313 323170047 /nfs/dbraw/zinc/17/00/47/323170047.db2.gz AVPZENMQMAQYID-UHFFFAOYSA-N 1 1 217.228 2.148 20 5 BEBDMO NC(CC1CC1)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000742364558 582660577 /nfs/dbraw/zinc/66/05/77/582660577.db2.gz GFWILUQENTUUSD-UHFFFAOYSA-N 1 1 249.270 2.393 20 5 BEBDMO CC[N@H+](CC[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000791052135 583384566 /nfs/dbraw/zinc/38/45/66/583384566.db2.gz LWAASHDEVPZKPS-SNVBAGLBSA-N 1 1 238.287 2.052 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000791052135 583384567 /nfs/dbraw/zinc/38/45/67/583384567.db2.gz LWAASHDEVPZKPS-SNVBAGLBSA-N 1 1 238.287 2.052 20 5 BEBDMO Cc1ccc(C[C@H]2CCC[N@H+]2CC[N+](=O)[O-])cc1 ZINC000791053003 583385431 /nfs/dbraw/zinc/38/54/31/583385431.db2.gz RLDMPECOHVSBNG-CQSZACIVSA-N 1 1 248.326 2.279 20 5 BEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761091953 584909730 /nfs/dbraw/zinc/90/97/30/584909730.db2.gz MGPATNVZNNFVJV-QPUJVOFHSA-N 1 1 236.246 2.328 20 5 BEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761091953 584909731 /nfs/dbraw/zinc/90/97/31/584909731.db2.gz MGPATNVZNNFVJV-QPUJVOFHSA-N 1 1 236.246 2.328 20 5 BEBDMO Cc1c(C[N@H+]2CC[C@H]3C[C@H]32)cccc1[N+](=O)[O-] ZINC000761100131 585409028 /nfs/dbraw/zinc/40/90/28/585409028.db2.gz YCACJMFDMUPPSD-GXFFZTMASA-N 1 1 232.283 2.497 20 5 BEBDMO Cc1c(C[N@H+]2CC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000761100133 585409093 /nfs/dbraw/zinc/40/90/93/585409093.db2.gz YCACJMFDMUPPSD-MFKMUULPSA-N 1 1 232.283 2.497 20 5 BEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000774536809 585660930 /nfs/dbraw/zinc/66/09/30/585660930.db2.gz MPLOWHRSQOOCON-WDEREUQCSA-N 1 1 249.314 2.124 20 5 BEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000774536801 585661044 /nfs/dbraw/zinc/66/10/44/585661044.db2.gz MPLOWHRSQOOCON-GHMZBOCLSA-N 1 1 249.314 2.124 20 5 BEBDMO Cc1nn(C[N@H+](C)[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000779860337 585769171 /nfs/dbraw/zinc/76/91/71/585769171.db2.gz XCNROUFPEMXYPJ-JTQLQIEISA-N 1 1 240.307 2.034 20 5 BEBDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791052731 585972691 /nfs/dbraw/zinc/97/26/91/585972691.db2.gz BBXYVAZXAAIHKZ-SECBINFHSA-N 1 1 226.251 2.095 20 5 BEBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791052731 585972692 /nfs/dbraw/zinc/97/26/92/585972692.db2.gz BBXYVAZXAAIHKZ-SECBINFHSA-N 1 1 226.251 2.095 20 5 BEBDMO CC(C)(C)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000791052112 585972913 /nfs/dbraw/zinc/97/29/13/585972913.db2.gz LKVQYAPHGLOCON-NSHDSACASA-N 1 1 228.336 2.411 20 5 BEBDMO CC[C@@H]1c2ccsc2CC[N@H+]1CC[N+](=O)[O-] ZINC000791053699 585973205 /nfs/dbraw/zinc/97/32/05/585973205.db2.gz MOTMCMWROGVFMM-SNVBAGLBSA-N 1 1 240.328 2.334 20 5 BEBDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000791053699 585973206 /nfs/dbraw/zinc/97/32/06/585973206.db2.gz MOTMCMWROGVFMM-SNVBAGLBSA-N 1 1 240.328 2.334 20 5 BEBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000817131669 586783268 /nfs/dbraw/zinc/78/32/68/586783268.db2.gz KBBIKGPSBXEMKX-ZDUSSCGKSA-N 1 1 249.314 2.125 20 5 BEBDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000848519188 588390444 /nfs/dbraw/zinc/39/04/44/588390444.db2.gz MNLNOXBPNLMJRC-WPRPVWTQSA-N 1 1 249.270 2.249 20 5 BEBDMO COCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016157 589855195 /nfs/dbraw/zinc/85/51/95/589855195.db2.gz GDADKNLQQBYMLA-QMMMGPOBSA-N 1 1 242.250 2.031 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000880292931 590986989 /nfs/dbraw/zinc/98/69/89/590986989.db2.gz YCRPQYFFQOWJMY-LLVKDONJSA-N 1 1 238.262 2.386 20 5 BEBDMO CC[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885984145 592122204 /nfs/dbraw/zinc/12/22/04/592122204.db2.gz YJAFHRNYWGUOKC-LLVKDONJSA-N 1 1 235.287 2.364 20 5 BEBDMO CC[C@H](C)C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886005399 592128721 /nfs/dbraw/zinc/12/87/21/592128721.db2.gz ADHGSFAKNFNLJO-JTQLQIEISA-N 1 1 237.303 2.468 20 5 BEBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886032569 592136790 /nfs/dbraw/zinc/13/67/90/592136790.db2.gz JCYHEDXBJNHKMR-ZJUUUORDSA-N 1 1 235.287 2.220 20 5 BEBDMO C[N@@H+](CCC1CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886081691 592144242 /nfs/dbraw/zinc/14/42/42/592144242.db2.gz VTTUIPGRJZOOHJ-UHFFFAOYSA-N 1 1 235.287 2.222 20 5 BEBDMO CCc1ccc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC000930564834 633899906 /nfs/dbraw/zinc/89/99/06/633899906.db2.gz OHBIMFRXZHCDTQ-CQSZACIVSA-N 1 1 248.326 2.315 20 5 BEBDMO Cc1ccc(C[N@H+](C)CC[N+](=O)[O-])cc1C ZINC000930669026 634010429 /nfs/dbraw/zinc/01/04/29/634010429.db2.gz NWUVQZLJWFJSAA-UHFFFAOYSA-N 1 1 222.288 2.012 20 5 BEBDMO Cc1ccc(C[N@@H+](C)CC[N+](=O)[O-])cc1C ZINC000930669026 634010434 /nfs/dbraw/zinc/01/04/34/634010434.db2.gz NWUVQZLJWFJSAA-UHFFFAOYSA-N 1 1 222.288 2.012 20 5 BEBDMO O=[N+]([O-])CC[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000899886921 637148224 /nfs/dbraw/zinc/14/82/24/637148224.db2.gz XBSIWXOUDZLAKN-CYBMUJFWSA-N 1 1 246.310 2.490 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000899886921 637148227 /nfs/dbraw/zinc/14/82/27/637148227.db2.gz XBSIWXOUDZLAKN-CYBMUJFWSA-N 1 1 246.310 2.490 20 5 BEBDMO O=[N+]([O-])CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000899886922 637148428 /nfs/dbraw/zinc/14/84/28/637148428.db2.gz XBSIWXOUDZLAKN-ZDUSSCGKSA-N 1 1 246.310 2.490 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000899886922 637148432 /nfs/dbraw/zinc/14/84/32/637148432.db2.gz XBSIWXOUDZLAKN-ZDUSSCGKSA-N 1 1 246.310 2.490 20 5 BEBDMO O=[N+]([O-])CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000905035507 637555906 /nfs/dbraw/zinc/55/59/06/637555906.db2.gz FKONHZVTZZYLEH-UHFFFAOYSA-N 1 1 249.097 2.360 20 5 BEBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000931746684 640344014 /nfs/dbraw/zinc/34/40/14/640344014.db2.gz KHQHXJBTDGKDAW-WCQYABFASA-N 1 1 234.299 2.346 20 5 BEBDMO CC[C@@H](C)C[N@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000174944587 642639681 /nfs/dbraw/zinc/63/96/81/642639681.db2.gz SAIUFEFFTYWIFA-SNVBAGLBSA-N 1 1 240.307 2.117 20 5 BEBDMO CC[C@@H](C)C[N@@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000174944587 642639689 /nfs/dbraw/zinc/63/96/89/642639689.db2.gz SAIUFEFFTYWIFA-SNVBAGLBSA-N 1 1 240.307 2.117 20 5 BEBDMO CCC[N@@H+](CC[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000929144443 645970024 /nfs/dbraw/zinc/97/00/24/645970024.db2.gz FOIGTTLJCGZMSI-UHFFFAOYSA-N 1 1 236.315 2.484 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000929290552 646065404 /nfs/dbraw/zinc/06/54/04/646065404.db2.gz WRUUJLXWXUDELS-AWEZNQCLSA-N 1 1 248.326 2.360 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000929380109 646104155 /nfs/dbraw/zinc/10/41/55/646104155.db2.gz XYJUHAPNPJZYBV-UHFFFAOYSA-N 1 1 222.288 2.094 20 5 BEBDMO CC(C)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929400495 646109316 /nfs/dbraw/zinc/10/93/16/646109316.db2.gz BGGCHCYXVCMUFM-UHFFFAOYSA-N 1 1 236.315 2.421 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCCC2(CCCCC2)C1 ZINC000929625117 646208968 /nfs/dbraw/zinc/20/89/68/646208968.db2.gz UWVPIIJZDVLBRO-UHFFFAOYSA-N 1 1 226.320 2.309 20 5 BEBDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929647771 646219356 /nfs/dbraw/zinc/21/93/56/646219356.db2.gz BLENQWQXJNNTMD-CQSZACIVSA-N 1 1 248.326 2.279 20 5 BEBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC[N+](=O)[O-] ZINC000929653459 646221725 /nfs/dbraw/zinc/22/17/25/646221725.db2.gz BXSZJBYLAMOBFE-YPMHNXCESA-N 1 1 234.299 2.141 20 5 BEBDMO O=[N+]([O-])CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000929889981 646367960 /nfs/dbraw/zinc/36/79/60/646367960.db2.gz KSRIKUCDOZGQOT-AWEZNQCLSA-N 1 1 246.310 2.415 20 5 BEBDMO CC[N@@H+]1CC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000712592857 712435628 /nfs/dbraw/zinc/43/56/28/712435628.db2.gz AMUQQYKYGLTSSE-QMMMGPOBSA-N 1 1 241.316 2.162 20 5 BEBDMO CC[N@H+]1CC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000712592857 712435629 /nfs/dbraw/zinc/43/56/29/712435629.db2.gz AMUQQYKYGLTSSE-QMMMGPOBSA-N 1 1 241.316 2.162 20 5 BEBDMO CC[N@H+]1CC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000712597621 712435849 /nfs/dbraw/zinc/43/58/49/712435849.db2.gz YWTUNEGPGPMJBP-JTQLQIEISA-N 1 1 235.287 2.101 20 5 BEBDMO Cc1cc(NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000712609633 712437621 /nfs/dbraw/zinc/43/76/21/712437621.db2.gz WAQFWELHUAZRFL-NSHDSACASA-N 1 1 235.287 2.019 20 5 BEBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000719620770 712817667 /nfs/dbraw/zinc/81/76/67/712817667.db2.gz AAVWDNWOMOGBBO-JQWIXIFHSA-N 1 1 249.314 2.408 20 5 BEBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000719620773 712817662 /nfs/dbraw/zinc/81/76/62/712817662.db2.gz AAVWDNWOMOGBBO-ZYHUDNBSSA-N 1 1 249.314 2.408 20 5 BEBDMO CCCC[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009475 969333378 /nfs/dbraw/zinc/33/33/78/969333378.db2.gz WKKVOZVQYVARIE-QWRGUYRKSA-N 1 1 214.309 2.164 20 5 BEBDMO C[N@@H+](CC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038372 969356985 /nfs/dbraw/zinc/35/69/85/969356985.db2.gz YJCBEXMIMLIGOK-WDEREUQCSA-N 1 1 228.336 2.410 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](F)CC2)C1 ZINC001169014060 969342926 /nfs/dbraw/zinc/34/29/26/969342926.db2.gz YQYJAIHIWDBPFH-UTUOFQBUSA-N 1 1 244.310 2.256 20 5 BEBDMO CC1(C)[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169038484 969356677 /nfs/dbraw/zinc/35/66/77/969356677.db2.gz ZCJAYPDREYQOCN-WHOHXGKFSA-N 1 1 238.331 2.020 20 5 BEBDMO CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036828 969356692 /nfs/dbraw/zinc/35/66/92/969356692.db2.gz QEUMWEMISFMEFJ-IJLUTSLNSA-N 1 1 226.320 2.306 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC3(CCC3)C2)C1 ZINC001169037566 969356778 /nfs/dbraw/zinc/35/67/78/969356778.db2.gz SOFBTTCXSKHVQC-RYUDHWBXSA-N 1 1 238.331 2.308 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC3CCC2CC3)C1 ZINC001169037496 969357003 /nfs/dbraw/zinc/35/70/03/969357003.db2.gz RZKBMMRCBHDYAH-POOIEITISA-N 1 1 238.331 2.306 20 5 BEBDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169046850 969363412 /nfs/dbraw/zinc/36/34/12/969363412.db2.gz NTGXOOAQXJHDBB-SDDRHHMPSA-N 1 1 238.331 2.306 20 5 BEBDMO CC1(C)CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026328 969366352 /nfs/dbraw/zinc/36/63/52/969366352.db2.gz KWRBLQVNESJQRZ-MNOVXSKESA-N 1 1 226.320 2.164 20 5 BEBDMO Cn1cc[nH+]c1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210948734 970086546 /nfs/dbraw/zinc/08/65/46/970086546.db2.gz AEOLXCCOLBLMKQ-UHFFFAOYSA-N 1 1 236.206 2.211 20 5 BEBDMO Cc1ccc([N+](=O)[O-])cc1Nc1c[nH+]ncc1N ZINC001211287133 970215010 /nfs/dbraw/zinc/21/50/10/970215010.db2.gz FMEBIHQOKOGKMS-UHFFFAOYSA-N 1 1 245.242 2.019 20 5 BEBDMO CC[N@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763676 975064178 /nfs/dbraw/zinc/06/41/78/975064178.db2.gz YYHNGNUSHGMNKA-GFCCVEGCSA-N 1 1 236.271 2.068 20 5 BEBDMO C[C@H](C[N+](C)(C)C)Oc1ccc2nc[nH]c2c1 ZINC001226930253 975159816 /nfs/dbraw/zinc/15/98/16/975159816.db2.gz QQUTWZCLSDMIGG-SNVBAGLBSA-N 1 1 234.323 2.036 20 5 BEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCF ZINC001173238448 975161205 /nfs/dbraw/zinc/16/12/05/975161205.db2.gz SRESRRQYXFTXSI-JTQLQIEISA-N 1 1 240.278 2.427 20 5 BEBDMO Cc1cccc2nc(O[C@H](C)C[N+](C)(C)C)[nH]c21 ZINC001227267504 975345196 /nfs/dbraw/zinc/34/51/96/975345196.db2.gz DGQUCFROKARRRA-LLVKDONJSA-N 1 1 248.350 2.345 20 5 BEBDMO Cc1noc(C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000595291989 348213970 /nfs/dbraw/zinc/21/39/70/348213970.db2.gz NTGUWZGNQKUJEN-UHFFFAOYSA-N 1 1 239.275 2.123 20 5 BEBDMO Cc1noc(C[N@@H+](C)CCC(C)C)c1[N+](=O)[O-] ZINC000595293358 348215389 /nfs/dbraw/zinc/21/53/89/348215389.db2.gz LOJDTLLRQZTPJW-UHFFFAOYSA-N 1 1 241.291 2.369 20 5 BEBDMO Cc1noc(C[N@H+](C)CCC(C)C)c1[N+](=O)[O-] ZINC000595293358 348215391 /nfs/dbraw/zinc/21/53/91/348215391.db2.gz LOJDTLLRQZTPJW-UHFFFAOYSA-N 1 1 241.291 2.369 20 5 BEBDMO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595304541 348221491 /nfs/dbraw/zinc/22/14/91/348221491.db2.gz VWVUUYBXOMPIQI-UHFFFAOYSA-N 1 1 239.275 2.266 20 5 BEBDMO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595304541 348221493 /nfs/dbraw/zinc/22/14/93/348221493.db2.gz VWVUUYBXOMPIQI-UHFFFAOYSA-N 1 1 239.275 2.266 20 5 BEBDMO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCC1 ZINC000595319424 348225721 /nfs/dbraw/zinc/22/57/21/348225721.db2.gz AVWWLIRVEZSVRF-UHFFFAOYSA-N 1 1 239.275 2.266 20 5 BEBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCC1 ZINC000595319424 348225722 /nfs/dbraw/zinc/22/57/22/348225722.db2.gz AVWWLIRVEZSVRF-UHFFFAOYSA-N 1 1 239.275 2.266 20 5 BEBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595342373 348233292 /nfs/dbraw/zinc/23/32/92/348233292.db2.gz CARWLUJWZXIHNZ-VXNVDRBHSA-N 1 1 239.275 2.122 20 5 BEBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595342370 348233393 /nfs/dbraw/zinc/23/33/93/348233393.db2.gz CARWLUJWZXIHNZ-APPZFPTMSA-N 1 1 239.275 2.122 20 5 BEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595806752 348348327 /nfs/dbraw/zinc/34/83/27/348348327.db2.gz FYIPPRBVUYMWRU-VXGBXAGGSA-N 1 1 232.283 2.437 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808330 348349003 /nfs/dbraw/zinc/34/90/03/348349003.db2.gz CSLJSNPBMVMQHQ-JQWIXIFHSA-N 1 1 232.283 2.437 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595810020 348349788 /nfs/dbraw/zinc/34/97/88/348349788.db2.gz VRVYGQNRICPYIY-RYUDHWBXSA-N 1 1 232.283 2.437 20 5 BEBDMO C[C@H]1C[C@@H]1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354434 349164865 /nfs/dbraw/zinc/16/48/65/349164865.db2.gz VPVXOSWSMLFGAV-VHSXEESVSA-N 1 1 247.298 2.004 20 5 BEBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343569857 350976224 /nfs/dbraw/zinc/97/62/24/350976224.db2.gz YTPRUKHHKREOLF-ZWNOBZJWSA-N 1 1 249.314 2.489 20 5 BEBDMO CC(C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282381826 188032105 /nfs/dbraw/zinc/03/21/05/188032105.db2.gz GCQSFBZATWWHHX-UHFFFAOYSA-N 1 1 222.288 2.478 20 5 BEBDMO CC(C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000138469543 358904649 /nfs/dbraw/zinc/90/46/49/358904649.db2.gz HOUVQAHUZOIJGO-UHFFFAOYSA-N 1 1 236.271 2.198 20 5 BEBDMO CC(C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000138469543 358904651 /nfs/dbraw/zinc/90/46/51/358904651.db2.gz HOUVQAHUZOIJGO-UHFFFAOYSA-N 1 1 236.271 2.198 20 5 BEBDMO C[C@@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795060 360088609 /nfs/dbraw/zinc/08/86/09/360088609.db2.gz GWHFYDWMNAZFDJ-MNOVXSKESA-N 1 1 249.314 2.489 20 5 BEBDMO CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214212 201154534 /nfs/dbraw/zinc/15/45/34/201154534.db2.gz XRQLUUJWRJAGDU-UHFFFAOYSA-N 1 1 238.287 2.445 20 5 BEBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000309965968 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CC[C@@H]1C[N@@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000549641659 388396435 /nfs/dbraw/zinc/39/64/35/388396435.db2.gz VRHSLEZVOXNODS-LLVKDONJSA-N 1 1 249.314 2.125 20 5 BEBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000549641660 388396826 /nfs/dbraw/zinc/39/68/26/388396826.db2.gz VRHSLEZVOXNODS-NSHDSACASA-N 1 1 249.314 2.125 20 5 BEBDMO CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000065684168 388697085 /nfs/dbraw/zinc/69/70/85/388697085.db2.gz FWYRKLVNWYDPLY-UHFFFAOYSA-N 1 1 208.261 2.437 20 5 BEBDMO C[C@@H]1[C@H](C)N(c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356796653 132271816 /nfs/dbraw/zinc/27/18/16/132271816.db2.gz RDGCQBCZFGXMLC-MNOVXSKESA-N 1 1 249.314 2.124 20 5 BEBDMO CC[N@H+]1CC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC000090459506 170014516 /nfs/dbraw/zinc/01/45/16/170014516.db2.gz YYINYPJMPZOOKZ-SNVBAGLBSA-N 1 1 236.271 2.068 20 5 BEBDMO COCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266624970 174284124 /nfs/dbraw/zinc/28/41/24/174284124.db2.gz HCLSVKSOUSHOLL-SNVBAGLBSA-N 1 1 238.287 2.234 20 5 BEBDMO COc1cc([N+](=O)[O-])ccc1Cn1cc[nH+]c1C ZINC000362341156 175017628 /nfs/dbraw/zinc/01/76/28/175017628.db2.gz VMUSOCSRDFGZKZ-UHFFFAOYSA-N 1 1 247.254 2.157 20 5 BEBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000293525753 176294192 /nfs/dbraw/zinc/29/41/92/176294192.db2.gz WLPWHAUABDDJLV-GHMZBOCLSA-N 1 1 234.299 2.478 20 5 BEBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263785278 177165498 /nfs/dbraw/zinc/16/54/98/177165498.db2.gz ZQYMIIAQSSPVEK-JTQLQIEISA-N 1 1 220.272 2.437 20 5 BEBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293405622 177265869 /nfs/dbraw/zinc/26/58/69/177265869.db2.gz MAGCNCLIQVJUFS-UWVGGRQHSA-N 1 1 220.272 2.435 20 5 BEBDMO CC[C@@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337324257 490329714 /nfs/dbraw/zinc/32/97/14/490329714.db2.gz UFGFPUSSIGGEEV-SECBINFHSA-N 1 1 235.287 2.146 20 5 BEBDMO C[N@@H+](CCCCc1ccccc1)CC[N+](=O)[O-] ZINC000791052757 583384724 /nfs/dbraw/zinc/38/47/24/583384724.db2.gz BWQHPSJGVYUMAB-UHFFFAOYSA-N 1 1 236.315 2.218 20 5 BEBDMO CCC[N@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000727820815 583777782 /nfs/dbraw/zinc/77/77/82/583777782.db2.gz CYYSSWMEHAJZFA-UHFFFAOYSA-N 1 1 240.307 2.098 20 5 BEBDMO CCC[N@@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000727820815 583777783 /nfs/dbraw/zinc/77/77/83/583777783.db2.gz CYYSSWMEHAJZFA-UHFFFAOYSA-N 1 1 240.307 2.098 20 5 BEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761090286 585407933 /nfs/dbraw/zinc/40/79/33/585407933.db2.gz HWSVWTKNNWZFNW-JOYOIKCWSA-N 1 1 248.282 2.198 20 5 BEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761090286 585407934 /nfs/dbraw/zinc/40/79/34/585407934.db2.gz HWSVWTKNNWZFNW-JOYOIKCWSA-N 1 1 248.282 2.198 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000787720733 585914470 /nfs/dbraw/zinc/91/44/70/585914470.db2.gz ZWFGAHBZCSPHGM-AWEZNQCLSA-N 1 1 248.326 2.360 20 5 BEBDMO C[N@H+](CC[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000791052864 585972623 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CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000814938861 644947721 /nfs/dbraw/zinc/94/77/21/644947721.db2.gz WYKXOKVVPSJFAZ-NSHDSACASA-N 1 1 249.314 2.125 20 5 BEBDMO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000929376979 646103847 /nfs/dbraw/zinc/10/38/47/646103847.db2.gz DTPYBGXBBZADAJ-UHFFFAOYSA-N 1 1 240.278 2.313 20 5 BEBDMO Cc1ccccc1[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929458732 646126662 /nfs/dbraw/zinc/12/66/62/646126662.db2.gz QVZHSEMOBDDTRI-GFCCVEGCSA-N 1 1 234.299 2.061 20 5 BEBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[N+](=O)[O-] ZINC000929653457 646222047 /nfs/dbraw/zinc/22/20/47/646222047.db2.gz BXSZJBYLAMOBFE-DGCLKSJQSA-N 1 1 234.299 2.141 20 5 BEBDMO C[N@H+](CC[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC000929770033 646301251 /nfs/dbraw/zinc/30/12/51/646301251.db2.gz SZEHDYGVSVUJFG-UHFFFAOYSA-N 1 1 234.255 2.141 20 5 BEBDMO C[N@@H+](CC[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC000929770033 646301256 /nfs/dbraw/zinc/30/12/56/646301256.db2.gz SZEHDYGVSVUJFG-UHFFFAOYSA-N 1 1 234.255 2.141 20 5 BEBDMO CC1(C)c2ccccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000930182250 646482026 /nfs/dbraw/zinc/48/20/26/646482026.db2.gz NAONKPLWSXMZEX-UHFFFAOYSA-N 1 1 234.299 2.057 20 5 BEBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712595125 712436305 /nfs/dbraw/zinc/43/63/05/712436305.db2.gz PCXOBUIPAKDCQU-GFCCVEGCSA-N 1 1 235.287 2.101 20 5 BEBDMO Cc1ccc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000712609020 712437392 /nfs/dbraw/zinc/43/73/92/712437392.db2.gz VDZKHWGBRGWZGT-SNVBAGLBSA-N 1 1 235.287 2.019 20 5 BEBDMO CC[N@@H+](C(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009686 969333116 /nfs/dbraw/zinc/33/31/16/969333116.db2.gz XGRYNJGKBDVLLS-GHMZBOCLSA-N 1 1 214.309 2.162 20 5 BEBDMO C[N@@H+](C1CC(F)(F)C1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009649 969333349 /nfs/dbraw/zinc/33/33/49/969333349.db2.gz WVHVEVVYIBVRJI-DTWKUNHWSA-N 1 1 248.273 2.161 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC23CC3)C1 ZINC001169005679 969330502 /nfs/dbraw/zinc/33/05/02/969330502.db2.gz CDVMNGRAXLJDNX-MNOVXSKESA-N 1 1 224.304 2.060 20 5 BEBDMO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009811 969335181 /nfs/dbraw/zinc/33/51/81/969335181.db2.gz YHCLKYUSYLUGIC-GRYCIOLGSA-N 1 1 226.320 2.164 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](F)CC2)C1 ZINC001169014354 969341017 /nfs/dbraw/zinc/34/10/17/969341017.db2.gz YQYJAIHIWDBPFH-WOPDTQHZSA-N 1 1 244.310 2.256 20 5 BEBDMO C[C@H]1C[C@@H](CF)[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014040 969341761 /nfs/dbraw/zinc/34/17/61/969341761.db2.gz YHRSSPOBIUKNCZ-USZNOCQGSA-N 1 1 244.310 2.112 20 5 BEBDMO CC1CC([N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014004 969342845 /nfs/dbraw/zinc/34/28/45/969342845.db2.gz XOAZHOZIQNPJKU-UPOSSJBDSA-N 1 1 226.320 2.162 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](CF)C2)C1 ZINC001169034973 969351944 /nfs/dbraw/zinc/35/19/44/969351944.db2.gz JDRSTHZANQUKMI-GRYCIOLGSA-N 1 1 244.310 2.113 20 5 BEBDMO C[N@@H+](CC1CCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037514 969357601 /nfs/dbraw/zinc/35/76/01/969357601.db2.gz SAGGHOYXWCOSCE-RYUDHWBXSA-N 1 1 226.320 2.164 20 5 BEBDMO C[N@@H+](CC1CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600824 969743121 /nfs/dbraw/zinc/74/31/21/969743121.db2.gz VLYNDRLHOBDAKT-AWEZNQCLSA-N 1 1 246.310 2.404 20 5 BEBDMO Cc1ccc(Nc2c[nH+]ncc2N)c([N+](=O)[O-])c1 ZINC001214167389 970449472 /nfs/dbraw/zinc/44/94/72/970449472.db2.gz JLUSUCVFGXSIHU-UHFFFAOYSA-N 1 1 245.242 2.019 20 5 BEBDMO C/C(=C\c1ccccc1)C[N@H+](C)CC[N+](=O)[O-] ZINC001351399193 982308459 /nfs/dbraw/zinc/30/84/59/982308459.db2.gz NDDHEGRJQOAJAQ-ZRDIBKRKSA-N 1 1 234.299 2.298 20 5 BEBDMO C/C(=C\c1ccccc1)C[N@@H+](C)CC[N+](=O)[O-] ZINC001351399193 982308471 /nfs/dbraw/zinc/30/84/71/982308471.db2.gz NDDHEGRJQOAJAQ-ZRDIBKRKSA-N 1 1 234.299 2.298 20 5 BEBDMO Cc1ccc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC001119810166 989413931 /nfs/dbraw/zinc/41/39/31/989413931.db2.gz KJPJPGFFDRGXEV-CYBMUJFWSA-N 1 1 234.299 2.061 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001262252540 992819024 /nfs/dbraw/zinc/81/90/24/992819024.db2.gz UVUITLVCGJEMPC-CKXPSTMWSA-N 1 1 246.310 2.441 20 5 BEBDMO Cc1cc(NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000059035243 178159962 /nfs/dbraw/zinc/15/99/62/178159962.db2.gz LQXHRSFKMCJUHZ-UHFFFAOYSA-N 1 1 249.314 2.409 20 5 BEBDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000600192869 342698144 /nfs/dbraw/zinc/69/81/44/342698144.db2.gz UVEOYQPXIYSQSX-PHIMTYICSA-N 1 1 248.282 2.055 20 5 BEBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000054128110 259327534 /nfs/dbraw/zinc/32/75/34/259327534.db2.gz CMUKBTFKKWENAP-UHFFFAOYSA-N 1 1 237.303 2.267 20 5 BEBDMO CC(C)(F)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601137436 346280324 /nfs/dbraw/zinc/28/03/24/346280324.db2.gz XVLGPHSTFUQVJV-UHFFFAOYSA-N 1 1 232.280 2.494 20 5 BEBDMO Cc1noc(C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595290839 348213914 /nfs/dbraw/zinc/21/39/14/348213914.db2.gz DVFGIPPTHULSBS-MRVPVSSYSA-N 1 1 239.275 2.266 20 5 BEBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595290839 348213915 /nfs/dbraw/zinc/21/39/15/348213915.db2.gz DVFGIPPTHULSBS-MRVPVSSYSA-N 1 1 239.275 2.266 20 5 BEBDMO Cc1noc(C[NH+]2C3CCC2CC3)c1[N+](=O)[O-] ZINC000595292358 348214592 /nfs/dbraw/zinc/21/45/92/348214592.db2.gz WXFLZLJXNLTPSL-UHFFFAOYSA-N 1 1 237.259 2.018 20 5 BEBDMO Cc1noc(C[N@@H+](C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000595309710 348223749 /nfs/dbraw/zinc/22/37/49/348223749.db2.gz ZCHBDFRVPUDHJR-UHFFFAOYSA-N 1 1 241.291 2.369 20 5 BEBDMO Cc1noc(C[N@H+](C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000595309710 348223752 /nfs/dbraw/zinc/22/37/52/348223752.db2.gz ZCHBDFRVPUDHJR-UHFFFAOYSA-N 1 1 241.291 2.369 20 5 BEBDMO Cc1noc(C[N@H+](C)CCC2CC2)c1[N+](=O)[O-] ZINC000595388380 348242989 /nfs/dbraw/zinc/24/29/89/348242989.db2.gz VAWYXEFDHXABQA-UHFFFAOYSA-N 1 1 239.275 2.123 20 5 BEBDMO Cc1noc(C[N@@H+](C)CCC2CC2)c1[N+](=O)[O-] ZINC000595388380 348242991 /nfs/dbraw/zinc/24/29/91/348242991.db2.gz VAWYXEFDHXABQA-UHFFFAOYSA-N 1 1 239.275 2.123 20 5 BEBDMO C[N@H+]1CCC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000309484389 350576443 /nfs/dbraw/zinc/57/64/43/350576443.db2.gz UUIVQPUSYWUDKT-QMMMGPOBSA-N 1 1 241.316 2.162 20 5 BEBDMO C[C@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343454566 350970395 /nfs/dbraw/zinc/97/03/95/350970395.db2.gz IOIIAXKYKKVRJN-WDEREUQCSA-N 1 1 249.314 2.489 20 5 BEBDMO Cc1ccc(NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000037647816 364378449 /nfs/dbraw/zinc/37/84/49/364378449.db2.gz TZDHIJGHZOUKIQ-NSHDSACASA-N 1 1 249.314 2.267 20 5 BEBDMO Cc1[nH+]ccn1CCOc1cccc([N+](=O)[O-])c1 ZINC000194112894 367248244 /nfs/dbraw/zinc/24/82/44/367248244.db2.gz BXSWXLKWGNNZTQ-UHFFFAOYSA-N 1 1 247.254 2.179 20 5 BEBDMO CC[N@H+]1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000021504700 371435986 /nfs/dbraw/zinc/43/59/86/371435986.db2.gz JFGZKENWDBLWRE-NSHDSACASA-N 1 1 249.314 2.491 20 5 BEBDMO CC1(C)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000602751792 371839102 /nfs/dbraw/zinc/83/91/02/371839102.db2.gz KDPIRCGNTJPHFZ-UHFFFAOYSA-N 1 1 220.272 2.437 20 5 BEBDMO CC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602803257 371842961 /nfs/dbraw/zinc/84/29/61/371842961.db2.gz AUJIZOSORCWKIY-SNVBAGLBSA-N 1 1 236.271 2.143 20 5 BEBDMO C[N@@H+](CCCF)CCc1cccc([N+](=O)[O-])c1 ZINC000282419847 385762519 /nfs/dbraw/zinc/76/25/19/385762519.db2.gz JHEJROJFVMQJDF-UHFFFAOYSA-N 1 1 240.278 2.429 20 5 BEBDMO CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282472630 385764446 /nfs/dbraw/zinc/76/44/46/385764446.db2.gz NZQPWMPZTYQUNC-UHFFFAOYSA-N 1 1 208.261 2.089 20 5 BEBDMO O=[N+]([O-])c1ccc(OC2C[NH+](CC3CC3)C2)cc1 ZINC000297423193 388552388 /nfs/dbraw/zinc/55/23/88/388552388.db2.gz NRTAUZOWICLQCK-UHFFFAOYSA-N 1 1 248.282 2.068 20 5 BEBDMO CC[N@@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000066373500 388682869 /nfs/dbraw/zinc/68/28/69/388682869.db2.gz WEFTUKZHOQPHFE-UHFFFAOYSA-N 1 1 241.266 2.098 20 5 BEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000356796654 132271812 /nfs/dbraw/zinc/27/18/12/132271812.db2.gz RDGCQBCZFGXMLC-QWRGUYRKSA-N 1 1 249.314 2.124 20 5 BEBDMO CC[C@H](C)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726032 171282209 /nfs/dbraw/zinc/28/22/09/171282209.db2.gz UCPWHRIRGBRGOG-JTQLQIEISA-N 1 1 249.314 2.394 20 5 BEBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000299616792 176175683 /nfs/dbraw/zinc/17/56/83/176175683.db2.gz IQTAJWMJAMAKGW-SNVBAGLBSA-N 1 1 220.272 2.437 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccoc1 ZINC000060942155 324053716 /nfs/dbraw/zinc/05/37/16/324053716.db2.gz AYZJGNBABLNERI-UHFFFAOYSA-N 1 1 232.239 2.478 20 5 BEBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000895739502 583714546 /nfs/dbraw/zinc/71/45/46/583714546.db2.gz FLWQEXISOFFHRZ-YUMQZZPRSA-N 1 1 241.316 2.161 20 5 BEBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000895739500 583714622 /nfs/dbraw/zinc/71/46/22/583714622.db2.gz FLWQEXISOFFHRZ-JGVFFNPUSA-N 1 1 241.316 2.161 20 5 BEBDMO C[C@@H]1CCCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738225790 585041863 /nfs/dbraw/zinc/04/18/63/585041863.db2.gz ULWMHZRPYCWEJL-SNVBAGLBSA-N 1 1 238.291 2.013 20 5 BEBDMO C[C@@H]1CCCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738225790 585041864 /nfs/dbraw/zinc/04/18/64/585041864.db2.gz ULWMHZRPYCWEJL-SNVBAGLBSA-N 1 1 238.291 2.013 20 5 BEBDMO NC(CC1CC1)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000742364051 585124734 /nfs/dbraw/zinc/12/47/34/585124734.db2.gz AEAREYYNIHYYGB-UHFFFAOYSA-N 1 1 249.270 2.393 20 5 BEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761100161 585409012 /nfs/dbraw/zinc/40/90/12/585409012.db2.gz WMMSDVHEEXJMKP-YPMHNXCESA-N 1 1 232.283 2.232 20 5 BEBDMO Cc1nn(C[N@@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000779864171 585769087 /nfs/dbraw/zinc/76/90/87/585769087.db2.gz FLBVJFVJRWMJJR-UHFFFAOYSA-N 1 1 240.307 2.035 20 5 BEBDMO Cc1nn(C[N@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000779864171 585769088 /nfs/dbraw/zinc/76/90/88/585769088.db2.gz FLBVJFVJRWMJJR-UHFFFAOYSA-N 1 1 240.307 2.035 20 5 BEBDMO Cc1nn(C[N@H+](C)[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000779860338 585769232 /nfs/dbraw/zinc/76/92/32/585769232.db2.gz XCNROUFPEMXYPJ-SNVBAGLBSA-N 1 1 240.307 2.034 20 5 BEBDMO C[N@H+](CC[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000791053369 585973169 /nfs/dbraw/zinc/97/31/69/585973169.db2.gz LGWIDASYGIBWID-UHFFFAOYSA-N 1 1 228.679 2.049 20 5 BEBDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000791053369 585973170 /nfs/dbraw/zinc/97/31/70/585973170.db2.gz LGWIDASYGIBWID-UHFFFAOYSA-N 1 1 228.679 2.049 20 5 BEBDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000791054154 585973298 /nfs/dbraw/zinc/97/32/98/585973298.db2.gz XZPMCYOGZQNPIN-STQMWFEESA-N 1 1 248.326 2.450 20 5 BEBDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000848515300 588388729 /nfs/dbraw/zinc/38/87/29/588388729.db2.gz XAJXUXVJPZJQJY-LDYMZIIASA-N 1 1 249.270 2.249 20 5 BEBDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000848515297 588388976 /nfs/dbraw/zinc/38/89/76/588388976.db2.gz XAJXUXVJPZJQJY-KWQFWETISA-N 1 1 249.270 2.249 20 5 BEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000851877577 588638749 /nfs/dbraw/zinc/63/87/49/588638749.db2.gz LQCKFWCWAQNVJA-GZMMTYOYSA-N 1 1 236.246 2.328 20 5 BEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000851877577 588638750 /nfs/dbraw/zinc/63/87/50/588638750.db2.gz LQCKFWCWAQNVJA-GZMMTYOYSA-N 1 1 236.246 2.328 20 5 BEBDMO CC1(C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886026063 592135877 /nfs/dbraw/zinc/13/58/77/592135877.db2.gz PGYHIIWTRIGXIY-UHFFFAOYSA-N 1 1 235.287 2.222 20 5 BEBDMO CC1=CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886186400 592172715 /nfs/dbraw/zinc/17/27/15/592172715.db2.gz XUGHQCCGMHAPKA-UHFFFAOYSA-N 1 1 233.271 2.142 20 5 BEBDMO CC1=CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886186400 592172716 /nfs/dbraw/zinc/17/27/16/592172716.db2.gz XUGHQCCGMHAPKA-UHFFFAOYSA-N 1 1 233.271 2.142 20 5 BEBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000309114314 631887894 /nfs/dbraw/zinc/88/78/94/631887894.db2.gz KTDATQQLAANGBX-MRVPVSSYSA-N 1 1 228.679 2.267 20 5 BEBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000930741908 634080819 /nfs/dbraw/zinc/08/08/19/634080819.db2.gz BTJCXFSTZWSOSG-GHMZBOCLSA-N 1 1 228.336 2.410 20 5 BEBDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000929161465 636864583 /nfs/dbraw/zinc/86/45/83/636864583.db2.gz ZVDVHZOEBQWCCS-QMMMGPOBSA-N 1 1 244.241 2.234 20 5 BEBDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929161465 636864586 /nfs/dbraw/zinc/86/45/86/636864586.db2.gz ZVDVHZOEBQWCCS-QMMMGPOBSA-N 1 1 244.241 2.234 20 5 BEBDMO COc1cc([C@H](C)[NH2+]CCF)cc([N+](=O)[O-])c1 ZINC000903168540 637352835 /nfs/dbraw/zinc/35/28/35/637352835.db2.gz XCPYCSIKJWFYBL-QMMMGPOBSA-N 1 1 242.250 2.224 20 5 BEBDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930295045 639687840 /nfs/dbraw/zinc/68/78/40/639687840.db2.gz CDFYGHGTNLONJO-SNVBAGLBSA-N 1 1 214.309 2.021 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000931067277 640055095 /nfs/dbraw/zinc/05/50/95/640055095.db2.gz OGSPBGDXWGXXJK-LBPRGKRZSA-N 1 1 226.320 2.308 20 5 BEBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000931746685 640343033 /nfs/dbraw/zinc/34/30/33/640343033.db2.gz KHQHXJBTDGKDAW-YPMHNXCESA-N 1 1 234.299 2.346 20 5 BEBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929694717 641401122 /nfs/dbraw/zinc/40/11/22/641401122.db2.gz ZEGOJGYQGLWOHG-GHMZBOCLSA-N 1 1 214.309 2.164 20 5 BEBDMO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1cccs1 ZINC000929339843 646083779 /nfs/dbraw/zinc/08/37/79/646083779.db2.gz OMEUZXDAGDIMCT-UHFFFAOYSA-N 1 1 228.317 2.235 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000929588762 646188088 /nfs/dbraw/zinc/18/80/88/646188088.db2.gz YORZKJRIIDBBFW-CQSZACIVSA-N 1 1 248.326 2.218 20 5 BEBDMO CCC1CCC([N@@H+](C)CC[N+](=O)[O-])CC1 ZINC000929780012 646309532 /nfs/dbraw/zinc/30/95/32/646309532.db2.gz QCAMCLNLFTVJOM-UHFFFAOYSA-N 1 1 214.309 2.164 20 5 BEBDMO O=[N+]([O-])CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000929889982 646367498 /nfs/dbraw/zinc/36/74/98/646367498.db2.gz KSRIKUCDOZGQOT-CQSZACIVSA-N 1 1 246.310 2.415 20 5 BEBDMO C[C@@H](c1ccccc1)[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000929906805 646370602 /nfs/dbraw/zinc/37/06/02/646370602.db2.gz YVPRGYNIUBSVHP-NSHDSACASA-N 1 1 234.299 2.489 20 5 BEBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC[N+](=O)[O-] ZINC000930005543 646393074 /nfs/dbraw/zinc/39/30/74/646393074.db2.gz MKPCZQJYHSSDMA-GHMZBOCLSA-N 1 1 214.309 2.164 20 5 BEBDMO CC[N@H+]1CC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000712597623 712436324 /nfs/dbraw/zinc/43/63/24/712436324.db2.gz YWTUNEGPGPMJBP-SNVBAGLBSA-N 1 1 235.287 2.101 20 5 BEBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000712602461 712437016 /nfs/dbraw/zinc/43/70/16/712437016.db2.gz AZNGXBBRQXYZQR-GFCCVEGCSA-N 1 1 249.314 2.409 20 5 BEBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000712602462 712437019 /nfs/dbraw/zinc/43/70/19/712437019.db2.gz AZNGXBBRQXYZQR-LBPRGKRZSA-N 1 1 249.314 2.409 20 5 BEBDMO Cc1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000712609018 712437351 /nfs/dbraw/zinc/43/73/51/712437351.db2.gz VDZKHWGBRGWZGT-JTQLQIEISA-N 1 1 235.287 2.019 20 5 BEBDMO C[C@@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719578062 712812032 /nfs/dbraw/zinc/81/20/32/712812032.db2.gz MHPBAROIEDIXPB-NXEZZACHSA-N 1 1 235.287 2.099 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000719623936 712814112 /nfs/dbraw/zinc/81/41/12/712814112.db2.gz KDFNIHSCYBLKOX-GWCFXTLKSA-N 1 1 249.314 2.408 20 5 BEBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000719620772 712817491 /nfs/dbraw/zinc/81/74/91/712817491.db2.gz AAVWDNWOMOGBBO-PWSUYJOCSA-N 1 1 249.314 2.408 20 5 BEBDMO Cc1cccc(N[C@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000719622552 712817745 /nfs/dbraw/zinc/81/77/45/712817745.db2.gz GOPYAUOUFYVCSF-QWRGUYRKSA-N 1 1 249.314 2.408 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000719622534 712817899 /nfs/dbraw/zinc/81/78/99/712817899.db2.gz GHZUJQGDWKBOBW-QWRGUYRKSA-N 1 1 249.314 2.408 20 5 BEBDMO CC1(C)CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010220 969338904 /nfs/dbraw/zinc/33/89/04/969338904.db2.gz ZZGUOHAHRFOUBC-QWRGUYRKSA-N 1 1 226.320 2.306 20 5 BEBDMO C[C@H]1C[C@@H](CF)[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014041 969342777 /nfs/dbraw/zinc/34/27/77/969342777.db2.gz YHRSSPOBIUKNCZ-YFKTTZPYSA-N 1 1 244.310 2.112 20 5 BEBDMO CC1(C)CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026327 969365398 /nfs/dbraw/zinc/36/53/98/969365398.db2.gz KWRBLQVNESJQRZ-GHMZBOCLSA-N 1 1 226.320 2.164 20 5 BEBDMO Cc1nc2ccc(O[C@@H](C)C[N+](C)(C)C)cc2[nH]1 ZINC001228330112 963758433 /nfs/dbraw/zinc/75/84/33/963758433.db2.gz VGCIRYQGXZBYSS-JTQLQIEISA-N 1 1 248.350 2.345 20 5 BEBDMO CC1(C)CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010221 969337131 /nfs/dbraw/zinc/33/71/31/969337131.db2.gz ZZGUOHAHRFOUBC-WDEREUQCSA-N 1 1 226.320 2.306 20 5 BEBDMO C[C@]1(CF)CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169012505 969338353 /nfs/dbraw/zinc/33/83/53/969338353.db2.gz QSFYEWVZJNCHGG-GRYCIOLGSA-N 1 1 244.310 2.113 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001169011937 969339555 /nfs/dbraw/zinc/33/95/55/969339555.db2.gz NUHZLCKZWHHVKS-RVMXOQNASA-N 1 1 238.331 2.164 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCCC23CC3)C1 ZINC001169038648 969356234 /nfs/dbraw/zinc/35/62/34/969356234.db2.gz JUQLEKKLSXSEJV-VXGBXAGGSA-N 1 1 238.331 2.450 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCCC23CC3)C1 ZINC001169038647 969357255 /nfs/dbraw/zinc/35/72/55/969357255.db2.gz JUQLEKKLSXSEJV-RYUDHWBXSA-N 1 1 238.331 2.450 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC3(CCC3)C2)C1 ZINC001169037564 969357494 /nfs/dbraw/zinc/35/74/94/969357494.db2.gz SOFBTTCXSKHVQC-NEPJUHHUSA-N 1 1 238.331 2.308 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+](CC2CC2)C2CC2)C1 ZINC001169048298 969366051 /nfs/dbraw/zinc/36/60/51/969366051.db2.gz UIKABFBBSUQUKV-AAEUAGOBSA-N 1 1 238.331 2.306 20 5 BEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCF ZINC001254567906 969739626 /nfs/dbraw/zinc/73/96/26/969739626.db2.gz DATLSJDQSKKLFM-JTQLQIEISA-N 1 1 240.278 2.427 20 5 BEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001254594472 969743947 /nfs/dbraw/zinc/74/39/47/969743947.db2.gz RJKZMZIFHVQDNI-MBNYWOFBSA-N 1 1 244.294 2.014 20 5 BEBDMO C[C@H]1CC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593335 969744134 /nfs/dbraw/zinc/74/41/34/969744134.db2.gz KVPBZWPRDSSIBE-TVQRCGJNSA-N 1 1 232.283 2.156 20 5 BEBDMO C[N@@H+](C1CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596333 969745601 /nfs/dbraw/zinc/74/56/01/969745601.db2.gz COPQORWLKJCNJL-CYBMUJFWSA-N 1 1 232.283 2.156 20 5 BEBDMO CC[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226565 975074485 /nfs/dbraw/zinc/07/44/85/975074485.db2.gz MODBGFQUXVGXGF-JTQLQIEISA-N 1 1 222.288 2.478 20 5 BEBDMO C[N@H+]1CCC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227481384 975461349 /nfs/dbraw/zinc/46/13/49/975461349.db2.gz VCIVVHKTGOBNKE-JTQLQIEISA-N 1 1 236.271 2.068 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC001334159940 976344538 /nfs/dbraw/zinc/34/45/38/976344538.db2.gz KORHVEKVUVMNCA-GHMZBOCLSA-N 1 1 214.309 2.164 20 5 BEBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001354473289 1170010735 /nfs/dbraw/zinc/01/07/35/1170010735.db2.gz WXSMMTAEWYVSRH-SSDOTTSWSA-N 1 1 246.669 2.406 20 5 BEBDMO Cc1cc2[nH]ncc2cc1O[C@H](C)C[N+](C)(C)C ZINC001230225008 977134340 /nfs/dbraw/zinc/13/43/40/977134340.db2.gz FKUNLQQJZFREKG-LLVKDONJSA-N 1 1 248.350 2.345 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCCC12CCCCC2 ZINC001340679663 979060241 /nfs/dbraw/zinc/06/02/41/979060241.db2.gz SATUNRXVMPZYDZ-UHFFFAOYSA-N 1 1 212.293 2.062 20 5 BEBDMO Cc1cccc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)c1 ZINC001341025451 979197422 /nfs/dbraw/zinc/19/74/22/979197422.db2.gz OCHUGKIMRGIWBS-ZDUSSCGKSA-N 1 1 234.299 2.061 20 5 BEBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cc(Cl)ccc1F ZINC001459815418 985628532 /nfs/dbraw/zinc/62/85/32/985628532.db2.gz ADUBEBJQARRNOI-SSDOTTSWSA-N 1 1 246.669 2.406 20 5 BEBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)c1 ZINC001119811449 989411566 /nfs/dbraw/zinc/41/15/66/989411566.db2.gz YNDFGQKBGHUHQQ-CYBMUJFWSA-N 1 1 248.326 2.369 20 5 BEBDMO CC[C@H]1Cc2ccccc2C[N@H+]1CC[N+](=O)[O-] ZINC001119819702 989428247 /nfs/dbraw/zinc/42/82/47/989428247.db2.gz UOIDLUVCEOYDQY-ZDUSSCGKSA-N 1 1 234.299 2.100 20 5 BEBDMO O=[N+]([O-])CC[NH+]1CCC(c2ccsc2)CC1 ZINC001119822654 989428638 /nfs/dbraw/zinc/42/86/38/989428638.db2.gz KAROOJDOFDSQBJ-UHFFFAOYSA-N 1 1 240.328 2.204 20 5 BEBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1cc2ccccc2o1 ZINC001119843192 989434439 /nfs/dbraw/zinc/43/44/39/989434439.db2.gz BNDHLEPSZCHQJE-VIFPVBQESA-N 1 1 234.255 2.360 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC001262252542 992820935 /nfs/dbraw/zinc/82/09/35/992820935.db2.gz UVUITLVCGJEMPC-QIAWRQBBSA-N 1 1 246.310 2.441 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC1 ZINC000183266321 178271331 /nfs/dbraw/zinc/27/13/31/178271331.db2.gz MLYFHFITHWOSNT-UHFFFAOYSA-N 1 1 220.272 2.497 20 5 BEBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cs1 ZINC000600192861 342698273 /nfs/dbraw/zinc/69/82/73/342698273.db2.gz USRZMLDDKSIAIN-DTORHVGOSA-N 1 1 224.285 2.108 20 5 BEBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cs1 ZINC000600192861 342698275 /nfs/dbraw/zinc/69/82/75/342698275.db2.gz USRZMLDDKSIAIN-DTORHVGOSA-N 1 1 224.285 2.108 20 5 BEBDMO CSCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000176448337 365762582 /nfs/dbraw/zinc/76/25/82/365762582.db2.gz ILMDPWDKEXJDMO-UHFFFAOYSA-N 1 1 240.328 2.390 20 5 BEBDMO Cc1cn(Cc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000610889716 344160390 /nfs/dbraw/zinc/16/03/90/344160390.db2.gz HXRDPNXGJLBQHD-UHFFFAOYSA-N 1 1 231.255 2.456 20 5 BEBDMO CC(C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000175583983 187306118 /nfs/dbraw/zinc/30/61/18/187306118.db2.gz DOVVCOKHGURECB-UHFFFAOYSA-N 1 1 208.261 2.435 20 5 BEBDMO CC(C)=CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000343773620 350994596 /nfs/dbraw/zinc/99/45/96/350994596.db2.gz UGLIDEKRFCJWHW-UHFFFAOYSA-N 1 1 247.298 2.314 20 5 BEBDMO CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000063761914 356425931 /nfs/dbraw/zinc/42/59/31/356425931.db2.gz OUOQZRJIPXMCGU-UHFFFAOYSA-N 1 1 238.287 2.445 20 5 BEBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000420635273 192252352 /nfs/dbraw/zinc/25/23/52/192252352.db2.gz LYPNWAMLYMIFRF-LLVKDONJSA-N 1 1 249.314 2.125 20 5 BEBDMO Cc1noc(Cn2cc[nH+]c2C2CC2)c1[N+](=O)[O-] ZINC000600611274 371688564 /nfs/dbraw/zinc/68/85/64/371688564.db2.gz OZHDCZNUPUNPTF-UHFFFAOYSA-N 1 1 248.242 2.013 20 5 BEBDMO CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352710868 169204847 /nfs/dbraw/zinc/20/48/47/169204847.db2.gz UITLZJRVMSXVIE-UHFFFAOYSA-N 1 1 236.271 2.199 20 5 BEBDMO CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352710868 169204849 /nfs/dbraw/zinc/20/48/49/169204849.db2.gz UITLZJRVMSXVIE-UHFFFAOYSA-N 1 1 236.271 2.199 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C)C2)c1 ZINC000094659410 384309195 /nfs/dbraw/zinc/30/91/95/384309195.db2.gz LLORHOYTXRXTDI-LLVKDONJSA-N 1 1 249.314 2.267 20 5 BEBDMO C[C@@H](CF)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000308512442 384322888 /nfs/dbraw/zinc/32/28/88/384322888.db2.gz KTXJVYXOSQCWBA-LURJTMIESA-N 1 1 218.253 2.104 20 5 BEBDMO CC[N@@H+](C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000084726516 384866170 /nfs/dbraw/zinc/86/61/70/384866170.db2.gz OFZKLFAJXMLBNL-UHFFFAOYSA-N 1 1 237.303 2.267 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000335405424 386564380 /nfs/dbraw/zinc/56/43/80/386564380.db2.gz AAQCKDDHMKMBKQ-LLVKDONJSA-N 1 1 238.262 2.447 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](F)C1 ZINC000335405424 386564385 /nfs/dbraw/zinc/56/43/85/386564385.db2.gz AAQCKDDHMKMBKQ-LLVKDONJSA-N 1 1 238.262 2.447 20 5 BEBDMO C[N@@H+](CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000058938194 386607487 /nfs/dbraw/zinc/60/74/87/386607487.db2.gz AKAMKAJDRKNTLX-UHFFFAOYSA-N 1 1 235.287 2.101 20 5 BEBDMO C[C@H]([NH2+]Cc1ccno1)c1cccc([N+](=O)[O-])c1 ZINC000223668279 387062985 /nfs/dbraw/zinc/06/29/85/387062985.db2.gz CLDGVDWDYDENOV-VIFPVBQESA-N 1 1 247.254 2.434 20 5 BEBDMO CSCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000353868469 388375063 /nfs/dbraw/zinc/37/50/63/388375063.db2.gz PHQJLDRCUZZTSF-UHFFFAOYSA-N 1 1 246.357 2.451 20 5 BEBDMO CSCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000353868469 388375065 /nfs/dbraw/zinc/37/50/65/388375065.db2.gz PHQJLDRCUZZTSF-UHFFFAOYSA-N 1 1 246.357 2.451 20 5 BEBDMO CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351934956 134014189 /nfs/dbraw/zinc/01/41/89/134014189.db2.gz FDUXBBQXTYXBAA-UHFFFAOYSA-N 1 1 238.287 2.445 20 5 BEBDMO CC[N@H+]1CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC000090459502 170021896 /nfs/dbraw/zinc/02/18/96/170021896.db2.gz YYINYPJMPZOOKZ-JTQLQIEISA-N 1 1 236.271 2.068 20 5 BEBDMO CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000152197686 170390837 /nfs/dbraw/zinc/39/08/37/170390837.db2.gz XQMDWIPLAWHKBZ-UHFFFAOYSA-N 1 1 238.287 2.063 20 5 BEBDMO CCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000108658211 172028402 /nfs/dbraw/zinc/02/84/02/172028402.db2.gz YEPHUCOVKIKGSS-UHFFFAOYSA-N 1 1 231.255 2.402 20 5 BEBDMO COc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1C ZINC000070163319 323170037 /nfs/dbraw/zinc/17/00/37/323170037.db2.gz SHFYXBMYIGFPDF-UHFFFAOYSA-N 1 1 247.254 2.157 20 5 BEBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293525755 490268999 /nfs/dbraw/zinc/26/89/99/490268999.db2.gz WLPWHAUABDDJLV-MNOVXSKESA-N 1 1 234.299 2.478 20 5 BEBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CC[N+](=O)[O-])cc1 ZINC000791053002 583385441 /nfs/dbraw/zinc/38/54/41/583385441.db2.gz RLDMPECOHVSBNG-AWEZNQCLSA-N 1 1 248.326 2.279 20 5 BEBDMO CC(C)[C@@H]1[N@@H+](CC[N+](=O)[O-])CC12CCCC2 ZINC000899888189 584247483 /nfs/dbraw/zinc/24/74/83/584247483.db2.gz ZDHAIZDTISGECQ-NSHDSACASA-N 1 1 226.320 2.164 20 5 BEBDMO O=[N+]([O-])c1ncccc1Cn1cc[nH+]c1C1CC1 ZINC000902613132 584643348 /nfs/dbraw/zinc/64/33/48/584643348.db2.gz VAAZSYPBTQEXOF-UHFFFAOYSA-N 1 1 244.254 2.112 20 5 BEBDMO NC(CC1CC1)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000742364295 585124837 /nfs/dbraw/zinc/12/48/37/585124837.db2.gz BMFTTXNMYZJBLZ-UHFFFAOYSA-N 1 1 249.270 2.393 20 5 BEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000761095424 585408639 /nfs/dbraw/zinc/40/86/39/585408639.db2.gz OYRKNLDTQWBZOS-MFKMUULPSA-N 1 1 248.282 2.068 20 5 BEBDMO COc1ccc(C[N@H+]2CC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000761100116 585409130 /nfs/dbraw/zinc/40/91/30/585409130.db2.gz YHQCMWBPIDXZOJ-WDEREUQCSA-N 1 1 248.282 2.198 20 5 BEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000774536839 585660976 /nfs/dbraw/zinc/66/09/76/585660976.db2.gz MWYQZOTVDSARTG-WDEREUQCSA-N 1 1 249.314 2.124 20 5 BEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000774536806 585660984 /nfs/dbraw/zinc/66/09/84/585660984.db2.gz MPLOWHRSQOOCON-QWRGUYRKSA-N 1 1 249.314 2.124 20 5 BEBDMO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000791051588 585972876 /nfs/dbraw/zinc/97/28/76/585972876.db2.gz GAJFOCPXOQECAL-MNOVXSKESA-N 1 1 238.287 2.329 20 5 BEBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000791051588 585972877 /nfs/dbraw/zinc/97/28/77/585972877.db2.gz GAJFOCPXOQECAL-MNOVXSKESA-N 1 1 238.287 2.329 20 5 BEBDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000848514401 588388814 /nfs/dbraw/zinc/38/88/14/588388814.db2.gz NOYMBLSHUQXKPX-GZMMTYOYSA-N 1 1 249.270 2.249 20 5 BEBDMO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000851733086 588619905 /nfs/dbraw/zinc/61/99/05/588619905.db2.gz JLTHNIYJWYVCRF-UHFFFAOYSA-N 1 1 227.264 2.122 20 5 BEBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000851733086 588619906 /nfs/dbraw/zinc/61/99/06/588619906.db2.gz JLTHNIYJWYVCRF-UHFFFAOYSA-N 1 1 227.264 2.122 20 5 BEBDMO Cc1c(C[N@H+]2C[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000877649612 590384208 /nfs/dbraw/zinc/38/42/08/590384208.db2.gz CEJFTNQYNACWPD-TXEJJXNPSA-N 1 1 232.283 2.355 20 5 BEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CF)C2)cs1 ZINC000880295934 590990840 /nfs/dbraw/zinc/99/08/40/590990840.db2.gz QAVZQLYHMGQFPK-MRVPVSSYSA-N 1 1 244.291 2.448 20 5 BEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CF)C2)cs1 ZINC000880295934 590990842 /nfs/dbraw/zinc/99/08/42/590990842.db2.gz QAVZQLYHMGQFPK-MRVPVSSYSA-N 1 1 244.291 2.448 20 5 BEBDMO CC(C)[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956356 592114440 /nfs/dbraw/zinc/11/44/40/592114440.db2.gz NSDNLMVHNMZODM-UHFFFAOYSA-N 1 1 235.287 2.363 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[NH+](C1CC1)C1CC1 ZINC000886297630 592202573 /nfs/dbraw/zinc/20/25/73/592202573.db2.gz WNBICVUYADYKJL-UHFFFAOYSA-N 1 1 233.271 2.117 20 5 BEBDMO CC[C@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697433 633991674 /nfs/dbraw/zinc/99/16/74/633991674.db2.gz KAMOTUPWYRFZAE-VIFPVBQESA-N 1 1 248.242 2.055 20 5 BEBDMO CC[C@@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697435 636697958 /nfs/dbraw/zinc/69/79/58/636697958.db2.gz KAMOTUPWYRFZAE-SECBINFHSA-N 1 1 248.242 2.055 20 5 BEBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000929160261 636862044 /nfs/dbraw/zinc/86/20/44/636862044.db2.gz DPZQIOZIZZDHOJ-GFCCVEGCSA-N 1 1 238.262 2.239 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000929160261 636862047 /nfs/dbraw/zinc/86/20/47/636862047.db2.gz DPZQIOZIZZDHOJ-GFCCVEGCSA-N 1 1 238.262 2.239 20 5 BEBDMO CC(C)c1[nH+]ccn1Cc1cccnc1[N+](=O)[O-] ZINC000902310127 637293420 /nfs/dbraw/zinc/29/34/20/637293420.db2.gz IITRNFHMCDEKLW-UHFFFAOYSA-N 1 1 246.270 2.358 20 5 BEBDMO COc1cc([C@@H](C)[NH2+]CCF)cc([N+](=O)[O-])c1 ZINC000903168539 637353562 /nfs/dbraw/zinc/35/35/62/637353562.db2.gz XCPYCSIKJWFYBL-MRVPVSSYSA-N 1 1 242.250 2.224 20 5 BEBDMO Cc1cccc(C[N@H+](C)CC[N+](=O)[O-])c1C ZINC000930537825 639806265 /nfs/dbraw/zinc/80/62/65/639806265.db2.gz GOMGXUXHFUXNMK-UHFFFAOYSA-N 1 1 222.288 2.012 20 5 BEBDMO Cc1cccc(C[N@@H+](C)CC[N+](=O)[O-])c1C ZINC000930537825 639806266 /nfs/dbraw/zinc/80/62/66/639806266.db2.gz GOMGXUXHFUXNMK-UHFFFAOYSA-N 1 1 222.288 2.012 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000931067276 640056756 /nfs/dbraw/zinc/05/67/56/640056756.db2.gz OGSPBGDXWGXXJK-GFCCVEGCSA-N 1 1 226.320 2.308 20 5 BEBDMO C[C@@]1(c2ccccc2)CCC[N@H+]1CC[N+](=O)[O-] ZINC000931693659 640319892 /nfs/dbraw/zinc/31/98/92/640319892.db2.gz DXRNLWXRLRFPDN-ZDUSSCGKSA-N 1 1 234.299 2.274 20 5 BEBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929694730 641400027 /nfs/dbraw/zinc/40/00/27/641400027.db2.gz ZEGOJGYQGLWOHG-WDEREUQCSA-N 1 1 214.309 2.164 20 5 BEBDMO C[C@H]([N@@H+](C)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000914569087 641737486 /nfs/dbraw/zinc/73/74/86/641737486.db2.gz SBNNMSOTJJYTNM-VIFPVBQESA-N 1 1 240.307 2.115 20 5 BEBDMO C[C@@H]([N@H+](C)Cn1nccc1[N+](=O)[O-])C(C)(C)C ZINC000917429177 642061582 /nfs/dbraw/zinc/06/15/82/642061582.db2.gz QBOLQWZNLARULK-SECBINFHSA-N 1 1 240.307 2.115 20 5 BEBDMO C[C@@H]([N@@H+](C)Cn1nccc1[N+](=O)[O-])C(C)(C)C ZINC000917429177 642061589 /nfs/dbraw/zinc/06/15/89/642061589.db2.gz QBOLQWZNLARULK-SECBINFHSA-N 1 1 240.307 2.115 20 5 BEBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000929260201 646042794 /nfs/dbraw/zinc/04/27/94/646042794.db2.gz VIZKDHIOWGMACQ-IJLUTSLNSA-N 1 1 226.320 2.164 20 5 BEBDMO CC(C)[N@H+](CC[N+](=O)[O-])Cc1cccc(F)c1 ZINC000929341087 646088183 /nfs/dbraw/zinc/08/81/83/646088183.db2.gz KMULTDSRMBFLJF-UHFFFAOYSA-N 1 1 240.278 2.313 20 5 BEBDMO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1cccc(F)c1 ZINC000929341087 646088187 /nfs/dbraw/zinc/08/81/87/646088187.db2.gz KMULTDSRMBFLJF-UHFFFAOYSA-N 1 1 240.278 2.313 20 5 BEBDMO CC[C@H]1c2ccccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000929648985 646219335 /nfs/dbraw/zinc/21/93/35/646219335.db2.gz BKNQENIHAZEWRD-ZDUSSCGKSA-N 1 1 234.299 2.273 20 5 BEBDMO Cc1ccc(C[C@H](C)[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929685991 646243211 /nfs/dbraw/zinc/24/32/11/646243211.db2.gz RLADJBLGALETPL-LBPRGKRZSA-N 1 1 236.315 2.135 20 5 BEBDMO Cc1ccc([C@H](C)[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000791053762 712422199 /nfs/dbraw/zinc/42/21/99/712422199.db2.gz OYWHDXYNHXJLIR-NSHDSACASA-N 1 1 222.288 2.265 20 5 BEBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000712606672 712437488 /nfs/dbraw/zinc/43/74/88/712437488.db2.gz NPOXZIQANOULMO-GFCCVEGCSA-N 1 1 249.314 2.409 20 5 BEBDMO CC[N@H+]1CC[C@H]1CNc1cccc(C)c1[N+](=O)[O-] ZINC000712612817 712438182 /nfs/dbraw/zinc/43/81/82/712438182.db2.gz CXBWNQAWXBRXEL-NSHDSACASA-N 1 1 249.314 2.409 20 5 BEBDMO Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719622550 712817781 /nfs/dbraw/zinc/81/77/81/712817781.db2.gz GOPYAUOUFYVCSF-GHMZBOCLSA-N 1 1 249.314 2.408 20 5 BEBDMO CCCC[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009477 969335535 /nfs/dbraw/zinc/33/55/35/969335535.db2.gz WKKVOZVQYVARIE-WDEREUQCSA-N 1 1 214.309 2.164 20 5 BEBDMO C[N@@H+](C1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037718 969356494 /nfs/dbraw/zinc/35/64/94/969356494.db2.gz TWKHQDKJLKGBOH-CMPLNLGQSA-N 1 1 226.320 2.306 20 5 BEBDMO C[N@@H+](CC1CCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037513 969357483 /nfs/dbraw/zinc/35/74/83/969357483.db2.gz SAGGHOYXWCOSCE-NWDGAFQWSA-N 1 1 226.320 2.164 20 5 BEBDMO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169019835 969361464 /nfs/dbraw/zinc/36/14/64/969361464.db2.gz JVDSKROXNDDULC-GARJFASQSA-N 1 1 214.309 2.162 20 5 BEBDMO C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169026384 969365444 /nfs/dbraw/zinc/36/54/44/969365444.db2.gz LMXYZVQWBYHOCR-UWVGGRQHSA-N 1 1 214.309 2.162 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001169007441 969332827 /nfs/dbraw/zinc/33/28/27/969332827.db2.gz NUHZLCKZWHHVKS-FVCCEPFGSA-N 1 1 238.331 2.164 20 5 BEBDMO CC[N@@H+](C(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009688 969333868 /nfs/dbraw/zinc/33/38/68/969333868.db2.gz XGRYNJGKBDVLLS-QWRGUYRKSA-N 1 1 214.309 2.162 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC23CCCC3)C1 ZINC001169011019 969337697 /nfs/dbraw/zinc/33/76/97/969337697.db2.gz HJNXTSLUABWUON-NEPJUHHUSA-N 1 1 238.331 2.450 20 5 BEBDMO CC1CC([N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014002 969341414 /nfs/dbraw/zinc/34/14/14/969341414.db2.gz XOAZHOZIQNPJKU-BFUDSRACSA-N 1 1 226.320 2.162 20 5 BEBDMO CC1CC([N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014003 969343081 /nfs/dbraw/zinc/34/30/81/969343081.db2.gz XOAZHOZIQNPJKU-LVFLEHKBSA-N 1 1 226.320 2.162 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](CF)C2)C1 ZINC001169034976 969352786 /nfs/dbraw/zinc/35/27/86/969352786.db2.gz JDRSTHZANQUKMI-WOPDTQHZSA-N 1 1 244.310 2.113 20 5 BEBDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039920 969355322 /nfs/dbraw/zinc/35/53/22/969355322.db2.gz VVFCWGGKZAVJMK-XQHKEYJVSA-N 1 1 240.347 2.410 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCCC23CC3)C1 ZINC001169038645 969357043 /nfs/dbraw/zinc/35/70/43/969357043.db2.gz JUQLEKKLSXSEJV-NEPJUHHUSA-N 1 1 238.331 2.450 20 5 BEBDMO C[N@@H+](CC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038369 969357430 /nfs/dbraw/zinc/35/74/30/969357430.db2.gz YJCBEXMIMLIGOK-MNOVXSKESA-N 1 1 228.336 2.410 20 5 BEBDMO CC1(C)CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026330 969363599 /nfs/dbraw/zinc/36/35/99/969363599.db2.gz KWRBLQVNESJQRZ-WDEREUQCSA-N 1 1 226.320 2.164 20 5 BEBDMO Cc1cccc2nc(O[C@@H](C)C[N+](C)(C)C)[nH]c21 ZINC001227267505 975343349 /nfs/dbraw/zinc/34/33/49/975343349.db2.gz DGQUCFROKARRRA-NSHDSACASA-N 1 1 248.350 2.345 20 5 BEBDMO Cc1c[nH]c(Nc2ccccc2[N+](=O)[O-])[nH+]1 ZINC001340713563 979072167 /nfs/dbraw/zinc/07/21/67/979072167.db2.gz MHCOUESAZGIICP-UHFFFAOYSA-N 1 1 218.216 2.370 20 5 BEBDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC001262277779 992832099 /nfs/dbraw/zinc/83/20/99/992832099.db2.gz OGJOJTIAJIGJAA-TZMCWYRMSA-N 1 1 248.326 2.450 20 5 BEBDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC001262277778 992834330 /nfs/dbraw/zinc/83/43/30/992834330.db2.gz OGJOJTIAJIGJAA-OCCSQVGLSA-N 1 1 248.326 2.450 20 5 BEBDMO Cc1c[nH]c(Nc2ncc([N+](=O)[O-])cc2C)[nH+]1 ZINC001472725513 1170042616 /nfs/dbraw/zinc/04/26/16/1170042616.db2.gz GECBUJJMPIWSFV-UHFFFAOYSA-N 1 1 233.231 2.073 20 5 BEBDMO Cc1cc(NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000037647821 178170412 /nfs/dbraw/zinc/17/04/12/178170412.db2.gz XWTUIIYNLNDCLR-LLVKDONJSA-N 1 1 249.314 2.267 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+](C)C1CC1 ZINC000062010351 178272563 /nfs/dbraw/zinc/27/25/63/178272563.db2.gz ZIWYKEZSZICVPF-UHFFFAOYSA-N 1 1 249.314 2.409 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000600185337 342698109 /nfs/dbraw/zinc/69/81/09/342698109.db2.gz LFDLGFUDROYOOT-PHIMTYICSA-N 1 1 218.256 2.047 20 5 BEBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000274478826 398312347 /nfs/dbraw/zinc/31/23/47/398312347.db2.gz NSQLMTKZIOANFI-UHFFFAOYSA-N 1 1 249.314 2.125 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2C)c1 ZINC000228763610 398326979 /nfs/dbraw/zinc/32/69/79/398326979.db2.gz QWIQGJLKHPKWTD-LLVKDONJSA-N 1 1 249.314 2.409 20 5 BEBDMO CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168993 343283866 /nfs/dbraw/zinc/28/38/66/343283866.db2.gz JGKVAGPLXRTREQ-UHFFFAOYSA-N 1 1 235.243 2.188 20 5 BEBDMO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044411801 345058625 /nfs/dbraw/zinc/05/86/25/345058625.db2.gz PBLLOKOARCYSPG-JTQLQIEISA-N 1 1 247.298 2.243 20 5 BEBDMO Cc1noc(C[N@@H+](C)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000595293083 348215468 /nfs/dbraw/zinc/21/54/68/348215468.db2.gz XXHHJPZMVVDGNM-MRVPVSSYSA-N 1 1 239.275 2.122 20 5 BEBDMO Cc1noc(C[N@H+](C)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000595293083 348215471 /nfs/dbraw/zinc/21/54/71/348215471.db2.gz XXHHJPZMVVDGNM-MRVPVSSYSA-N 1 1 239.275 2.122 20 5 BEBDMO CC[C@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595365167 348231229 /nfs/dbraw/zinc/23/12/29/348231229.db2.gz YMSMODPGMKMFKC-ZETCQYMHSA-N 1 1 227.264 2.122 20 5 BEBDMO CC[C@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595365167 348231230 /nfs/dbraw/zinc/23/12/30/348231230.db2.gz YMSMODPGMKMFKC-ZETCQYMHSA-N 1 1 227.264 2.122 20 5 BEBDMO Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1F ZINC000310250343 180268515 /nfs/dbraw/zinc/26/85/15/180268515.db2.gz FRBGNDZFKXMSTH-UHFFFAOYSA-N 1 1 235.218 2.287 20 5 BEBDMO CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000328467692 350397777 /nfs/dbraw/zinc/39/77/77/350397777.db2.gz JZNXDFPUCVYESR-GFCCVEGCSA-N 1 1 249.314 2.491 20 5 BEBDMO CO[C@@H](C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000272820853 188376776 /nfs/dbraw/zinc/37/67/76/188376776.db2.gz PCAXCRJBIOWGDM-JTQLQIEISA-N 1 1 238.287 2.062 20 5 BEBDMO CCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000063756125 356424735 /nfs/dbraw/zinc/42/47/35/356424735.db2.gz UDPNXFDLCKJMKY-UHFFFAOYSA-N 1 1 238.287 2.315 20 5 BEBDMO C[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795059 360089495 /nfs/dbraw/zinc/08/94/95/360089495.db2.gz GWHFYDWMNAZFDJ-WDEREUQCSA-N 1 1 249.314 2.489 20 5 BEBDMO COCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000066378654 361218245 /nfs/dbraw/zinc/21/82/45/361218245.db2.gz JGVKHWBQSWSKHM-UHFFFAOYSA-N 1 1 238.287 2.063 20 5 BEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC1 ZINC000430196771 201152340 /nfs/dbraw/zinc/15/23/40/201152340.db2.gz SJRIXUGEHBHBCE-UHFFFAOYSA-N 1 1 236.271 2.198 20 5 BEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC1 ZINC000430196771 201152343 /nfs/dbraw/zinc/15/23/43/201152343.db2.gz SJRIXUGEHBHBCE-UHFFFAOYSA-N 1 1 236.271 2.198 20 5 BEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000602721261 371832710 /nfs/dbraw/zinc/83/27/10/371832710.db2.gz OZHDXNHOTUBKGX-TXEJJXNPSA-N 1 1 232.283 2.089 20 5 BEBDMO CC[N@@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000288376257 383877225 /nfs/dbraw/zinc/87/72/25/383877225.db2.gz KBTJNPNRAOPXDJ-UHFFFAOYSA-N 1 1 241.266 2.098 20 5 BEBDMO C[C@H]([NH2+]CCF)c1ccccc1[N+](=O)[O-] ZINC000308808594 384373298 /nfs/dbraw/zinc/37/32/98/384373298.db2.gz PMCSAUIDLWATBG-QMMMGPOBSA-N 1 1 212.224 2.215 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+](C)C2CC2)c1 ZINC000084726527 384864960 /nfs/dbraw/zinc/86/49/60/384864960.db2.gz WKRIMIWFZYSQDM-UHFFFAOYSA-N 1 1 249.314 2.409 20 5 BEBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC1CCC1)CC2 ZINC000408200147 385627384 /nfs/dbraw/zinc/62/73/84/385627384.db2.gz ZYBCGMUNLIPBOI-UHFFFAOYSA-N 1 1 247.298 2.148 20 5 BEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000267012439 386744515 /nfs/dbraw/zinc/74/45/15/386744515.db2.gz HVFJJTAONWKXHY-UHFFFAOYSA-N 1 1 224.235 2.328 20 5 BEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000267012439 386744523 /nfs/dbraw/zinc/74/45/23/386744523.db2.gz HVFJJTAONWKXHY-UHFFFAOYSA-N 1 1 224.235 2.328 20 5 BEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000046601918 388033321 /nfs/dbraw/zinc/03/33/21/388033321.db2.gz BOYRBJPKGYPDFU-UHFFFAOYSA-N 1 1 206.245 2.189 20 5 BEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000046601511 388034545 /nfs/dbraw/zinc/03/45/45/388034545.db2.gz NNBJLYQRYZENSD-UHFFFAOYSA-N 1 1 206.245 2.189 20 5 BEBDMO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000068913580 388717770 /nfs/dbraw/zinc/71/77/70/388717770.db2.gz NTLLRCZOSRGLJP-JTQLQIEISA-N 1 1 249.314 2.489 20 5 BEBDMO CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607992 388732453 /nfs/dbraw/zinc/73/24/53/388732453.db2.gz UCXPBRUQPRGRFG-UHFFFAOYSA-N 1 1 220.272 2.363 20 5 BEBDMO CC[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697335 170870520 /nfs/dbraw/zinc/87/05/20/170870520.db2.gz DBTLODARFCZQEI-SECBINFHSA-N 1 1 248.242 2.055 20 5 BEBDMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000221258736 173033029 /nfs/dbraw/zinc/03/30/29/173033029.db2.gz OHBHGKFFVGEVQS-GFCCVEGCSA-N 1 1 235.287 2.101 20 5 BEBDMO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000041014923 176874078 /nfs/dbraw/zinc/87/40/78/176874078.db2.gz UYNPISSFCKNDJM-VIFPVBQESA-N 1 1 246.270 2.169 20 5 BEBDMO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000299643828 177165297 /nfs/dbraw/zinc/16/52/97/177165297.db2.gz NJFDFCXWRSHFIL-JTQLQIEISA-N 1 1 220.272 2.437 20 5 BEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000761090459 585408068 /nfs/dbraw/zinc/40/80/68/585408068.db2.gz KEDKZQYQURQIMS-CMPLNLGQSA-N 1 1 218.256 2.189 20 5 BEBDMO C[C@H]1CC[N@H+](CC[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000791051589 585972712 /nfs/dbraw/zinc/97/27/12/585972712.db2.gz GAJFOCPXOQECAL-QWRGUYRKSA-N 1 1 238.287 2.329 20 5 BEBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000791051589 585972713 /nfs/dbraw/zinc/97/27/13/585972713.db2.gz GAJFOCPXOQECAL-QWRGUYRKSA-N 1 1 238.287 2.329 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000791052113 585972774 /nfs/dbraw/zinc/97/27/74/585972774.db2.gz LLZDDKJSFNOWDQ-UHFFFAOYSA-N 1 1 244.360 2.015 20 5 BEBDMO CCc1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)cc1 ZINC000791052820 585972906 /nfs/dbraw/zinc/97/29/06/585972906.db2.gz FKHSUCWCNXCRPY-UHFFFAOYSA-N 1 1 248.326 2.490 20 5 BEBDMO CCc1ccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)cc1 ZINC000791052820 585972907 /nfs/dbraw/zinc/97/29/07/585972907.db2.gz FKHSUCWCNXCRPY-UHFFFAOYSA-N 1 1 248.326 2.490 20 5 BEBDMO CC[C@H]1c2ccsc2CC[N@H+]1CC[N+](=O)[O-] ZINC000791053698 585973270 /nfs/dbraw/zinc/97/32/70/585973270.db2.gz MOTMCMWROGVFMM-JTQLQIEISA-N 1 1 240.328 2.334 20 5 BEBDMO CC[C@H]1c2ccsc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000791053698 585973271 /nfs/dbraw/zinc/97/32/71/585973271.db2.gz MOTMCMWROGVFMM-JTQLQIEISA-N 1 1 240.328 2.334 20 5 BEBDMO C[N@@H+](CCF)CCc1cccc([N+](=O)[O-])c1 ZINC000801602011 586265781 /nfs/dbraw/zinc/26/57/81/586265781.db2.gz SUESDDSJFOGVAK-UHFFFAOYSA-N 1 1 226.251 2.039 20 5 BEBDMO C[N@H+](CCC(C)(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000842631690 588047024 /nfs/dbraw/zinc/04/70/24/588047024.db2.gz PLBUIJZHEQFAIQ-UHFFFAOYSA-N 1 1 240.307 2.117 20 5 BEBDMO C[N@@H+](CCC(C)(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000842631690 588047026 /nfs/dbraw/zinc/04/70/26/588047026.db2.gz PLBUIJZHEQFAIQ-UHFFFAOYSA-N 1 1 240.307 2.117 20 5 BEBDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000848514404 588388830 /nfs/dbraw/zinc/38/88/30/588388830.db2.gz NOYMBLSHUQXKPX-LDYMZIIASA-N 1 1 249.270 2.249 20 5 BEBDMO CCCC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885930929 592108698 /nfs/dbraw/zinc/10/86/98/592108698.db2.gz LPMDRBMXZHEMHD-UHFFFAOYSA-N 1 1 223.276 2.222 20 5 BEBDMO C[C@H](C1CC1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885942994 592111897 /nfs/dbraw/zinc/11/18/97/592111897.db2.gz VKNBNCZAYQPULD-SECBINFHSA-N 1 1 235.287 2.220 20 5 BEBDMO C[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885944053 592113026 /nfs/dbraw/zinc/11/30/26/592113026.db2.gz JPWLDQYRHRLKLU-SNVBAGLBSA-N 1 1 235.287 2.364 20 5 BEBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)C ZINC000885981341 592120424 /nfs/dbraw/zinc/12/04/24/592120424.db2.gz CQWPTPKXEOOIQS-UHFFFAOYSA-N 1 1 237.303 2.468 20 5 BEBDMO CC[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886038448 592138112 /nfs/dbraw/zinc/13/81/12/592138112.db2.gz VSDMTZMGYJBCOT-SNVBAGLBSA-N 1 1 235.287 2.222 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000886097936 592147296 /nfs/dbraw/zinc/14/72/96/592147296.db2.gz HACYOFQUCNQBPB-NSHDSACASA-N 1 1 247.298 2.222 20 5 BEBDMO C[C@H]1[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886249097 592185263 /nfs/dbraw/zinc/18/52/63/592185263.db2.gz CPNULRMKQKUDFC-GMTAPVOTSA-N 1 1 249.314 2.466 20 5 BEBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000886249100 592185369 /nfs/dbraw/zinc/18/53/69/592185369.db2.gz CPNULRMKQKUDFC-VWYCJHECSA-N 1 1 249.314 2.466 20 5 BEBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886265158 592190090 /nfs/dbraw/zinc/19/00/90/592190090.db2.gz ABWUUHBMMCMFSG-UHFFFAOYSA-N 1 1 223.276 2.220 20 5 BEBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000309114315 631887388 /nfs/dbraw/zinc/88/73/88/631887388.db2.gz KTDATQQLAANGBX-QMMMGPOBSA-N 1 1 228.679 2.267 20 5 BEBDMO Cc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])cc1 ZINC000310955893 636723495 /nfs/dbraw/zinc/72/34/95/636723495.db2.gz SKDSUPLZGBMUER-UHFFFAOYSA-N 1 1 246.270 2.212 20 5 BEBDMO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1F ZINC000930848774 639944995 /nfs/dbraw/zinc/94/49/95/639944995.db2.gz IILWSLDDDBSLNV-NSHDSACASA-N 1 1 226.251 2.143 20 5 BEBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C(C)C ZINC000064111874 641307935 /nfs/dbraw/zinc/30/79/35/641307935.db2.gz CTKMXRYDRYGNBC-JTQLQIEISA-N 1 1 240.307 2.115 20 5 BEBDMO C[N@@H+](CCCF)Cc1cccc([N+](=O)[O-])c1 ZINC000766846348 644671171 /nfs/dbraw/zinc/67/11/71/644671171.db2.gz SSLWUXIAIQYUEU-UHFFFAOYSA-N 1 1 226.251 2.386 20 5 BEBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929685990 646244258 /nfs/dbraw/zinc/24/42/58/646244258.db2.gz RLADJBLGALETPL-GFCCVEGCSA-N 1 1 236.315 2.135 20 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KYYMCIWFVOLURL-JTQLQIEISA-N 1 1 235.287 2.019 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000719623943 712814346 /nfs/dbraw/zinc/81/43/46/712814346.db2.gz KDFNIHSCYBLKOX-MFKMUULPSA-N 1 1 249.314 2.408 20 5 BEBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000719622502 712817411 /nfs/dbraw/zinc/81/74/11/712817411.db2.gz FTJQZEHSAYWDRS-GHMZBOCLSA-N 1 1 249.314 2.408 20 5 BEBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000719622505 712817613 /nfs/dbraw/zinc/81/76/13/712817613.db2.gz FTJQZEHSAYWDRS-WDEREUQCSA-N 1 1 249.314 2.408 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](F)C2)C1 ZINC001169012339 969338654 /nfs/dbraw/zinc/33/86/54/969338654.db2.gz PETSIEIHKMXWOG-UTUOFQBUSA-N 1 1 244.310 2.256 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H](F)C2)C1 ZINC001169012338 969337263 /nfs/dbraw/zinc/33/72/63/969337263.db2.gz PETSIEIHKMXWOG-IJLUTSLNSA-N 1 1 244.310 2.256 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](F)C2)C1 ZINC001169012340 969340274 /nfs/dbraw/zinc/34/02/74/969340274.db2.gz PETSIEIHKMXWOG-WOPDTQHZSA-N 1 1 244.310 2.256 20 5 BEBDMO CC[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036838 969355888 /nfs/dbraw/zinc/35/58/88/969355888.db2.gz QEUMWEMISFMEFJ-UTUOFQBUSA-N 1 1 226.320 2.306 20 5 BEBDMO C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008243 969335606 /nfs/dbraw/zinc/33/56/06/969335606.db2.gz SKSXWUGSEIJGHA-GRYCIOLGSA-N 1 1 226.320 2.306 20 5 BEBDMO C[C@]1(CF)CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169012506 969337367 /nfs/dbraw/zinc/33/73/67/969337367.db2.gz QSFYEWVZJNCHGG-IJLUTSLNSA-N 1 1 244.310 2.113 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC23CCCC3)C1 ZINC001169011021 969337586 /nfs/dbraw/zinc/33/75/86/969337586.db2.gz HJNXTSLUABWUON-RYUDHWBXSA-N 1 1 238.331 2.450 20 5 BEBDMO C[C@]1(CF)CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169012508 969337743 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2.306 20 5 BEBDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169046852 969367122 /nfs/dbraw/zinc/36/71/22/969367122.db2.gz NTGXOOAQXJHDBB-TUAOUCFPSA-N 1 1 238.331 2.306 20 5 BEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001254594477 969744997 /nfs/dbraw/zinc/74/49/97/969744997.db2.gz RJKZMZIFHVQDNI-SCRDCRAPSA-N 1 1 244.294 2.014 20 5 BEBDMO C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593133 969745320 /nfs/dbraw/zinc/74/53/20/969745320.db2.gz IXIYYGJOAXSAML-QMTHXVAHSA-N 1 1 246.310 2.404 20 5 BEBDMO Cc1ccc2nc(O[C@@H](C)C[N+](C)(C)C)[nH]c2c1 ZINC001226508211 974931459 /nfs/dbraw/zinc/93/14/59/974931459.db2.gz IZPYIRQZNMDGGY-NSHDSACASA-N 1 1 248.350 2.345 20 5 BEBDMO Cc1noc(C[N@H+](C)CC2CCC2)c1[N+](=O)[O-] ZINC001198414372 982702315 /nfs/dbraw/zinc/70/23/15/982702315.db2.gz ORUGZDDSALMZNI-UHFFFAOYSA-N 1 1 239.275 2.123 20 5 BEBDMO Cc1noc(C[N@@H+](C)CC2CCC2)c1[N+](=O)[O-] ZINC001198414372 982702340 /nfs/dbraw/zinc/70/23/40/982702340.db2.gz ORUGZDDSALMZNI-UHFFFAOYSA-N 1 1 239.275 2.123 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001473888587 987603243 /nfs/dbraw/zinc/60/32/43/987603243.db2.gz XAALQTJKFOBBDA-GFCCVEGCSA-N 1 1 226.320 2.165 20 5 BEBDMO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)on1 ZINC000044986109 178026510 /nfs/dbraw/zinc/02/65/10/178026510.db2.gz FWOFOQDSGBSOQX-UHFFFAOYSA-N 1 1 247.254 2.181 20 5 BEBDMO Cc1cc(NC[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000221254575 178166578 /nfs/dbraw/zinc/16/65/78/178166578.db2.gz NEHSJNRQNTUSPN-LBPRGKRZSA-N 1 1 249.314 2.409 20 5 BEBDMO C[N@@H+](CCNc1sccc1[N+](=O)[O-])C1CC1 ZINC000309622251 342755969 /nfs/dbraw/zinc/75/59/69/342755969.db2.gz FODBEDCADXQWFC-UHFFFAOYSA-N 1 1 241.316 2.162 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccco1 ZINC000054978533 398282535 /nfs/dbraw/zinc/28/25/35/398282535.db2.gz JESBDVIAMOLEDJ-UHFFFAOYSA-N 1 1 232.239 2.478 20 5 BEBDMO CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000047701562 343565173 /nfs/dbraw/zinc/56/51/73/343565173.db2.gz RDVLYQQNUNDVEI-UHFFFAOYSA-N 1 1 208.261 2.437 20 5 BEBDMO CC[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595338210 348220557 /nfs/dbraw/zinc/22/05/57/348220557.db2.gz HLUVSKSRXDUHJY-SECBINFHSA-N 1 1 239.275 2.123 20 5 BEBDMO Cc1noc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595334757 348220686 /nfs/dbraw/zinc/22/06/86/348220686.db2.gz VVJZHRZHAMNCIC-JGVFFNPUSA-N 1 1 239.275 2.122 20 5 BEBDMO CC[C@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595306102 348222236 /nfs/dbraw/zinc/22/22/36/348222236.db2.gz KKQIYGUNLWPVNG-VIFPVBQESA-N 1 1 239.275 2.266 20 5 BEBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595342371 348233620 /nfs/dbraw/zinc/23/36/20/348233620.db2.gz CARWLUJWZXIHNZ-CBAPKCEASA-N 1 1 239.275 2.122 20 5 BEBDMO C[C@H]1C[C@H]1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354433 349164716 /nfs/dbraw/zinc/16/47/16/349164716.db2.gz VPVXOSWSMLFGAV-UWVGGRQHSA-N 1 1 247.298 2.004 20 5 BEBDMO C[C@@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343454562 350970946 /nfs/dbraw/zinc/97/09/46/350970946.db2.gz IOIIAXKYKKVRJN-MNOVXSKESA-N 1 1 249.314 2.489 20 5 BEBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343569856 350976305 /nfs/dbraw/zinc/97/63/05/350976305.db2.gz YTPRUKHHKREOLF-MFKMUULPSA-N 1 1 249.314 2.489 20 5 BEBDMO CC[N@@H+](C)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000155098525 188334094 /nfs/dbraw/zinc/33/40/94/188334094.db2.gz PKPYWLYSEZMSPT-UHFFFAOYSA-N 1 1 237.303 2.267 20 5 BEBDMO COC[C@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000193898467 367225532 /nfs/dbraw/zinc/22/55/32/367225532.db2.gz HJLJGJUPRNGRSH-JTQLQIEISA-N 1 1 238.287 2.062 20 5 BEBDMO Cc1[nH+]ccn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000195196708 367348975 /nfs/dbraw/zinc/34/89/75/367348975.db2.gz SDACVNPTBJCFNK-UHFFFAOYSA-N 1 1 247.254 2.179 20 5 BEBDMO CC[N@@H+](CCOC)Cc1ccccc1[N+](=O)[O-] ZINC000047611368 368465313 /nfs/dbraw/zinc/46/53/13/368465313.db2.gz UYYZYZPGHXFJQW-UHFFFAOYSA-N 1 1 238.287 2.063 20 5 BEBDMO CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285420230 169077797 /nfs/dbraw/zinc/07/77/97/169077797.db2.gz VRHAOTJDKXSFJX-UHFFFAOYSA-N 1 1 222.288 2.479 20 5 BEBDMO C[C@@H](C[N@@H+](C)CC[N+](=O)[O-])C1CCCCC1 ZINC001644109506 1172526801 /nfs/dbraw/zinc/52/68/01/1172526801.db2.gz RJESSJLPYQERHN-NSHDSACASA-N 1 1 228.336 2.411 20 5 BEBDMO Cc1[nH+]cn(Cc2cccc([N+](=O)[O-])c2)c1C ZINC000134590302 384370894 /nfs/dbraw/zinc/37/08/94/384370894.db2.gz NJGYXUCRHVNLHQ-UHFFFAOYSA-N 1 1 231.255 2.456 20 5 BEBDMO COc1ccc(Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000070164329 387118103 /nfs/dbraw/zinc/11/81/03/387118103.db2.gz BBDBXBIJTBRRKU-UHFFFAOYSA-N 1 1 247.254 2.157 20 5 BEBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046602451 387753794 /nfs/dbraw/zinc/75/37/94/387753794.db2.gz MOOKDSMLZAAMOL-UHFFFAOYSA-N 1 1 206.245 2.189 20 5 BEBDMO CC[C@@H](C)C[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595316467 388381362 /nfs/dbraw/zinc/38/13/62/388381362.db2.gz GKJBBAYTJILEHH-MRVPVSSYSA-N 1 1 241.291 2.369 20 5 BEBDMO CC[C@@H](C)C[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595316467 388381364 /nfs/dbraw/zinc/38/13/64/388381364.db2.gz GKJBBAYTJILEHH-MRVPVSSYSA-N 1 1 241.291 2.369 20 5 BEBDMO C[C@H]([NH2+]Cc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000037775641 388904971 /nfs/dbraw/zinc/90/49/71/388904971.db2.gz NVXFKYMAWWOHOL-VIFPVBQESA-N 1 1 246.270 2.169 20 5 BEBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263726481 176169668 /nfs/dbraw/zinc/16/96/68/176169668.db2.gz PJQISJOHBOFTOU-LLVKDONJSA-N 1 1 234.299 2.479 20 5 BEBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000299616788 177163250 /nfs/dbraw/zinc/16/32/50/177163250.db2.gz IQTAJWMJAMAKGW-JTQLQIEISA-N 1 1 220.272 2.437 20 5 BEBDMO CCC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000063756013 323163283 /nfs/dbraw/zinc/16/32/83/323163283.db2.gz HNLDOLGFEJIDBZ-UHFFFAOYSA-N 1 1 238.287 2.445 20 5 BEBDMO Cc1[nH+]ccn1Cc1ccccc1[N+](=O)[O-] ZINC000070163320 323169999 /nfs/dbraw/zinc/16/99/99/323169999.db2.gz DXHCDQDAMPQOAJ-UHFFFAOYSA-N 1 1 217.228 2.148 20 5 BEBDMO CCc1[nH+]ccn1Cc1csc([N+](=O)[O-])c1 ZINC000158376320 326316606 /nfs/dbraw/zinc/31/66/06/326316606.db2.gz MMDBKAJMDGJLFJ-UHFFFAOYSA-N 1 1 237.284 2.464 20 5 BEBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000895739501 583714331 /nfs/dbraw/zinc/71/43/31/583714331.db2.gz FLWQEXISOFFHRZ-SFYZADRCSA-N 1 1 241.316 2.161 20 5 BEBDMO O=[N+]([O-])CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000899890447 584245925 /nfs/dbraw/zinc/24/59/25/584245925.db2.gz CHGMLAJRHVTCQT-UHFFFAOYSA-N 1 1 249.097 2.360 20 5 BEBDMO Cc1ccc2oc(C[NH2+]CC[N+](=O)[O-])cc2c1 ZINC000899891041 584246007 /nfs/dbraw/zinc/24/60/07/584246007.db2.gz HAUSPOYGBRMHJR-UHFFFAOYSA-N 1 1 234.255 2.108 20 5 BEBDMO C[C@H]1CCCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738227130 585041897 /nfs/dbraw/zinc/04/18/97/585041897.db2.gz RVRAXOIGDHLEGV-JTQLQIEISA-N 1 1 238.291 2.013 20 5 BEBDMO C[C@H]1CCCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738227130 585041898 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ZINC000791054808 585973255 /nfs/dbraw/zinc/97/32/55/585973255.db2.gz YIGINLFOUHYFFR-VIFPVBQESA-N 1 1 226.301 2.162 20 5 BEBDMO Cc1ccc([C@@H](C)[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000791053760 585973476 /nfs/dbraw/zinc/97/34/76/585973476.db2.gz OYWHDXYNHXJLIR-LLVKDONJSA-N 1 1 222.288 2.265 20 5 BEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000797519084 586127993 /nfs/dbraw/zinc/12/79/93/586127993.db2.gz UFHWVPAYGNKDEK-JOYOIKCWSA-N 1 1 248.282 2.198 20 5 BEBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC000886006471 592129237 /nfs/dbraw/zinc/12/92/37/592129237.db2.gz RYZXNKNQQCIMKY-UHFFFAOYSA-N 1 1 235.287 2.222 20 5 BEBDMO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C ZINC000886098423 592147374 /nfs/dbraw/zinc/14/73/74/592147374.db2.gz MBZULQFLHIAVDM-QWRGUYRKSA-N 1 1 249.314 2.468 20 5 BEBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886098422 592147745 /nfs/dbraw/zinc/14/77/45/592147745.db2.gz MBZULQFLHIAVDM-MNOVXSKESA-N 1 1 249.314 2.468 20 5 BEBDMO C[N@H+](CCCF)Cc1csc([N+](=O)[O-])c1 ZINC000887137450 592451650 /nfs/dbraw/zinc/45/16/50/592451650.db2.gz ILZZGTPNPHEYJQ-UHFFFAOYSA-N 1 1 232.280 2.448 20 5 BEBDMO C[N@@H+](CCCF)Cc1csc([N+](=O)[O-])c1 ZINC000887137450 592451655 /nfs/dbraw/zinc/45/16/55/592451655.db2.gz ILZZGTPNPHEYJQ-UHFFFAOYSA-N 1 1 232.280 2.448 20 5 BEBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000930741911 634080953 /nfs/dbraw/zinc/08/09/53/634080953.db2.gz BTJCXFSTZWSOSG-WDEREUQCSA-N 1 1 228.336 2.410 20 5 BEBDMO C[N@@H+](CC[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000930371750 639734694 /nfs/dbraw/zinc/73/46/94/639734694.db2.gz WWOOEXCTNROKEQ-UHFFFAOYSA-N 1 1 222.288 2.130 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000931506685 640237940 /nfs/dbraw/zinc/23/79/40/640237940.db2.gz AFOYOXQJZMUSRK-GFCCVEGCSA-N 1 1 226.320 2.165 20 5 BEBDMO Cc1c(C[NH2+]Cc2ccno2)cccc1[N+](=O)[O-] ZINC000231894419 641213540 /nfs/dbraw/zinc/21/35/40/641213540.db2.gz QDPHBTTWIWCDPB-UHFFFAOYSA-N 1 1 247.254 2.181 20 5 BEBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929694720 641400537 /nfs/dbraw/zinc/40/05/37/641400537.db2.gz ZEGOJGYQGLWOHG-MNOVXSKESA-N 1 1 214.309 2.164 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000929290553 646066415 /nfs/dbraw/zinc/06/64/15/646066415.db2.gz WRUUJLXWXUDELS-CQSZACIVSA-N 1 1 248.326 2.360 20 5 BEBDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000929326752 646081269 /nfs/dbraw/zinc/08/12/69/646081269.db2.gz XGRDQFGTEWICSU-LLVKDONJSA-N 1 1 222.288 2.265 20 5 BEBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000929768385 646297509 /nfs/dbraw/zinc/29/75/09/646297509.db2.gz JEIIBVPDJPVCBI-OCCSQVGLSA-N 1 1 248.326 2.216 20 5 BEBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CC[N+](=O)[O-] ZINC000930005544 646393417 /nfs/dbraw/zinc/39/34/17/646393417.db2.gz MKPCZQJYHSSDMA-MNOVXSKESA-N 1 1 214.309 2.164 20 5 BEBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000719620766 712817380 /nfs/dbraw/zinc/81/73/80/712817380.db2.gz AAVWDNWOMOGBBO-CMPLNLGQSA-N 1 1 249.314 2.408 20 5 BEBDMO C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009818 969336005 /nfs/dbraw/zinc/33/60/05/969336005.db2.gz YHCLKYUSYLUGIC-WOPDTQHZSA-N 1 1 226.320 2.164 20 5 BEBDMO CC1(C)CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010218 969338950 /nfs/dbraw/zinc/33/89/50/969338950.db2.gz ZZGUOHAHRFOUBC-GHMZBOCLSA-N 1 1 226.320 2.306 20 5 BEBDMO CC(C)C[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007077 969329638 /nfs/dbraw/zinc/32/96/38/969329638.db2.gz KRGRLLDGXYLPSL-GHMZBOCLSA-N 1 1 214.309 2.020 20 5 BEBDMO C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008246 969332804 /nfs/dbraw/zinc/33/28/04/969332804.db2.gz SKSXWUGSEIJGHA-WOPDTQHZSA-N 1 1 226.320 2.306 20 5 BEBDMO C[N@@H+](C1CC(F)(F)C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009650 969332967 /nfs/dbraw/zinc/33/29/67/969332967.db2.gz WVHVEVVYIBVRJI-IUCAKERBSA-N 1 1 248.273 2.161 20 5 BEBDMO C[C@]1(F)CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011576 969337200 /nfs/dbraw/zinc/33/72/00/969337200.db2.gz LCHXRZNBZBVJRW-TUAOUCFPSA-N 1 1 244.310 2.256 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](CF)C2)C1 ZINC001169034975 969353906 /nfs/dbraw/zinc/35/39/06/969353906.db2.gz JDRSTHZANQUKMI-UTUOFQBUSA-N 1 1 244.310 2.113 20 5 BEBDMO C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036631 969357462 /nfs/dbraw/zinc/35/74/62/969357462.db2.gz HCXXGSGHUQCYDC-SRVKXCTJSA-N 1 1 240.347 2.410 20 5 BEBDMO C[N@@H+](CCC1CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039141 969357571 /nfs/dbraw/zinc/35/75/71/969357571.db2.gz NNSNFXFEHXGRAJ-RYUDHWBXSA-N 1 1 226.320 2.164 20 5 BEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001254552072 969738128 /nfs/dbraw/zinc/73/81/28/969738128.db2.gz IZBMZCAANDBHNW-RTXFEEFZSA-N 1 1 246.310 2.478 20 5 BEBDMO Cc1ccc(Nc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC001214164849 970443842 /nfs/dbraw/zinc/44/38/42/970443842.db2.gz FQTBURSTBPOKEU-UHFFFAOYSA-N 1 1 232.243 2.380 20 5 BEBDMO Cc1ccc2nc(O[C@H](C)C[N+](C)(C)C)[nH]c2c1 ZINC001226508206 974931910 /nfs/dbraw/zinc/93/19/10/974931910.db2.gz IZPYIRQZNMDGGY-LLVKDONJSA-N 1 1 248.350 2.345 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001334783576 976657599 /nfs/dbraw/zinc/65/75/99/976657599.db2.gz HXTABQWAYFMOLS-ZDUSSCGKSA-N 1 1 234.299 2.490 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001262252541 992820226 /nfs/dbraw/zinc/82/02/26/992820226.db2.gz UVUITLVCGJEMPC-MYSGNRETSA-N 1 1 246.310 2.441 20 5 BEBDMO C[N@@H+](CCCF)CCc1ccccc1[N+](=O)[O-] ZINC000285267307 398319457 /nfs/dbraw/zinc/31/94/57/398319457.db2.gz IHNAMXNFRCPWMK-UHFFFAOYSA-N 1 1 240.278 2.429 20 5 BEBDMO Cc1[nH+]ccn1Cc1csc([N+](=O)[O-])c1 ZINC000334179103 343830377 /nfs/dbraw/zinc/83/03/77/343830377.db2.gz CVDNUCJWMFPMJV-UHFFFAOYSA-N 1 1 223.257 2.210 20 5 BEBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000611271842 344445375 /nfs/dbraw/zinc/44/53/75/344445375.db2.gz FCGOPTJDNSGQLN-BXKDBHETSA-N 1 1 248.282 2.285 20 5 BEBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000611271842 344445378 /nfs/dbraw/zinc/44/53/78/344445378.db2.gz FCGOPTJDNSGQLN-BXKDBHETSA-N 1 1 248.282 2.285 20 5 BEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC=CCC2)cc1 ZINC000611517581 344748356 /nfs/dbraw/zinc/74/83/56/344748356.db2.gz SWNMRTIBELFPLI-UHFFFAOYSA-N 1 1 248.282 2.236 20 5 BEBDMO COc1cc(C[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000611517120 344748862 /nfs/dbraw/zinc/74/88/62/344748862.db2.gz ACFXYCFPKAQIDY-UHFFFAOYSA-N 1 1 248.282 2.365 20 5 BEBDMO COc1cc(C[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000611517120 344748863 /nfs/dbraw/zinc/74/88/63/344748863.db2.gz ACFXYCFPKAQIDY-UHFFFAOYSA-N 1 1 248.282 2.365 20 5 BEBDMO CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000091484513 345595035 /nfs/dbraw/zinc/59/50/35/345595035.db2.gz SEHYWMHJMBEUOP-ZDUSSCGKSA-N 1 1 249.314 2.125 20 5 BEBDMO CCC[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595297539 348216247 /nfs/dbraw/zinc/21/62/47/348216247.db2.gz VTMYIUXDIBSDDN-UHFFFAOYSA-N 1 1 227.264 2.123 20 5 BEBDMO CCC[N@@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595297539 348216248 /nfs/dbraw/zinc/21/62/48/348216248.db2.gz VTMYIUXDIBSDDN-UHFFFAOYSA-N 1 1 227.264 2.123 20 5 BEBDMO Cc1noc(C[N@H+](C)[C@@H](C)C(C)C)c1[N+](=O)[O-] ZINC000595285925 348212183 /nfs/dbraw/zinc/21/21/83/348212183.db2.gz BXRMEADOKPCNKY-VIFPVBQESA-N 1 1 241.291 2.368 20 5 BEBDMO Cc1cc(NCC[NH+]2CCC2)c([N+](=O)[O-])s1 ZINC000596175032 348462481 /nfs/dbraw/zinc/46/24/81/348462481.db2.gz OSEYRXQOBJXETR-UHFFFAOYSA-N 1 1 241.316 2.082 20 5 BEBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000090795294 363880921 /nfs/dbraw/zinc/88/09/21/363880921.db2.gz YAKKAWOLXJYMNE-ZYHUDNBSSA-N 1 1 249.314 2.489 20 5 BEBDMO COC[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000193890391 367223597 /nfs/dbraw/zinc/22/35/97/367223597.db2.gz UFMUGHHTZOHDRV-JTQLQIEISA-N 1 1 238.287 2.062 20 5 BEBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000091480270 384128757 /nfs/dbraw/zinc/12/87/57/384128757.db2.gz MIANLNMEKCJADG-SNVBAGLBSA-N 1 1 249.314 2.489 20 5 BEBDMO C[C@@H](CF)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000309726053 384150331 /nfs/dbraw/zinc/15/03/31/384150331.db2.gz DCTZFAKAKSTCDB-ZETCQYMHSA-N 1 1 230.214 2.182 20 5 BEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC=CCC2)cc1 ZINC000073224327 385692007 /nfs/dbraw/zinc/69/20/07/385692007.db2.gz YDIVKRNESAIBHZ-UHFFFAOYSA-N 1 1 232.283 2.399 20 5 BEBDMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000302782422 388345011 /nfs/dbraw/zinc/34/50/11/388345011.db2.gz SOTFNIMTTZKPRQ-ZDUSSCGKSA-N 1 1 249.314 2.125 20 5 BEBDMO COC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000079887012 388700716 /nfs/dbraw/zinc/70/07/16/388700716.db2.gz CMSAWRTVXVUOKR-JTQLQIEISA-N 1 1 238.287 2.062 20 5 BEBDMO Cc1[nH+]ccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000070164327 388728601 /nfs/dbraw/zinc/72/86/01/388728601.db2.gz DHUIXCUVKWSTIR-UHFFFAOYSA-N 1 1 231.255 2.342 20 5 BEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000356796651 132271732 /nfs/dbraw/zinc/27/17/32/132271732.db2.gz RDGCQBCZFGXMLC-GHMZBOCLSA-N 1 1 249.314 2.124 20 5 BEBDMO C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000221258801 173056361 /nfs/dbraw/zinc/05/63/61/173056361.db2.gz OHBHGKFFVGEVQS-LBPRGKRZSA-N 1 1 235.287 2.101 20 5 BEBDMO COc1ccc(C[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000332012245 175098455 /nfs/dbraw/zinc/09/84/55/175098455.db2.gz SMCQMZVXGKLVMM-UHFFFAOYSA-N 1 1 236.271 2.055 20 5 BEBDMO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000037775642 175896715 /nfs/dbraw/zinc/89/67/15/175896715.db2.gz NVXFKYMAWWOHOL-SECBINFHSA-N 1 1 246.270 2.169 20 5 BEBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000354086773 176166214 /nfs/dbraw/zinc/16/62/14/176166214.db2.gz TZZMUAGACGOVDO-LLVKDONJSA-N 1 1 249.314 2.125 20 5 BEBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000293454272 176304509 /nfs/dbraw/zinc/30/45/09/176304509.db2.gz POWWIXPZOOJDRW-NXEZZACHSA-N 1 1 220.272 2.435 20 5 BEBDMO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000263693396 177167703 /nfs/dbraw/zinc/16/77/03/177167703.db2.gz KCTFUQWCVILKFD-QMMMGPOBSA-N 1 1 226.301 2.498 20 5 BEBDMO C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000263693396 177167704 /nfs/dbraw/zinc/16/77/04/177167704.db2.gz KCTFUQWCVILKFD-QMMMGPOBSA-N 1 1 226.301 2.498 20 5 BEBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000293397863 177265481 /nfs/dbraw/zinc/26/54/81/177265481.db2.gz LISQJWJHUZINLW-UWVGGRQHSA-N 1 1 220.272 2.435 20 5 BEBDMO C[C@H]([NH2+]Cc1ccno1)c1ccc([N+](=O)[O-])cc1 ZINC000231883429 487639950 /nfs/dbraw/zinc/63/99/50/487639950.db2.gz KANRJQOEALDDRT-VIFPVBQESA-N 1 1 247.254 2.434 20 5 BEBDMO Cc1c(C[NH+]2CC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000877555763 583327703 /nfs/dbraw/zinc/32/77/03/583327703.db2.gz AVRGMKCRZJZBJF-UHFFFAOYSA-N 1 1 232.283 2.499 20 5 BEBDMO C[C@H]1CCCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738225789 585041803 /nfs/dbraw/zinc/04/18/03/585041803.db2.gz ULWMHZRPYCWEJL-JTQLQIEISA-N 1 1 238.291 2.013 20 5 BEBDMO C[C@H]1CCCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738225789 585041804 /nfs/dbraw/zinc/04/18/04/585041804.db2.gz ULWMHZRPYCWEJL-JTQLQIEISA-N 1 1 238.291 2.013 20 5 BEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761092012 585408401 /nfs/dbraw/zinc/40/84/01/585408401.db2.gz MIAANINZRMBBDI-GXFFZTMASA-N 1 1 248.282 2.068 20 5 BEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761092016 585408413 /nfs/dbraw/zinc/40/84/13/585408413.db2.gz MIAANINZRMBBDI-MFKMUULPSA-N 1 1 248.282 2.068 20 5 BEBDMO O=[N+]([O-])CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000791053250 585972703 /nfs/dbraw/zinc/97/27/03/585972703.db2.gz KASJEKJXNFQRAJ-UHFFFAOYSA-N 1 1 238.287 2.301 20 5 BEBDMO O=[N+]([O-])CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000791053250 585972704 /nfs/dbraw/zinc/97/27/04/585972704.db2.gz KASJEKJXNFQRAJ-UHFFFAOYSA-N 1 1 238.287 2.301 20 5 BEBDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791051940 585972921 /nfs/dbraw/zinc/97/29/21/585972921.db2.gz INUVYXYSSAJHLM-ZDUSSCGKSA-N 1 1 234.299 2.409 20 5 BEBDMO Cc1cccc([C@H]2CCC[N@H+]2CC[N+](=O)[O-])c1 ZINC000791052955 585972958 /nfs/dbraw/zinc/97/29/58/585972958.db2.gz PZDWWFWURMTIRO-CYBMUJFWSA-N 1 1 234.299 2.409 20 5 BEBDMO CC[N@H+](CC[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000791053702 585973226 /nfs/dbraw/zinc/97/32/26/585973226.db2.gz MRNVIYLGCUVSKB-UHFFFAOYSA-N 1 1 242.706 2.439 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000791053702 585973227 /nfs/dbraw/zinc/97/32/27/585973227.db2.gz MRNVIYLGCUVSKB-UHFFFAOYSA-N 1 1 242.706 2.439 20 5 BEBDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000848514403 588388963 /nfs/dbraw/zinc/38/89/63/588388963.db2.gz NOYMBLSHUQXKPX-KWQFWETISA-N 1 1 249.270 2.249 20 5 BEBDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000848519184 588390077 /nfs/dbraw/zinc/39/00/77/588390077.db2.gz MNLNOXBPNLMJRC-SCZZXKLOSA-N 1 1 249.270 2.249 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000880293000 590987953 /nfs/dbraw/zinc/98/79/53/590987953.db2.gz YCRPQYFFQOWJMY-NSHDSACASA-N 1 1 238.262 2.386 20 5 BEBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000882961749 591486396 /nfs/dbraw/zinc/48/63/96/591486396.db2.gz WSHNCDLXKBIJSH-MRVPVSSYSA-N 1 1 241.316 2.162 20 5 BEBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000885940635 592112179 /nfs/dbraw/zinc/11/21/79/592112179.db2.gz NTPAAKKJLNTZCL-UHFFFAOYSA-N 1 1 235.287 2.364 20 5 BEBDMO C[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885944051 592112752 /nfs/dbraw/zinc/11/27/52/592112752.db2.gz JPWLDQYRHRLKLU-JTQLQIEISA-N 1 1 235.287 2.364 20 5 BEBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])CC(C)C ZINC000885951652 592114224 /nfs/dbraw/zinc/11/42/24/592114224.db2.gz MZFHNKIQYGZWIX-UHFFFAOYSA-N 1 1 237.303 2.468 20 5 BEBDMO CC1(C)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885983506 592120740 /nfs/dbraw/zinc/12/07/40/592120740.db2.gz IDNXDFNIXVYZGH-UHFFFAOYSA-N 1 1 235.287 2.364 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000885985718 592122003 /nfs/dbraw/zinc/12/20/03/592122003.db2.gz OTMDEZABSUUFJB-LBPRGKRZSA-N 1 1 247.298 2.364 20 5 BEBDMO CC1=CC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886086336 592144940 /nfs/dbraw/zinc/14/49/40/592144940.db2.gz IUTMBPDTLPUVOB-UHFFFAOYSA-N 1 1 233.271 2.142 20 5 BEBDMO CC1=CC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886086336 592144942 /nfs/dbraw/zinc/14/49/42/592144942.db2.gz IUTMBPDTLPUVOB-UHFFFAOYSA-N 1 1 233.271 2.142 20 5 BEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886326078 592208899 /nfs/dbraw/zinc/20/88/99/592208899.db2.gz AIZBSVJRUVSEJD-AOOOYVTPSA-N 1 1 248.282 2.055 20 5 BEBDMO O=[N+]([O-])c1ccnn1C[NH+]1CCCCCCC1 ZINC000123114478 634205867 /nfs/dbraw/zinc/20/58/67/634205867.db2.gz NTSMQYCRWQVENJ-UHFFFAOYSA-N 1 1 238.291 2.015 20 5 BEBDMO CC(C)C1(c2ccccc2)C[NH+](CC[N+](=O)[O-])C1 ZINC000899887532 637149248 /nfs/dbraw/zinc/14/92/48/637149248.db2.gz CADNOLFPNNIWMH-UHFFFAOYSA-N 1 1 248.326 2.173 20 5 BEBDMO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1OC ZINC000930200855 639637316 /nfs/dbraw/zinc/63/73/16/639637316.db2.gz LSWWISPHTYEDSS-LLVKDONJSA-N 1 1 238.287 2.013 20 5 BEBDMO C[C@@H](C1CCCCC1)[N@@H+](C)CC[N+](=O)[O-] ZINC000930349896 639725006 /nfs/dbraw/zinc/72/50/06/639725006.db2.gz CNKREOHPJXVBRN-JTQLQIEISA-N 1 1 214.309 2.164 20 5 BEBDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC[N+](=O)[O-])C1 ZINC000930473735 639772428 /nfs/dbraw/zinc/77/24/28/639772428.db2.gz BJEPBBBEDNCFJF-WCQYABFASA-N 1 1 234.299 2.346 20 5 BEBDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CC[N+](=O)[O-] ZINC000930492219 639780662 /nfs/dbraw/zinc/78/06/62/639780662.db2.gz FDWAHHDAMRQLTL-QWRGUYRKSA-N 1 1 228.336 2.410 20 5 BEBDMO CCc1ccc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC000930564829 639811287 /nfs/dbraw/zinc/81/12/87/639811287.db2.gz OHBIMFRXZHCDTQ-AWEZNQCLSA-N 1 1 248.326 2.315 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000930892044 639977042 /nfs/dbraw/zinc/97/70/42/639977042.db2.gz ODJNXHODVYZOCO-LBPRGKRZSA-N 1 1 226.320 2.308 20 5 BEBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])CCc2ccccc21 ZINC000930928557 639992187 /nfs/dbraw/zinc/99/21/87/639992187.db2.gz SNKNSQXCMBAJMC-UHFFFAOYSA-N 1 1 248.326 2.099 20 5 BEBDMO CC(C)c1ccc2c(c1)C[N@@H+](CC[N+](=O)[O-])CC2 ZINC000930964116 640001629 /nfs/dbraw/zinc/00/16/29/640001629.db2.gz ZOWWFURGRBKFLE-UHFFFAOYSA-N 1 1 248.326 2.445 20 5 BEBDMO CC(C)c1ccc2c(c1)C[N@H+](CC[N+](=O)[O-])CC2 ZINC000930964116 640001631 /nfs/dbraw/zinc/00/16/31/640001631.db2.gz ZOWWFURGRBKFLE-UHFFFAOYSA-N 1 1 248.326 2.445 20 5 BEBDMO C[C@@]1(C2CCCCC2)CC[N@H+]1CC[N+](=O)[O-] ZINC000931571801 640280776 /nfs/dbraw/zinc/28/07/76/640280776.db2.gz VCPCXSPQOUNXCL-LBPRGKRZSA-N 1 1 226.320 2.308 20 5 BEBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000931746683 640346221 /nfs/dbraw/zinc/34/62/21/640346221.db2.gz KHQHXJBTDGKDAW-DGCLKSJQSA-N 1 1 234.299 2.346 20 5 BEBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000931746511 640348200 /nfs/dbraw/zinc/34/82/00/640348200.db2.gz KHQHXJBTDGKDAW-AAEUAGOBSA-N 1 1 234.299 2.346 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000934346246 641131825 /nfs/dbraw/zinc/13/18/25/641131825.db2.gz XJVOWYXJDAJLMJ-PHIMTYICSA-N 1 1 247.298 2.222 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000929291020 643958440 /nfs/dbraw/zinc/95/84/40/643958440.db2.gz BCNBEOGFHLCTGM-LBPRGKRZSA-N 1 1 226.320 2.308 20 5 BEBDMO CC(C)C[N@@H+](CC[N+](=O)[O-])C1CCCC1 ZINC000929397802 646107490 /nfs/dbraw/zinc/10/74/90/646107490.db2.gz FHTXWFFWBUFWBX-UHFFFAOYSA-N 1 1 214.309 2.164 20 5 BEBDMO CC[C@H](C)[C@H](C)[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000929531377 646176928 /nfs/dbraw/zinc/17/69/28/646176928.db2.gz OICRYHQSNZIROT-UWVGGRQHSA-N 1 1 214.309 2.162 20 5 BEBDMO CC[C@@H](C)[C@@H](C)[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000929531376 646178422 /nfs/dbraw/zinc/17/84/22/646178422.db2.gz OICRYHQSNZIROT-NXEZZACHSA-N 1 1 214.309 2.162 20 5 BEBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000929811636 646332062 /nfs/dbraw/zinc/33/20/62/646332062.db2.gz BZCJMWFANPCFAN-YPMHNXCESA-N 1 1 234.299 2.141 20 5 BEBDMO Cc1cc(NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000712609630 712437422 /nfs/dbraw/zinc/43/74/22/712437422.db2.gz WAQFWELHUAZRFL-LLVKDONJSA-N 1 1 235.287 2.019 20 5 BEBDMO Cc1[nH+]ccn1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000714027220 712477479 /nfs/dbraw/zinc/47/74/79/712477479.db2.gz DHTBCCDJMMNZDR-UHFFFAOYSA-N 1 1 231.255 2.456 20 5 BEBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000719581244 712812639 /nfs/dbraw/zinc/81/26/39/712812639.db2.gz STWZSSHDSGYURB-CABZTGNLSA-N 1 1 235.287 2.099 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000719623947 712814373 /nfs/dbraw/zinc/81/43/73/712814373.db2.gz KDFNIHSCYBLKOX-ZWNOBZJWSA-N 1 1 249.314 2.408 20 5 BEBDMO Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000719622553 712817936 /nfs/dbraw/zinc/81/79/36/712817936.db2.gz GOPYAUOUFYVCSF-WDEREUQCSA-N 1 1 249.314 2.408 20 5 BEBDMO CCC[N@@H+](CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009781 969333200 /nfs/dbraw/zinc/33/32/00/969333200.db2.gz YEDKAMHUDXRYAD-MNOVXSKESA-N 1 1 214.309 2.164 20 5 BEBDMO CCCC[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009472 969332534 /nfs/dbraw/zinc/33/25/34/969332534.db2.gz WKKVOZVQYVARIE-GHMZBOCLSA-N 1 1 214.309 2.164 20 5 BEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(F)F ZINC001173213043 975076872 /nfs/dbraw/zinc/07/68/72/975076872.db2.gz CZVQNWTYEJWJSY-MRVPVSSYSA-N 1 1 244.241 2.381 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC001334159941 976339804 /nfs/dbraw/zinc/33/98/04/976339804.db2.gz KORHVEKVUVMNCA-MNOVXSKESA-N 1 1 214.309 2.164 20 5 BEBDMO CCOc1cc([N+](=O)[O-])ccc1NC=[NH2+] ZINC001167868007 961353302 /nfs/dbraw/zinc/35/33/02/961353302.db2.gz CNNDDZYEEUTRAV-UHFFFAOYSA-N 1 1 209.205 2.012 20 5 BEBDMO CC(C)(C)C(=[NH2+])Nc1ncc([N+](=O)[O-])cc1N ZINC001155180166 963007225 /nfs/dbraw/zinc/00/72/25/963007225.db2.gz KDBSTESZFCPHBQ-UHFFFAOYSA-N 1 1 237.263 2.007 20 5 BEBDMO Cc1nc2ccc(O[C@H](C)C[N+](C)(C)C)cc2[nH]1 ZINC001228330113 963758631 /nfs/dbraw/zinc/75/86/31/963758631.db2.gz VGCIRYQGXZBYSS-SNVBAGLBSA-N 1 1 248.350 2.345 20 5 BEBDMO CCCNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001168136352 963833041 /nfs/dbraw/zinc/83/30/41/963833041.db2.gz CNZCTCSIHQNAGO-UHFFFAOYSA-N 1 1 249.314 2.405 20 5 BEBDMO CCCNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001168136352 963833045 /nfs/dbraw/zinc/83/30/45/963833045.db2.gz CNZCTCSIHQNAGO-UHFFFAOYSA-N 1 1 249.314 2.405 20 5 BEBDMO CCC[N@@H+](CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009779 969335991 /nfs/dbraw/zinc/33/59/91/969335991.db2.gz YEDKAMHUDXRYAD-GHMZBOCLSA-N 1 1 214.309 2.164 20 5 BEBDMO C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008245 969333970 /nfs/dbraw/zinc/33/39/70/969333970.db2.gz SKSXWUGSEIJGHA-UTUOFQBUSA-N 1 1 226.320 2.306 20 5 BEBDMO C[C@]1(F)CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011578 969337891 /nfs/dbraw/zinc/33/78/91/969337891.db2.gz LCHXRZNBZBVJRW-WOPDTQHZSA-N 1 1 244.310 2.256 20 5 BEBDMO CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036831 969356966 /nfs/dbraw/zinc/35/69/66/969356966.db2.gz QEUMWEMISFMEFJ-QJPTWQEYSA-N 1 1 226.320 2.306 20 5 BEBDMO CC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054958 969370771 /nfs/dbraw/zinc/37/07/71/969370771.db2.gz OPTYYDGVSLOMEZ-IJLUTSLNSA-N 1 1 226.320 2.164 20 5 BEBDMO C[C@H]1CC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593336 969743260 /nfs/dbraw/zinc/74/32/60/969743260.db2.gz KVPBZWPRDSSIBE-ZANVPECISA-N 1 1 232.283 2.156 20 5 BEBDMO CC[N@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763677 975063584 /nfs/dbraw/zinc/06/35/84/975063584.db2.gz YYHNGNUSHGMNKA-LBPRGKRZSA-N 1 1 236.271 2.068 20 5 BEBDMO C[N@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763383 975064423 /nfs/dbraw/zinc/06/44/23/975064423.db2.gz RIHRNFAYGSOXNU-GFCCVEGCSA-N 1 1 236.271 2.068 20 5 BEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCF ZINC001173238449 975158714 /nfs/dbraw/zinc/15/87/14/975158714.db2.gz SRESRRQYXFTXSI-SNVBAGLBSA-N 1 1 240.278 2.427 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC001332912244 975320759 /nfs/dbraw/zinc/32/07/59/975320759.db2.gz SYLDKOOJSXCFLM-JTQLQIEISA-N 1 1 242.344 2.278 20 5 BEBDMO Cc1ccc(C)c(C[N@H+](C)CC[N+](=O)[O-])c1 ZINC001332989975 975361883 /nfs/dbraw/zinc/36/18/83/975361883.db2.gz GJYBXZZQCOSZOU-UHFFFAOYSA-N 1 1 222.288 2.012 20 5 BEBDMO Cc1ccc(C)c(C[N@@H+](C)CC[N+](=O)[O-])c1 ZINC001332989975 975361889 /nfs/dbraw/zinc/36/18/89/975361889.db2.gz GJYBXZZQCOSZOU-UHFFFAOYSA-N 1 1 222.288 2.012 20 5 BEBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC001333485433 975811349 /nfs/dbraw/zinc/81/13/49/975811349.db2.gz FDYKUYVLWJRSFQ-GFCCVEGCSA-N 1 1 236.315 2.135 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC001334159943 976346030 /nfs/dbraw/zinc/34/60/30/976346030.db2.gz KORHVEKVUVMNCA-WDEREUQCSA-N 1 1 214.309 2.164 20 5 BEBDMO CCC(CC)CCC[N@@H+](C)CC[N+](=O)[O-] ZINC001196518183 982458268 /nfs/dbraw/zinc/45/82/68/982458268.db2.gz KFMWSJSSEGIQPM-UHFFFAOYSA-N 1 1 216.325 2.411 20 5 BEBDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC001618778517 1170649494 /nfs/dbraw/zinc/64/94/94/1170649494.db2.gz YFMIBMCDUAIKOQ-NEPJUHHUSA-N 1 1 240.347 2.411 20 5 BEBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000083126974 342998474 /nfs/dbraw/zinc/99/84/74/342998474.db2.gz BUVKVCXJRYKNPD-UHFFFAOYSA-N 1 1 247.254 2.332 20 5 BEBDMO CC[N@@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000054128108 187272660 /nfs/dbraw/zinc/27/26/60/187272660.db2.gz MSBSZGDZOQMWLG-UHFFFAOYSA-N 1 1 237.303 2.267 20 5 BEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000595808657 348349629 /nfs/dbraw/zinc/34/96/29/348349629.db2.gz OSCFUKJAPNAVSF-NXEZZACHSA-N 1 1 238.312 2.498 20 5 BEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000595808657 348349631 /nfs/dbraw/zinc/34/96/31/348349631.db2.gz OSCFUKJAPNAVSF-NXEZZACHSA-N 1 1 238.312 2.498 20 5 BEBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000309344303 350327108 /nfs/dbraw/zinc/32/71/08/350327108.db2.gz LGFAXXFWOLMDCK-UHFFFAOYSA-N 1 1 243.332 2.408 20 5 BEBDMO CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000328467693 350397662 /nfs/dbraw/zinc/39/76/62/350397662.db2.gz JZNXDFPUCVYESR-LBPRGKRZSA-N 1 1 249.314 2.491 20 5 BEBDMO COCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052637854 351063359 /nfs/dbraw/zinc/06/33/59/351063359.db2.gz LEODIENFWNOLFP-UHFFFAOYSA-N 1 1 238.287 2.063 20 5 BEBDMO Cc1ccc(NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000037647817 364379559 /nfs/dbraw/zinc/37/95/59/364379559.db2.gz TZDHIJGHZOUKIQ-LLVKDONJSA-N 1 1 249.314 2.267 20 5 BEBDMO COC[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000193890405 367224202 /nfs/dbraw/zinc/22/42/02/367224202.db2.gz UFMUGHHTZOHDRV-SNVBAGLBSA-N 1 1 238.287 2.062 20 5 BEBDMO Cc1[nH+]ccn1CCOc1ccccc1[N+](=O)[O-] ZINC000194117008 367249318 /nfs/dbraw/zinc/24/93/18/367249318.db2.gz WAXQHTCXKNTUEJ-UHFFFAOYSA-N 1 1 247.254 2.179 20 5 BEBDMO Cc1cc(C)c(Cn2cc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC000601075505 371725890 /nfs/dbraw/zinc/72/58/90/371725890.db2.gz QMOAJQLWSOSTQZ-UHFFFAOYSA-N 1 1 246.270 2.160 20 5 BEBDMO CC(C)([NH2+]CCF)c1ccccc1[N+](=O)[O-] ZINC000336682874 385646874 /nfs/dbraw/zinc/64/68/74/385646874.db2.gz SDFBUYNRXQSGPK-UHFFFAOYSA-N 1 1 226.251 2.389 20 5 BEBDMO COC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000079887015 388700914 /nfs/dbraw/zinc/70/09/14/388700914.db2.gz CMSAWRTVXVUOKR-SNVBAGLBSA-N 1 1 238.287 2.062 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC2(CC2)C1 ZINC000334742919 388826276 /nfs/dbraw/zinc/82/62/76/388826276.db2.gz OFABAVNIZFSKDY-UHFFFAOYSA-N 1 1 218.256 2.191 20 5 BEBDMO CC[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286319274 132214372 /nfs/dbraw/zinc/21/43/72/132214372.db2.gz KTYHDKLGFGIISC-NSHDSACASA-N 1 1 249.314 2.125 20 5 BEBDMO CC(C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000175584701 397977814 /nfs/dbraw/zinc/97/78/14/397977814.db2.gz KJHLJZTUNJKNDI-UHFFFAOYSA-N 1 1 208.261 2.435 20 5 BEBDMO Cc1[nH+]ccn1/C=C\c1ccc([N+](=O)[O-])o1 ZINC001651882630 1173001775 /nfs/dbraw/zinc/00/17/75/1173001775.db2.gz YTDDPFJSEHLYBS-XQRVVYSFSA-N 1 1 219.200 2.321 20 5 BEBDMO CCc1[nH+]ccn1Cc1ccccc1[N+](=O)[O-] ZINC000104300507 172027388 /nfs/dbraw/zinc/02/73/88/172027388.db2.gz IBKJWFLKQHSPHB-UHFFFAOYSA-N 1 1 231.255 2.402 20 5 BEBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263785281 176175439 /nfs/dbraw/zinc/17/54/39/176175439.db2.gz ZQYMIIAQSSPVEK-SNVBAGLBSA-N 1 1 220.272 2.437 20 5 BEBDMO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000263693390 176177564 /nfs/dbraw/zinc/17/75/64/176177564.db2.gz KCTFUQWCVILKFD-MRVPVSSYSA-N 1 1 226.301 2.498 20 5 BEBDMO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000263693390 176177565 /nfs/dbraw/zinc/17/75/65/176177565.db2.gz KCTFUQWCVILKFD-MRVPVSSYSA-N 1 1 226.301 2.498 20 5 BEBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000293405624 177265756 /nfs/dbraw/zinc/26/57/56/177265756.db2.gz MAGCNCLIQVJUFS-VHSXEESVSA-N 1 1 220.272 2.435 20 5 BEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000880292547 583523276 /nfs/dbraw/zinc/52/32/76/583523276.db2.gz QZPAKGCXPLGCIH-NSHDSACASA-N 1 1 238.262 2.386 20 5 BEBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000895739499 583714477 /nfs/dbraw/zinc/71/44/77/583714477.db2.gz FLWQEXISOFFHRZ-HTQZYQBOSA-N 1 1 241.316 2.161 20 5 BEBDMO CC(C)[C@H]1[N@@H+](CC[N+](=O)[O-])CC12CCCC2 ZINC000899888188 584247424 /nfs/dbraw/zinc/24/74/24/584247424.db2.gz ZDHAIZDTISGECQ-LLVKDONJSA-N 1 1 226.320 2.164 20 5 BEBDMO CCCc1[nH+]ccn1Cc1cccnc1[N+](=O)[O-] ZINC000902296596 584552794 /nfs/dbraw/zinc/55/27/94/584552794.db2.gz MGJLFGVJWRUMPL-UHFFFAOYSA-N 1 1 246.270 2.187 20 5 BEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3C[C@H]32)cs1 ZINC000761083452 585406997 /nfs/dbraw/zinc/40/69/97/585406997.db2.gz JMYGXQTUFBXTGM-DTWKUNHWSA-N 1 1 224.285 2.251 20 5 BEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3C[C@H]32)cs1 ZINC000761083452 585406996 /nfs/dbraw/zinc/40/69/96/585406996.db2.gz JMYGXQTUFBXTGM-DTWKUNHWSA-N 1 1 224.285 2.251 20 5 BEBDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791052732 585972629 /nfs/dbraw/zinc/97/26/29/585972629.db2.gz BBXYVAZXAAIHKZ-VIFPVBQESA-N 1 1 226.251 2.095 20 5 BEBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791052732 585972630 /nfs/dbraw/zinc/97/26/30/585972630.db2.gz BBXYVAZXAAIHKZ-VIFPVBQESA-N 1 1 226.251 2.095 20 5 BEBDMO C[N@@H+](CC[N+](=O)[O-])C1CCCCCCC1 ZINC000791051755 585972641 /nfs/dbraw/zinc/97/26/41/585972641.db2.gz ILWVHLYSOGCESG-UHFFFAOYSA-N 1 1 214.309 2.308 20 5 BEBDMO CCCCC[N@@H+](CC[N+](=O)[O-])C(C)C ZINC000791054822 585973011 /nfs/dbraw/zinc/97/30/11/585973011.db2.gz YUJPWHKOWWMNOK-UHFFFAOYSA-N 1 1 202.298 2.164 20 5 BEBDMO C[C@@H](c1cccs1)[N@H+](C)CC[N+](=O)[O-] ZINC000791053213 585973260 /nfs/dbraw/zinc/97/32/60/585973260.db2.gz JIYXWSDNSPLBAT-QMMMGPOBSA-N 1 1 214.290 2.018 20 5 BEBDMO C[C@@H](c1cccs1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053213 585973261 /nfs/dbraw/zinc/97/32/61/585973261.db2.gz JIYXWSDNSPLBAT-QMMMGPOBSA-N 1 1 214.290 2.018 20 5 BEBDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000848515293 588389106 /nfs/dbraw/zinc/38/91/06/588389106.db2.gz XAJXUXVJPZJQJY-GZMMTYOYSA-N 1 1 249.270 2.249 20 5 BEBDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000848519183 588390057 /nfs/dbraw/zinc/39/00/57/588390057.db2.gz MNLNOXBPNLMJRC-PSASIEDQSA-N 1 1 249.270 2.249 20 5 BEBDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000848519186 588390648 /nfs/dbraw/zinc/39/06/48/588390648.db2.gz MNLNOXBPNLMJRC-WCBMZHEXSA-N 1 1 249.270 2.249 20 5 BEBDMO NC(=[NH+]OCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000871764444 589809424 /nfs/dbraw/zinc/80/94/24/589809424.db2.gz GSESPXYUQNIXTP-UHFFFAOYSA-N 1 1 249.270 2.393 20 5 BEBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000885964121 592117314 /nfs/dbraw/zinc/11/73/14/592117314.db2.gz XCMXIZGOVJYVPJ-UHFFFAOYSA-N 1 1 223.276 2.220 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC2(CCC2)C1 ZINC000886040020 592138882 /nfs/dbraw/zinc/13/88/82/592138882.db2.gz RXJLOIHSWVGZAL-UHFFFAOYSA-N 1 1 247.298 2.366 20 5 BEBDMO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1OC ZINC000930200856 639636623 /nfs/dbraw/zinc/63/66/23/639636623.db2.gz LSWWISPHTYEDSS-NSHDSACASA-N 1 1 238.287 2.013 20 5 BEBDMO O=[N+]([O-])CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000930219654 639641102 /nfs/dbraw/zinc/64/11/02/639641102.db2.gz AYHYPHQYGABZDL-UHFFFAOYSA-N 1 1 240.690 2.195 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000930994330 640013727 /nfs/dbraw/zinc/01/37/27/640013727.db2.gz PJVAUTQLYIJJAD-LBPRGKRZSA-N 1 1 226.320 2.165 20 5 BEBDMO CCC[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000063730645 641220580 /nfs/dbraw/zinc/22/05/80/641220580.db2.gz JWARLZHDCKVJGQ-UHFFFAOYSA-N 1 1 248.286 2.244 20 5 BEBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000047914422 641667871 /nfs/dbraw/zinc/66/78/71/641667871.db2.gz KKRJWBIIDLWIFE-UHFFFAOYSA-N 1 1 224.235 2.328 20 5 BEBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000047914422 641667873 /nfs/dbraw/zinc/66/78/73/641667873.db2.gz KKRJWBIIDLWIFE-UHFFFAOYSA-N 1 1 224.235 2.328 20 5 BEBDMO CCCCC[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929852377 641777947 /nfs/dbraw/zinc/77/79/47/641777947.db2.gz CUHGCICAOZOLLX-LLVKDONJSA-N 1 1 214.309 2.308 20 5 BEBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000929260205 646041970 /nfs/dbraw/zinc/04/19/70/646041970.db2.gz VIZKDHIOWGMACQ-WOPDTQHZSA-N 1 1 226.320 2.164 20 5 BEBDMO CC1CCC([N@@H+](CC[N+](=O)[O-])C2CC2)CC1 ZINC000929286322 646061003 /nfs/dbraw/zinc/06/10/03/646061003.db2.gz BMIJBOHTTFDDDH-UHFFFAOYSA-N 1 1 226.320 2.306 20 5 BEBDMO Cc1ccccc1[C@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000929326753 646082350 /nfs/dbraw/zinc/08/23/50/646082350.db2.gz XGRDQFGTEWICSU-NSHDSACASA-N 1 1 222.288 2.265 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000929334308 646085515 /nfs/dbraw/zinc/08/55/15/646085515.db2.gz VIEAAIMSCDQASP-JTQLQIEISA-N 1 1 240.278 2.485 20 5 BEBDMO Cc1ccccc1C[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929368088 646102038 /nfs/dbraw/zinc/10/20/38/646102038.db2.gz JEBGAMYJIKMTPB-UHFFFAOYSA-N 1 1 234.299 2.236 20 5 BEBDMO Cc1ccccc1C[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000929368088 646102041 /nfs/dbraw/zinc/10/20/41/646102041.db2.gz JEBGAMYJIKMTPB-UHFFFAOYSA-N 1 1 234.299 2.236 20 5 BEBDMO C[C@@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719578066 712811863 /nfs/dbraw/zinc/81/18/63/712811863.db2.gz MHPBAROIEDIXPB-ZJUUUORDSA-N 1 1 235.287 2.099 20 5 BEBDMO CC(C)C[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007080 969329257 /nfs/dbraw/zinc/32/92/57/969329257.db2.gz KRGRLLDGXYLPSL-WDEREUQCSA-N 1 1 214.309 2.020 20 5 BEBDMO CC(C)C[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007078 969330349 /nfs/dbraw/zinc/33/03/49/969330349.db2.gz KRGRLLDGXYLPSL-MNOVXSKESA-N 1 1 214.309 2.020 20 5 BEBDMO C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169009816 969334417 /nfs/dbraw/zinc/33/44/17/969334417.db2.gz YHCLKYUSYLUGIC-UTUOFQBUSA-N 1 1 226.320 2.164 20 5 BEBDMO C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036640 969355365 /nfs/dbraw/zinc/35/53/65/969355365.db2.gz HCXXGSGHUQCYDC-WOPDTQHZSA-N 1 1 240.347 2.410 20 5 BEBDMO C[N@@H+](C1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037719 969358551 /nfs/dbraw/zinc/35/85/51/969358551.db2.gz TWKHQDKJLKGBOH-JQWIXIFHSA-N 1 1 226.320 2.306 20 5 BEBDMO CC[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054957 969372642 /nfs/dbraw/zinc/37/26/42/969372642.db2.gz OPTYYDGVSLOMEZ-GRYCIOLGSA-N 1 1 226.320 2.164 20 5 BEBDMO CCC[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597939 969745728 /nfs/dbraw/zinc/74/57/28/969745728.db2.gz JOGWZAPDOZSTGW-ZDUSSCGKSA-N 1 1 234.299 2.404 20 5 BEBDMO C/C(=C/c1ccccc1)C[N@H+](C)CC[N+](=O)[O-] ZINC001351399191 982308738 /nfs/dbraw/zinc/30/87/38/982308738.db2.gz NDDHEGRJQOAJAQ-BENRWUELSA-N 1 1 234.299 2.298 20 5 BEBDMO C/C(=C/c1ccccc1)C[N@@H+](C)CC[N+](=O)[O-] ZINC001351399191 982308747 /nfs/dbraw/zinc/30/87/47/982308747.db2.gz NDDHEGRJQOAJAQ-BENRWUELSA-N 1 1 234.299 2.298 20 5 BEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000351499545 136368844 /nfs/dbraw/zinc/36/88/44/136368844.db2.gz CQRLTYAGGNJIQV-QWRGUYRKSA-N 1 1 249.314 2.124 20 5 BEBDMO CC[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611084491 344246748 /nfs/dbraw/zinc/24/67/48/344246748.db2.gz BEGBEEMDANQRBZ-NSHDSACASA-N 1 1 249.314 2.125 20 5 BEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC=CCC1 ZINC000611517552 344747836 /nfs/dbraw/zinc/74/78/36/344747836.db2.gz OUNLIQFOXKJVCB-UHFFFAOYSA-N 1 1 248.282 2.365 20 5 BEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC=CCC1 ZINC000611517552 344747837 /nfs/dbraw/zinc/74/78/37/344747837.db2.gz OUNLIQFOXKJVCB-UHFFFAOYSA-N 1 1 248.282 2.365 20 5 BEBDMO Cc1noc(C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595293048 348215491 /nfs/dbraw/zinc/21/54/91/348215491.db2.gz WRKWANIMWVQIDA-MRVPVSSYSA-N 1 1 239.275 2.123 20 5 BEBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595293048 348215493 /nfs/dbraw/zinc/21/54/93/348215493.db2.gz WRKWANIMWVQIDA-MRVPVSSYSA-N 1 1 239.275 2.123 20 5 BEBDMO Cc1noc(C[N@H+](C)[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC000595285924 348212324 /nfs/dbraw/zinc/21/23/24/348212324.db2.gz BXRMEADOKPCNKY-SECBINFHSA-N 1 1 241.291 2.368 20 5 BEBDMO CC[C@@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595365166 348231211 /nfs/dbraw/zinc/23/12/11/348231211.db2.gz YMSMODPGMKMFKC-SSDOTTSWSA-N 1 1 227.264 2.122 20 5 BEBDMO CC[C@@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595365166 348231213 /nfs/dbraw/zinc/23/12/13/348231213.db2.gz YMSMODPGMKMFKC-SSDOTTSWSA-N 1 1 227.264 2.122 20 5 BEBDMO Cc1ccc(C[NH2+]Cc2ccno2)cc1[N+](=O)[O-] ZINC000231882715 351433717 /nfs/dbraw/zinc/43/37/17/351433717.db2.gz GUTOZDUVNJVZSX-UHFFFAOYSA-N 1 1 247.254 2.181 20 5 BEBDMO CC(C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000177993824 188165608 /nfs/dbraw/zinc/16/56/08/188165608.db2.gz GHCQQLLQOKUZHA-UHFFFAOYSA-N 1 1 214.290 2.497 20 5 BEBDMO CC(C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000177993824 188165610 /nfs/dbraw/zinc/16/56/10/188165610.db2.gz GHCQQLLQOKUZHA-UHFFFAOYSA-N 1 1 214.290 2.497 20 5 BEBDMO Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000611164975 358909657 /nfs/dbraw/zinc/90/96/57/358909657.db2.gz HXNSYQXHBBAFLM-UHFFFAOYSA-N 1 1 231.255 2.456 20 5 BEBDMO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000041014925 374046440 /nfs/dbraw/zinc/04/64/40/374046440.db2.gz UYNPISSFCKNDJM-SECBINFHSA-N 1 1 246.270 2.169 20 5 BEBDMO C[C@H](CF)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000309726052 384149598 /nfs/dbraw/zinc/14/95/98/384149598.db2.gz DCTZFAKAKSTCDB-SSDOTTSWSA-N 1 1 230.214 2.182 20 5 BEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC=CCC1 ZINC000611517339 384177537 /nfs/dbraw/zinc/17/75/37/384177537.db2.gz RIRXQKJZFBCSNB-UHFFFAOYSA-N 1 1 248.282 2.236 20 5 BEBDMO C[C@H](CF)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000336652809 384245368 /nfs/dbraw/zinc/24/53/68/384245368.db2.gz KTXJVYXOSQCWBA-ZCFIWIBFSA-N 1 1 218.253 2.104 20 5 BEBDMO CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336662445 384246470 /nfs/dbraw/zinc/24/64/70/384246470.db2.gz CLPJCPBTRPNRFZ-UHFFFAOYSA-N 1 1 212.224 2.186 20 5 BEBDMO CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336662445 384246477 /nfs/dbraw/zinc/24/64/77/384246477.db2.gz CLPJCPBTRPNRFZ-UHFFFAOYSA-N 1 1 212.224 2.186 20 5 BEBDMO C[C@@H]([NH2+]CCF)c1ccccc1[N+](=O)[O-] ZINC000308808591 384371088 /nfs/dbraw/zinc/37/10/88/384371088.db2.gz PMCSAUIDLWATBG-MRVPVSSYSA-N 1 1 212.224 2.215 20 5 BEBDMO Cc1ccc(C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000179304433 384853328 /nfs/dbraw/zinc/85/33/28/384853328.db2.gz UKLXVXYDKHVMHT-UHFFFAOYSA-N 1 1 220.272 2.497 20 5 BEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCF)CC2 ZINC000151790243 386709468 /nfs/dbraw/zinc/70/94/68/386709468.db2.gz FYXQKGCUUDRSES-UHFFFAOYSA-N 1 1 238.262 2.313 20 5 BEBDMO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000088750668 387721760 /nfs/dbraw/zinc/72/17/60/387721760.db2.gz BCPVPTHFXCHGLX-VIFPVBQESA-N 1 1 246.270 2.169 20 5 BEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC ZINC000175155617 388116427 /nfs/dbraw/zinc/11/64/27/388116427.db2.gz PGNDSIHZJXJXPS-UHFFFAOYSA-N 1 1 238.287 2.445 20 5 BEBDMO CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444614437 388517263 /nfs/dbraw/zinc/51/72/63/388517263.db2.gz WNMMINZUBWYZBT-UHFFFAOYSA-N 1 1 248.286 2.313 20 5 BEBDMO CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285444150 388834734 /nfs/dbraw/zinc/83/47/34/388834734.db2.gz XWFUWMNUQCOHNC-UHFFFAOYSA-N 1 1 208.261 2.089 20 5 BEBDMO CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153345582 388964755 /nfs/dbraw/zinc/96/47/55/388964755.db2.gz DWJDISQBZCAYII-UHFFFAOYSA-N 1 1 220.272 2.363 20 5 BEBDMO CN(c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000265996801 135146718 /nfs/dbraw/zinc/14/67/18/135146718.db2.gz JVMVZGWILYSMRL-NSHDSACASA-N 1 1 249.314 2.125 20 5 BEBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000059035204 411498700 /nfs/dbraw/zinc/49/87/00/411498700.db2.gz NSYFDQAYXVJJEY-UHFFFAOYSA-N 1 1 235.287 2.101 20 5 BEBDMO CCOCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000152153770 170389988 /nfs/dbraw/zinc/38/99/88/170389988.db2.gz RGBDHCYFVZQEKV-UHFFFAOYSA-N 1 1 238.287 2.063 20 5 BEBDMO CCc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1 ZINC000108658058 172027562 /nfs/dbraw/zinc/02/75/62/172027562.db2.gz SHSLCMVSODLMMF-UHFFFAOYSA-N 1 1 231.255 2.402 20 5 BEBDMO COCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266624967 174282491 /nfs/dbraw/zinc/28/24/91/174282491.db2.gz HCLSVKSOUSHOLL-JTQLQIEISA-N 1 1 238.287 2.234 20 5 BEBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000293454278 177263508 /nfs/dbraw/zinc/26/35/08/177263508.db2.gz POWWIXPZOOJDRW-VHSXEESVSA-N 1 1 220.272 2.435 20 5 BEBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C1CCCC1)CC2 ZINC000542775709 325045623 /nfs/dbraw/zinc/04/56/23/325045623.db2.gz HNPAZIBNZLIUAW-UHFFFAOYSA-N 1 1 247.298 2.291 20 5 BEBDMO CC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000791052133 583384429 /nfs/dbraw/zinc/38/44/29/583384429.db2.gz LWAASHDEVPZKPS-JTQLQIEISA-N 1 1 238.287 2.052 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000791052133 583384431 /nfs/dbraw/zinc/38/44/31/583384431.db2.gz LWAASHDEVPZKPS-JTQLQIEISA-N 1 1 238.287 2.052 20 5 BEBDMO O=[N+]([O-])c1cc(C[NH2+]C/C=C\Cl)cs1 ZINC000898435591 584136169 /nfs/dbraw/zinc/13/61/69/584136169.db2.gz JOMSPTBOMBSVPC-UPHRSURJSA-N 1 1 232.692 2.498 20 5 BEBDMO C[C@@H]1CCC[N@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000742427322 585126064 /nfs/dbraw/zinc/12/60/64/585126064.db2.gz HPYLCRZEDICJFZ-LLVKDONJSA-N 1 1 249.314 2.491 20 5 BEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cs1 ZINC000761083451 585407166 /nfs/dbraw/zinc/40/71/66/585407166.db2.gz JMYGXQTUFBXTGM-BDAKNGLRSA-N 1 1 224.285 2.251 20 5 BEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)cs1 ZINC000761083451 585407167 /nfs/dbraw/zinc/40/71/67/585407167.db2.gz JMYGXQTUFBXTGM-BDAKNGLRSA-N 1 1 224.285 2.251 20 5 BEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761090840 585407993 /nfs/dbraw/zinc/40/79/93/585407993.db2.gz IBUBCGKRPGZNFK-PWSUYJOCSA-N 1 1 248.282 2.068 20 5 BEBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791051343 585972596 /nfs/dbraw/zinc/97/25/96/585972596.db2.gz BFGVFANRHBGJHU-ZDUSSCGKSA-N 1 1 236.315 2.216 20 5 BEBDMO Cc1cccc([C@@H]2CCC[N@H+]2CC[N+](=O)[O-])c1 ZINC000791052956 585972870 /nfs/dbraw/zinc/97/28/70/585972870.db2.gz PZDWWFWURMTIRO-ZDUSSCGKSA-N 1 1 234.299 2.409 20 5 BEBDMO CC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000802651357 586308135 /nfs/dbraw/zinc/30/81/35/586308135.db2.gz NIFCJEBSTZOLDL-UHFFFAOYSA-N 1 1 206.245 2.047 20 5 BEBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000817131668 586783644 /nfs/dbraw/zinc/78/36/44/586783644.db2.gz KBBIKGPSBXEMKX-CYBMUJFWSA-N 1 1 249.314 2.125 20 5 BEBDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000871763605 589809320 /nfs/dbraw/zinc/80/93/20/589809320.db2.gz MAJXEKLXTVIKNP-UHFFFAOYSA-N 1 1 249.270 2.393 20 5 BEBDMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000878316245 590542213 /nfs/dbraw/zinc/54/22/13/590542213.db2.gz HNKYKMKGXJNMOC-WCQYABFASA-N 1 1 232.283 2.497 20 5 BEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000209670066 590655806 /nfs/dbraw/zinc/65/58/06/590655806.db2.gz MWYQZOTVDSARTG-GHMZBOCLSA-N 1 1 249.314 2.124 20 5 BEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000880292546 590987326 /nfs/dbraw/zinc/98/73/26/590987326.db2.gz QZPAKGCXPLGCIH-LLVKDONJSA-N 1 1 238.262 2.386 20 5 BEBDMO CC[C@@H](C)C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886005400 592128688 /nfs/dbraw/zinc/12/86/88/592128688.db2.gz ADHGSFAKNFNLJO-SNVBAGLBSA-N 1 1 237.303 2.468 20 5 BEBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886032568 592136362 /nfs/dbraw/zinc/13/63/62/592136362.db2.gz JCYHEDXBJNHKMR-VHSXEESVSA-N 1 1 235.287 2.220 20 5 BEBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000886288586 592200792 /nfs/dbraw/zinc/20/07/92/592200792.db2.gz CKODARVIEMTWNU-LLVKDONJSA-N 1 1 249.314 2.468 20 5 BEBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000123997550 634371458 /nfs/dbraw/zinc/37/14/58/634371458.db2.gz GNBHKJDOPPVJFQ-UHFFFAOYSA-N 1 1 238.291 2.013 20 5 BEBDMO CC[N@@H+](Cn1nccc1[N+](=O)[O-])C1CCCC1 ZINC000124000542 634372289 /nfs/dbraw/zinc/37/22/89/634372289.db2.gz KSFOAZAKZFQNSJ-UHFFFAOYSA-N 1 1 238.291 2.013 20 5 BEBDMO Cc1ccc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)c(C)c1 ZINC000930274600 639677886 /nfs/dbraw/zinc/67/78/86/639677886.db2.gz VSEBERUYWGBNCK-ZDUSSCGKSA-N 1 1 248.326 2.369 20 5 BEBDMO O=[N+]([O-])CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000930376804 639740161 /nfs/dbraw/zinc/74/01/61/639740161.db2.gz QZMPWKAURVSBTA-UHFFFAOYSA-N 1 1 232.283 2.052 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000930376804 639740167 /nfs/dbraw/zinc/74/01/67/639740167.db2.gz QZMPWKAURVSBTA-UHFFFAOYSA-N 1 1 232.283 2.052 20 5 BEBDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CC[N+](=O)[O-] ZINC000930492217 639781029 /nfs/dbraw/zinc/78/10/29/639781029.db2.gz FDWAHHDAMRQLTL-MNOVXSKESA-N 1 1 228.336 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QBOLQWZNLARULK-VIFPVBQESA-N 1 1 240.307 2.115 20 5 BEBDMO C[C@H]([N@@H+](C)Cn1nccc1[N+](=O)[O-])C(C)(C)C ZINC000917429178 642061886 /nfs/dbraw/zinc/06/18/86/642061886.db2.gz QBOLQWZNLARULK-VIFPVBQESA-N 1 1 240.307 2.115 20 5 BEBDMO CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000080112868 644234768 /nfs/dbraw/zinc/23/47/68/644234768.db2.gz TUALLWKKOWYEHU-UHFFFAOYSA-N 1 1 208.261 2.355 20 5 BEBDMO CC[N@H+](CC[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000929379592 646103508 /nfs/dbraw/zinc/10/35/08/646103508.db2.gz NGKKJCDVFCZQNA-UHFFFAOYSA-N 1 1 242.706 2.439 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000929379592 646103513 /nfs/dbraw/zinc/10/35/13/646103513.db2.gz NGKKJCDVFCZQNA-UHFFFAOYSA-N 1 1 242.706 2.439 20 5 BEBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000929713912 646266839 /nfs/dbraw/zinc/26/68/39/646266839.db2.gz HXOJKVHHRHUMLZ-TZMCWYRMSA-N 1 1 248.326 2.389 20 5 BEBDMO CCC(CC)[N@@H+](CC[N+](=O)[O-])CC(C)C ZINC000929786544 646315135 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CC[N@@H+](C(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009687 969334802 /nfs/dbraw/zinc/33/48/02/969334802.db2.gz XGRYNJGKBDVLLS-MNOVXSKESA-N 1 1 214.309 2.162 20 5 BEBDMO C[N@@H+](CCC1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039139 969356766 /nfs/dbraw/zinc/35/67/66/969356766.db2.gz NNSNFXFEHXGRAJ-NEPJUHHUSA-N 1 1 226.320 2.164 20 5 BEBDMO C[C@H]1C[C@@H](CF)[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014038 969342615 /nfs/dbraw/zinc/34/26/15/969342615.db2.gz YHRSSPOBIUKNCZ-BJDJZHNGSA-N 1 1 244.310 2.112 20 5 BEBDMO CC[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036835 969355271 /nfs/dbraw/zinc/35/52/71/969355271.db2.gz QEUMWEMISFMEFJ-TUAOUCFPSA-N 1 1 226.320 2.306 20 5 BEBDMO C[N@@H+](CC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038368 969355805 /nfs/dbraw/zinc/35/58/05/969355805.db2.gz YJCBEXMIMLIGOK-GHMZBOCLSA-N 1 1 228.336 2.410 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC3(CCC3)C2)C1 ZINC001169037567 969358468 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C[C@@H]1CC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593334 969746342 /nfs/dbraw/zinc/74/63/42/969746342.db2.gz KVPBZWPRDSSIBE-RNCFNFMXSA-N 1 1 232.283 2.156 20 5 BEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001173221843 975073894 /nfs/dbraw/zinc/07/38/94/975073894.db2.gz MRWQANASJPQTRI-WCFLWFBJSA-N 1 1 246.310 2.478 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC001334159942 976341619 /nfs/dbraw/zinc/34/16/19/976341619.db2.gz KORHVEKVUVMNCA-QWRGUYRKSA-N 1 1 214.309 2.164 20 5 BEBDMO Cc1cccc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)c1 ZINC001341025449 979195314 /nfs/dbraw/zinc/19/53/14/979195314.db2.gz OCHUGKIMRGIWBS-CYBMUJFWSA-N 1 1 234.299 2.061 20 5 BEBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)C1 ZINC000158658621 981304486 /nfs/dbraw/zinc/30/44/86/981304486.db2.gz XFURNPDALMPBCT-JTQLQIEISA-N 1 1 235.287 2.019 20 5 BEBDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC001262277776 992834677 /nfs/dbraw/zinc/83/46/77/992834677.db2.gz OGJOJTIAJIGJAA-GXTWGEPZSA-N 1 1 248.326 2.450 20 5 BEBDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000044986112 178026051 /nfs/dbraw/zinc/02/60/51/178026051.db2.gz YWYZCIPAKMCEOD-UHFFFAOYSA-N 1 1 247.254 2.181 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000600184955 342697965 /nfs/dbraw/zinc/69/79/65/342697965.db2.gz JAAMVVTWKAZGMI-PHIMTYICSA-N 1 1 218.256 2.047 20 5 BEBDMO CC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602803256 349742832 /nfs/dbraw/zinc/74/28/32/349742832.db2.gz AUJIZOSORCWKIY-JTQLQIEISA-N 1 1 236.271 2.143 20 5 BEBDMO CC[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611084490 344246320 /nfs/dbraw/zinc/24/63/20/344246320.db2.gz BEGBEEMDANQRBZ-LLVKDONJSA-N 1 1 249.314 2.125 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC=CCC1 ZINC000611517564 344749320 /nfs/dbraw/zinc/74/93/20/344749320.db2.gz QUZXCARLLJXSIJ-UHFFFAOYSA-N 1 1 218.256 2.357 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC=CCC1 ZINC000611517564 344749323 /nfs/dbraw/zinc/74/93/23/344749323.db2.gz QUZXCARLLJXSIJ-UHFFFAOYSA-N 1 1 218.256 2.357 20 5 BEBDMO Cc1cc(N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000076427647 344805493 /nfs/dbraw/zinc/80/54/93/344805493.db2.gz LONVRHSYAJSNFL-UHFFFAOYSA-N 1 1 249.314 2.045 20 5 BEBDMO Cc1noc(C[N@@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000595330521 348228119 /nfs/dbraw/zinc/22/81/19/348228119.db2.gz KLLSCKZWNHZEGU-UHFFFAOYSA-N 1 1 239.275 2.123 20 5 BEBDMO Cc1noc(C[N@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000595330521 348228123 /nfs/dbraw/zinc/22/81/23/348228123.db2.gz KLLSCKZWNHZEGU-UHFFFAOYSA-N 1 1 239.275 2.123 20 5 BEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595805743 348348236 /nfs/dbraw/zinc/34/82/36/348348236.db2.gz BNKKWSWNVXXCTE-STQMWFEESA-N 1 1 246.310 2.479 20 5 BEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595806751 348348348 /nfs/dbraw/zinc/34/83/48/348348348.db2.gz FYIPPRBVUYMWRU-RYUDHWBXSA-N 1 1 232.283 2.437 20 5 BEBDMO C[N@H+]1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000309475148 350562836 /nfs/dbraw/zinc/56/28/36/350562836.db2.gz RPWITYFKXUHXCM-QMMMGPOBSA-N 1 1 241.316 2.020 20 5 BEBDMO CCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000063755617 356424559 /nfs/dbraw/zinc/42/45/59/356424559.db2.gz HRUFZGWRZMLVMB-UHFFFAOYSA-N 1 1 238.287 2.315 20 5 BEBDMO CC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000077242907 325371230 /nfs/dbraw/zinc/37/12/30/325371230.db2.gz NHIURJPOTQKNIC-UHFFFAOYSA-N 1 1 224.260 2.055 20 5 BEBDMO COC[C@@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000194241199 367266924 /nfs/dbraw/zinc/26/69/24/367266924.db2.gz LKNSHAQLTLWPGA-MRVPVSSYSA-N 1 1 244.316 2.123 20 5 BEBDMO COC[C@@H](C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000194241199 367266927 /nfs/dbraw/zinc/26/69/27/367266927.db2.gz LKNSHAQLTLWPGA-MRVPVSSYSA-N 1 1 244.316 2.123 20 5 BEBDMO COC[C@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000194241182 367267107 /nfs/dbraw/zinc/26/71/07/367267107.db2.gz LKNSHAQLTLWPGA-QMMMGPOBSA-N 1 1 244.316 2.123 20 5 BEBDMO COC[C@H](C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000194241182 367267113 /nfs/dbraw/zinc/26/71/13/367267113.db2.gz LKNSHAQLTLWPGA-QMMMGPOBSA-N 1 1 244.316 2.123 20 5 BEBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000019983262 371214197 /nfs/dbraw/zinc/21/41/97/371214197.db2.gz BRXCVRHMBKTTTF-ZDUSSCGKSA-N 1 1 249.314 2.491 20 5 BEBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000019983256 371214214 /nfs/dbraw/zinc/21/42/14/371214214.db2.gz BRXCVRHMBKTTTF-CYBMUJFWSA-N 1 1 249.314 2.491 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccnc1 ZINC000020141266 371235727 /nfs/dbraw/zinc/23/57/27/371235727.db2.gz XAILGAVFWPVABA-UHFFFAOYSA-N 1 1 243.266 2.280 20 5 BEBDMO Cc1ccc(C[NH+]2CC3(CC3)C2)cc1[N+](=O)[O-] ZINC000334742889 371519403 /nfs/dbraw/zinc/51/94/03/371519403.db2.gz NQLHBNSUOFAVCS-UHFFFAOYSA-N 1 1 232.283 2.499 20 5 BEBDMO Cc1[nH+]ccn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171615526 372710864 /nfs/dbraw/zinc/71/08/64/372710864.db2.gz MPSHESRKUUGVCM-UHFFFAOYSA-N 1 1 235.218 2.287 20 5 BEBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293454280 385744952 /nfs/dbraw/zinc/74/49/52/385744952.db2.gz POWWIXPZOOJDRW-ZJUUUORDSA-N 1 1 220.272 2.435 20 5 BEBDMO Cc1ccc(C[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000334478580 386167233 /nfs/dbraw/zinc/16/72/33/386167233.db2.gz QTPDMTIQONHEDL-UHFFFAOYSA-N 1 1 220.272 2.355 20 5 BEBDMO CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183252270 386416895 /nfs/dbraw/zinc/41/68/95/386416895.db2.gz SCUCSWRCOIRHRC-UHFFFAOYSA-N 1 1 208.261 2.355 20 5 BEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCCC2)c(F)c1 ZINC000267082782 386811792 /nfs/dbraw/zinc/81/17/92/386811792.db2.gz YLSABVILXCQPNF-UHFFFAOYSA-N 1 1 224.235 2.330 20 5 BEBDMO CC[N@@H+](C)[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000302764558 388345338 /nfs/dbraw/zinc/34/53/38/388345338.db2.gz LDYNGKSSNYKPHX-NSHDSACASA-N 1 1 249.314 2.125 20 5 BEBDMO CC[N@@H+](C)[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000302764551 388345363 /nfs/dbraw/zinc/34/53/63/388345363.db2.gz LDYNGKSSNYKPHX-LLVKDONJSA-N 1 1 249.314 2.125 20 5 BEBDMO C[C@@H]([NH2+]Cc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000054765051 388584873 /nfs/dbraw/zinc/58/48/73/388584873.db2.gz NMWFLACWFOKWGT-SECBINFHSA-N 1 1 246.270 2.169 20 5 BEBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCF)C2 ZINC000153218163 388951584 /nfs/dbraw/zinc/95/15/84/388951584.db2.gz UCZQQUFQPMXCOG-UHFFFAOYSA-N 1 1 238.262 2.313 20 5 BEBDMO Cc1c[nH+]c(Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001650854145 1172904916 /nfs/dbraw/zinc/90/49/16/1172904916.db2.gz XIXGZLWDSIDNDY-UHFFFAOYSA-N 1 1 218.216 2.370 20 5 BEBDMO C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000044563076 173009731 /nfs/dbraw/zinc/00/97/31/173009731.db2.gz FMIFRSSJOYPLNX-ZDUSSCGKSA-N 1 1 249.314 2.491 20 5 BEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000293405620 176308222 /nfs/dbraw/zinc/30/82/22/176308222.db2.gz MAGCNCLIQVJUFS-NXEZZACHSA-N 1 1 220.272 2.435 20 5 BEBDMO Cc1c(C[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000047914423 323072038 /nfs/dbraw/zinc/07/20/38/323072038.db2.gz UFIYCEWMRRRAIZ-UHFFFAOYSA-N 1 1 220.272 2.497 20 5 BEBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000791051383 583383746 /nfs/dbraw/zinc/38/37/46/583383746.db2.gz CGCCPGJWCKCFSU-LBPRGKRZSA-N 1 1 238.262 2.239 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000791051383 583383748 /nfs/dbraw/zinc/38/37/48/583383748.db2.gz CGCCPGJWCKCFSU-LBPRGKRZSA-N 1 1 238.262 2.239 20 5 BEBDMO Cc1cc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])s1 ZINC000895769095 583723779 /nfs/dbraw/zinc/72/37/79/583723779.db2.gz OAOMGKWJDWXNEO-MRVPVSSYSA-N 1 1 241.316 2.081 20 5 BEBDMO Cc1cc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])s1 ZINC000895769095 583723781 /nfs/dbraw/zinc/72/37/81/583723781.db2.gz OAOMGKWJDWXNEO-MRVPVSSYSA-N 1 1 241.316 2.081 20 5 BEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761091900 584909618 /nfs/dbraw/zinc/90/96/18/584909618.db2.gz MGPATNVZNNFVJV-PELKAZGASA-N 1 1 236.246 2.328 20 5 BEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761091900 584909619 /nfs/dbraw/zinc/90/96/19/584909619.db2.gz MGPATNVZNNFVJV-PELKAZGASA-N 1 1 236.246 2.328 20 5 BEBDMO C[C@@H]1CCCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738227131 585041856 /nfs/dbraw/zinc/04/18/56/585041856.db2.gz RVRAXOIGDHLEGV-SNVBAGLBSA-N 1 1 238.291 2.013 20 5 BEBDMO C[C@@H]1CCCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738227131 585041857 /nfs/dbraw/zinc/04/18/57/585041857.db2.gz RVRAXOIGDHLEGV-SNVBAGLBSA-N 1 1 238.291 2.013 20 5 BEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348523 585133813 /nfs/dbraw/zinc/13/38/13/585133813.db2.gz NXUHTMWFVANHCT-AOOOYVTPSA-N 1 1 236.246 2.186 20 5 BEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348523 585133814 /nfs/dbraw/zinc/13/38/14/585133814.db2.gz NXUHTMWFVANHCT-AOOOYVTPSA-N 1 1 236.246 2.186 20 5 BEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761090289 585407886 /nfs/dbraw/zinc/40/78/86/585407886.db2.gz HWSVWTKNNWZFNW-SKDRFNHKSA-N 1 1 248.282 2.198 20 5 BEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761090289 585407887 /nfs/dbraw/zinc/40/78/87/585407887.db2.gz HWSVWTKNNWZFNW-SKDRFNHKSA-N 1 1 248.282 2.198 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000791054807 585972997 /nfs/dbraw/zinc/97/29/97/585972997.db2.gz YIGINLFOUHYFFR-SECBINFHSA-N 1 1 226.301 2.162 20 5 BEBDMO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1cc(F)ccc1F ZINC000791053862 585973006 /nfs/dbraw/zinc/97/30/06/585973006.db2.gz IKOIUCNMDNYAHH-LLVKDONJSA-N 1 1 244.241 2.282 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC=CCC2)cc1F ZINC000801537660 586261236 /nfs/dbraw/zinc/26/12/36/586261236.db2.gz WUTZCSGGQIOPLA-UHFFFAOYSA-N 1 1 236.246 2.496 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC=CCC2)cc1F ZINC000801537660 586261239 /nfs/dbraw/zinc/26/12/39/586261239.db2.gz WUTZCSGGQIOPLA-UHFFFAOYSA-N 1 1 236.246 2.496 20 5 BEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000851877578 588638522 /nfs/dbraw/zinc/63/85/22/588638522.db2.gz LQCKFWCWAQNVJA-KCJUWKMLSA-N 1 1 236.246 2.328 20 5 BEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000851877578 588638523 /nfs/dbraw/zinc/63/85/23/588638523.db2.gz LQCKFWCWAQNVJA-KCJUWKMLSA-N 1 1 236.246 2.328 20 5 BEBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000882961750 591486511 /nfs/dbraw/zinc/48/65/11/591486511.db2.gz WSHNCDLXKBIJSH-QMMMGPOBSA-N 1 1 241.316 2.162 20 5 BEBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885943019 592111547 /nfs/dbraw/zinc/11/15/47/592111547.db2.gz WBNUTQGPLUJSEM-SNVBAGLBSA-N 1 1 237.303 2.466 20 5 BEBDMO CC(C)[C@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885943018 592112299 /nfs/dbraw/zinc/11/22/99/592112299.db2.gz WBNUTQGPLUJSEM-JTQLQIEISA-N 1 1 237.303 2.466 20 5 BEBDMO C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885944462 592113183 /nfs/dbraw/zinc/11/31/83/592113183.db2.gz QNESGQZFXVMOCO-JTQLQIEISA-N 1 1 235.287 2.222 20 5 BEBDMO CC(C)CC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885960222 592116143 /nfs/dbraw/zinc/11/61/43/592116143.db2.gz IDSDWZGKKLUHKC-UHFFFAOYSA-N 1 1 237.303 2.468 20 5 BEBDMO CCC[N@@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000885967827 592117565 /nfs/dbraw/zinc/11/75/65/592117565.db2.gz ZDYAPNDRLLMMBS-UHFFFAOYSA-N 1 1 223.276 2.222 20 5 BEBDMO CC(C)[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886038280 592138076 /nfs/dbraw/zinc/13/80/76/592138076.db2.gz SLXPVVFBNYAFMU-NSHDSACASA-N 1 1 249.314 2.468 20 5 BEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886039286 592138806 /nfs/dbraw/zinc/13/88/06/592138806.db2.gz JMGRLWIWIOLVLQ-AOOOYVTPSA-N 1 1 235.287 2.363 20 5 BEBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886098421 592147387 /nfs/dbraw/zinc/14/73/87/592147387.db2.gz MBZULQFLHIAVDM-GHMZBOCLSA-N 1 1 249.314 2.468 20 5 BEBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(C2CC2)cc1F ZINC000905262084 637715515 /nfs/dbraw/zinc/71/55/15/637715515.db2.gz JBTHJGDGQDYJHX-UHFFFAOYSA-N 1 1 238.262 2.069 20 5 BEBDMO Cc1cc([NH+]2CCCC2)ccc1NCC[N+](=O)[O-] ZINC000905298311 637726644 /nfs/dbraw/zinc/72/66/44/637726644.db2.gz AISNXKHMYKWULO-UHFFFAOYSA-N 1 1 249.314 2.284 20 5 BEBDMO O=[N+]([O-])CCNc1ccc([NH+]2CCCCC2)cc1 ZINC000905301170 637762893 /nfs/dbraw/zinc/76/28/93/637762893.db2.gz RXWDLIITARPCJM-UHFFFAOYSA-N 1 1 249.314 2.366 20 5 BEBDMO O=[N+]([O-])CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000930819626 639921772 /nfs/dbraw/zinc/92/17/72/639921772.db2.gz YNYINYIUBYQNHS-UHFFFAOYSA-N 1 1 238.262 2.071 20 5 BEBDMO CCC1(CC)CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931014067 640019303 /nfs/dbraw/zinc/01/93/03/640019303.db2.gz BNEZDJMYGRWJNQ-UHFFFAOYSA-N 1 1 214.309 2.165 20 5 BEBDMO C[C@]1(c2ccccc2)CCC[N@H+]1CC[N+](=O)[O-] ZINC000931693658 640321034 /nfs/dbraw/zinc/32/10/34/640321034.db2.gz DXRNLWXRLRFPDN-CYBMUJFWSA-N 1 1 234.299 2.274 20 5 BEBDMO O=[N+]([O-])CC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000931705158 640327267 /nfs/dbraw/zinc/32/72/67/640327267.db2.gz CVRSGFHHFOUULH-GWCFXTLKSA-N 1 1 232.283 2.197 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000931705158 640327271 /nfs/dbraw/zinc/32/72/71/640327271.db2.gz CVRSGFHHFOUULH-GWCFXTLKSA-N 1 1 232.283 2.197 20 5 BEBDMO Cc1cccc(C)c1C[N@@H+](C)CC[N+](=O)[O-] ZINC000933763159 640764755 /nfs/dbraw/zinc/76/47/55/640764755.db2.gz ROIMTDJLHUIFQH-UHFFFAOYSA-N 1 1 222.288 2.012 20 5 BEBDMO CCCC[N@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000917427884 642062495 /nfs/dbraw/zinc/06/24/95/642062495.db2.gz BFUCPJIMEOFPRW-UHFFFAOYSA-N 1 1 238.291 2.013 20 5 BEBDMO CCCC[N@@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000917427884 642062496 /nfs/dbraw/zinc/06/24/96/642062496.db2.gz BFUCPJIMEOFPRW-UHFFFAOYSA-N 1 1 238.291 2.013 20 5 BEBDMO CC[C@H](C)C[N@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000174944601 642639964 /nfs/dbraw/zinc/63/99/64/642639964.db2.gz SAIUFEFFTYWIFA-JTQLQIEISA-N 1 1 240.307 2.117 20 5 BEBDMO CC[C@H](C)C[N@@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000174944601 642639967 /nfs/dbraw/zinc/63/99/67/642639967.db2.gz SAIUFEFFTYWIFA-JTQLQIEISA-N 1 1 240.307 2.117 20 5 BEBDMO O=[N+]([O-])CC[N@@H+](C1CC1)C1CCCCC1 ZINC000929271801 643884317 /nfs/dbraw/zinc/88/43/17/643884317.db2.gz RLBKCNPMCIUZRN-UHFFFAOYSA-N 1 1 212.293 2.060 20 5 BEBDMO CCC(CC)C[N@@H+](CC)CC[N+](=O)[O-] ZINC000929261846 646045099 /nfs/dbraw/zinc/04/50/99/646045099.db2.gz PGOBUPTUKCXXQX-UHFFFAOYSA-N 1 1 202.298 2.021 20 5 BEBDMO C[N@@H+](CCC1CCCCC1)CC[N+](=O)[O-] ZINC000929470485 646130056 /nfs/dbraw/zinc/13/00/56/646130056.db2.gz WRPROWNZRMRVQI-UHFFFAOYSA-N 1 1 214.309 2.165 20 5 BEBDMO CC(C)C[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930029313 646400718 /nfs/dbraw/zinc/40/07/18/646400718.db2.gz OBGLWODBWUZSPB-LLVKDONJSA-N 1 1 214.309 2.164 20 5 BEBDMO CCC[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791054344 712422363 /nfs/dbraw/zinc/42/23/63/712422363.db2.gz TUHUZDWKTMEFRK-UHFFFAOYSA-N 1 1 222.288 2.175 20 5 BEBDMO Cc1cccc(NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000712603157 712436898 /nfs/dbraw/zinc/43/68/98/712436898.db2.gz FHMGFSVAEBUSTL-JTQLQIEISA-N 1 1 235.287 2.019 20 5 BEBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000712606677 712437348 /nfs/dbraw/zinc/43/73/48/712437348.db2.gz NPOXZIQANOULMO-LBPRGKRZSA-N 1 1 249.314 2.409 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C)c1 ZINC000712610273 712437659 /nfs/dbraw/zinc/43/76/59/712437659.db2.gz YKNCYUPHWULORJ-SNVBAGLBSA-N 1 1 235.287 2.019 20 5 BEBDMO C[C@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719578064 712812063 /nfs/dbraw/zinc/81/20/63/712812063.db2.gz MHPBAROIEDIXPB-VHSXEESVSA-N 1 1 235.287 2.099 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H](F)C2)C1 ZINC001169012337 969340260 /nfs/dbraw/zinc/34/02/60/969340260.db2.gz PETSIEIHKMXWOG-GRYCIOLGSA-N 1 1 244.310 2.256 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC23CC3)C1 ZINC001169005677 969331418 /nfs/dbraw/zinc/33/14/18/969331418.db2.gz CDVMNGRAXLJDNX-GHMZBOCLSA-N 1 1 224.304 2.060 20 5 BEBDMO CCC[N@@H+](CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009784 969335886 /nfs/dbraw/zinc/33/58/86/969335886.db2.gz YEDKAMHUDXRYAD-WDEREUQCSA-N 1 1 214.309 2.164 20 5 BEBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169010590 969339539 /nfs/dbraw/zinc/33/95/39/969339539.db2.gz DWLUHJMSQRWGGL-DDHJBXDOSA-N 1 1 244.310 2.112 20 5 BEBDMO C[C@H]1C[C@@H](CF)[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014039 969340910 /nfs/dbraw/zinc/34/09/10/969340910.db2.gz YHRSSPOBIUKNCZ-QCNOEVLYSA-N 1 1 244.310 2.112 20 5 BEBDMO C[N@@H+](CC1CCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037515 969355348 /nfs/dbraw/zinc/35/53/48/969355348.db2.gz SAGGHOYXWCOSCE-VXGBXAGGSA-N 1 1 226.320 2.164 20 5 BEBDMO CC1(C)[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169038483 969356555 /nfs/dbraw/zinc/35/65/55/969356555.db2.gz ZCJAYPDREYQOCN-KKOKHZNYSA-N 1 1 238.331 2.020 20 5 BEBDMO CC[C@H](C)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169019832 969361872 /nfs/dbraw/zinc/36/18/72/969361872.db2.gz JVDSKROXNDDULC-AXFHLTTASA-N 1 1 214.309 2.162 20 5 BEBDMO C[N@H+]1CCC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227481386 975462453 /nfs/dbraw/zinc/46/24/53/975462453.db2.gz VCIVVHKTGOBNKE-SNVBAGLBSA-N 1 1 236.271 2.068 20 5 BEBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cc2ccccc2o1 ZINC001337776653 978493576 /nfs/dbraw/zinc/49/35/76/978493576.db2.gz BNDHLEPSZCHQJE-SECBINFHSA-N 1 1 234.255 2.360 20 5 BEBDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1CC[N+](=O)[O-] ZINC001341105095 979229951 /nfs/dbraw/zinc/22/99/51/979229951.db2.gz JFZKYULJHXKDRJ-AWEZNQCLSA-N 1 1 248.326 2.360 20 5 BEBDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC001618778518 1170650331 /nfs/dbraw/zinc/65/03/31/1170650331.db2.gz YFMIBMCDUAIKOQ-NWDGAFQWSA-N 1 1 240.347 2.411 20 5 BEBDMO CSCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000097221894 398259303 /nfs/dbraw/zinc/25/93/03/398259303.db2.gz DAPOVVPDOPAWIB-UHFFFAOYSA-N 1 1 240.328 2.390 20 5 BEBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000231043665 398322076 /nfs/dbraw/zinc/32/20/76/398322076.db2.gz SQYXKABVFNKTTQ-SECBINFHSA-N 1 1 246.270 2.169 20 5 BEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000351499547 136369073 /nfs/dbraw/zinc/36/90/73/136369073.db2.gz CQRLTYAGGNJIQV-WDEREUQCSA-N 1 1 249.314 2.124 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[NH2+]CC1(F)CC1 ZINC000381398666 344502826 /nfs/dbraw/zinc/50/28/26/344502826.db2.gz AUALXVJPPZKMMF-UHFFFAOYSA-N 1 1 224.235 2.187 20 5 BEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC=CCC2)c1 ZINC000611517418 344748771 /nfs/dbraw/zinc/74/87/71/344748771.db2.gz AGYHLQAAHQOHPB-UHFFFAOYSA-N 1 1 248.282 2.236 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C)CC2)c1 ZINC000088698473 345543230 /nfs/dbraw/zinc/54/32/30/345543230.db2.gz WSLJXDZGTRBNLC-UHFFFAOYSA-N 1 1 249.314 2.045 20 5 BEBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595289631 348213250 /nfs/dbraw/zinc/21/32/50/348213250.db2.gz GJYFGUOVVXXRFB-UHFFFAOYSA-N 1 1 224.235 2.328 20 5 BEBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595289631 348213252 /nfs/dbraw/zinc/21/32/52/348213252.db2.gz GJYFGUOVVXXRFB-UHFFFAOYSA-N 1 1 224.235 2.328 20 5 BEBDMO Cc1noc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595334762 348220490 /nfs/dbraw/zinc/22/04/90/348220490.db2.gz VVJZHRZHAMNCIC-YUMQZZPRSA-N 1 1 239.275 2.122 20 5 BEBDMO Cc1noc(C[N@H+]2C[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595334755 348220666 /nfs/dbraw/zinc/22/06/66/348220666.db2.gz VVJZHRZHAMNCIC-HTQZYQBOSA-N 1 1 239.275 2.122 20 5 BEBDMO Cc1noc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595338129 348220761 /nfs/dbraw/zinc/22/07/61/348220761.db2.gz FLDDUYJMAIWNBU-OCAPTIKFSA-N 1 1 239.275 2.264 20 5 BEBDMO Cc1noc(C[N@@H+](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000595558826 348280452 /nfs/dbraw/zinc/28/04/52/348280452.db2.gz QKOMQCZLPZGDOE-UHFFFAOYSA-N 1 1 227.264 2.122 20 5 BEBDMO Cc1noc(C[N@H+](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000595558826 348280453 /nfs/dbraw/zinc/28/04/53/348280453.db2.gz QKOMQCZLPZGDOE-UHFFFAOYSA-N 1 1 227.264 2.122 20 5 BEBDMO C[C@@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343454558 350970282 /nfs/dbraw/zinc/97/02/82/350970282.db2.gz IOIIAXKYKKVRJN-GHMZBOCLSA-N 1 1 249.314 2.489 20 5 BEBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343569855 350976243 /nfs/dbraw/zinc/97/62/43/350976243.db2.gz YTPRUKHHKREOLF-GXFFZTMASA-N 1 1 249.314 2.489 20 5 BEBDMO CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000063756002 356424975 /nfs/dbraw/zinc/42/49/75/356424975.db2.gz RUTYTCZSPOFAHT-UHFFFAOYSA-N 1 1 214.290 2.498 20 5 BEBDMO CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000063756002 356424979 /nfs/dbraw/zinc/42/49/79/356424979.db2.gz RUTYTCZSPOFAHT-UHFFFAOYSA-N 1 1 214.290 2.498 20 5 BEBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000090795297 363880183 /nfs/dbraw/zinc/88/01/83/363880183.db2.gz YAKKAWOLXJYMNE-JQWIXIFHSA-N 1 1 249.314 2.489 20 5 BEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444596708 193052338 /nfs/dbraw/zinc/05/23/38/193052338.db2.gz XQSJZXCHECGBRH-UHFFFAOYSA-N 1 1 246.270 2.065 20 5 BEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444596708 193052340 /nfs/dbraw/zinc/05/23/40/193052340.db2.gz XQSJZXCHECGBRH-UHFFFAOYSA-N 1 1 246.270 2.065 20 5 BEBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000116073385 369019122 /nfs/dbraw/zinc/01/91/22/369019122.db2.gz KHJBPXHXSDVQNW-UHFFFAOYSA-N 1 1 249.314 2.125 20 5 BEBDMO Cc1cc(C)c(Cn2nccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000601075195 371726617 /nfs/dbraw/zinc/72/66/17/371726617.db2.gz LOFJSUVDUSRGIF-UHFFFAOYSA-N 1 1 246.270 2.160 20 5 BEBDMO C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000601187918 371735293 /nfs/dbraw/zinc/73/52/93/371735293.db2.gz ZYMLQYAGCBFISZ-UHFFFAOYSA-N 1 1 249.314 2.125 20 5 BEBDMO C/C=C/C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602725663 371835073 /nfs/dbraw/zinc/83/50/73/371835073.db2.gz SKMCDEUIRLLIHL-NSCUHMNNSA-N 1 1 247.254 2.402 20 5 BEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000285296558 384440868 /nfs/dbraw/zinc/44/08/68/384440868.db2.gz KUNNNKDTSIZWLY-UHFFFAOYSA-N 1 1 234.299 2.479 20 5 BEBDMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000302782421 388345152 /nfs/dbraw/zinc/34/51/52/388345152.db2.gz SOTFNIMTTZKPRQ-CYBMUJFWSA-N 1 1 249.314 2.125 20 5 BEBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271823156 388407005 /nfs/dbraw/zinc/40/70/05/388407005.db2.gz NLQQYAVTCUDLQP-UHFFFAOYSA-N 1 1 247.298 2.269 20 5 BEBDMO CC[C@H](C)C[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595316468 388381494 /nfs/dbraw/zinc/38/14/94/388381494.db2.gz GKJBBAYTJILEHH-QMMMGPOBSA-N 1 1 241.291 2.369 20 5 BEBDMO CC[C@H](C)C[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595316468 388381497 /nfs/dbraw/zinc/38/14/97/388381497.db2.gz GKJBBAYTJILEHH-QMMMGPOBSA-N 1 1 241.291 2.369 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000447070172 388451215 /nfs/dbraw/zinc/45/12/15/388451215.db2.gz RMWOOPKSUUJHOP-NSHDSACASA-N 1 1 249.314 2.044 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@H]2C)c1 ZINC000447070168 388735162 /nfs/dbraw/zinc/73/51/62/388735162.db2.gz RMWOOPKSUUJHOP-LLVKDONJSA-N 1 1 249.314 2.044 20 5 BEBDMO CC[C@@H](C)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726033 388799504 /nfs/dbraw/zinc/79/95/04/388799504.db2.gz UCPWHRIRGBRGOG-SNVBAGLBSA-N 1 1 249.314 2.394 20 5 BEBDMO CN(c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000265996800 135146750 /nfs/dbraw/zinc/14/67/50/135146750.db2.gz JVMVZGWILYSMRL-LLVKDONJSA-N 1 1 249.314 2.125 20 5 BEBDMO Cc1[nH+]ccn1/C=C/c1ccc([N+](=O)[O-])o1 ZINC001651882629 1173001273 /nfs/dbraw/zinc/00/12/73/1173001273.db2.gz YTDDPFJSEHLYBS-GQCTYLIASA-N 1 1 219.200 2.321 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000094659409 411170001 /nfs/dbraw/zinc/17/00/01/411170001.db2.gz LLORHOYTXRXTDI-NSHDSACASA-N 1 1 249.314 2.267 20 5 BEBDMO CC[C@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337324259 171319808 /nfs/dbraw/zinc/31/98/08/171319808.db2.gz UFGFPUSSIGGEEV-VIFPVBQESA-N 1 1 235.287 2.146 20 5 BEBDMO C[N@H+]1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000221258888 173033420 /nfs/dbraw/zinc/03/34/20/173033420.db2.gz BEGNYVDNJLIDOJ-SNVBAGLBSA-N 1 1 235.287 2.101 20 5 BEBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000299643833 176176254 /nfs/dbraw/zinc/17/62/54/176176254.db2.gz NJFDFCXWRSHFIL-SNVBAGLBSA-N 1 1 220.272 2.437 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000791053054 583385405 /nfs/dbraw/zinc/38/54/05/583385405.db2.gz SEHSGERYZSCLMC-NSHDSACASA-N 1 1 238.287 2.473 20 5 BEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761100157 585409127 /nfs/dbraw/zinc/40/91/27/585409127.db2.gz WMMSDVHEEXJMKP-WCQYABFASA-N 1 1 232.283 2.232 20 5 BEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000774536836 585661078 /nfs/dbraw/zinc/66/10/78/585661078.db2.gz MWYQZOTVDSARTG-QWRGUYRKSA-N 1 1 249.314 2.124 20 5 BEBDMO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000791051587 585972747 /nfs/dbraw/zinc/97/27/47/585972747.db2.gz GAJFOCPXOQECAL-GHMZBOCLSA-N 1 1 238.287 2.329 20 5 BEBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000791051587 585972748 /nfs/dbraw/zinc/97/27/48/585972748.db2.gz GAJFOCPXOQECAL-GHMZBOCLSA-N 1 1 238.287 2.329 20 5 BEBDMO C[C@H]1CC[N@H+](CC[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000791051591 585972814 /nfs/dbraw/zinc/97/28/14/585972814.db2.gz GAJFOCPXOQECAL-WDEREUQCSA-N 1 1 238.287 2.329 20 5 BEBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000791051591 585972815 /nfs/dbraw/zinc/97/28/15/585972815.db2.gz GAJFOCPXOQECAL-WDEREUQCSA-N 1 1 238.287 2.329 20 5 BEBDMO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1F ZINC000791055300 585973071 /nfs/dbraw/zinc/97/30/71/585973071.db2.gz RLDJKGNEPXWWLO-NSHDSACASA-N 1 1 244.241 2.282 20 5 BEBDMO C[C@H](c1cccs1)[N@H+](C)CC[N+](=O)[O-] ZINC000791053212 585973217 /nfs/dbraw/zinc/97/32/17/585973217.db2.gz JIYXWSDNSPLBAT-MRVPVSSYSA-N 1 1 214.290 2.018 20 5 BEBDMO C[C@H](c1cccs1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053212 585973218 /nfs/dbraw/zinc/97/32/18/585973218.db2.gz JIYXWSDNSPLBAT-MRVPVSSYSA-N 1 1 214.290 2.018 20 5 BEBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000791054153 585973434 /nfs/dbraw/zinc/97/34/34/585973434.db2.gz XZPMCYOGZQNPIN-QWHCGFSZSA-N 1 1 248.326 2.450 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880288709 590984793 /nfs/dbraw/zinc/98/47/93/590984793.db2.gz DRLLRTZTMRGFEU-JTQLQIEISA-N 1 1 238.262 2.386 20 5 BEBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886249099 592185452 /nfs/dbraw/zinc/18/54/52/592185452.db2.gz CPNULRMKQKUDFC-OUAUKWLOSA-N 1 1 249.314 2.466 20 5 BEBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000886288587 592201287 /nfs/dbraw/zinc/20/12/87/592201287.db2.gz CKODARVIEMTWNU-NSHDSACASA-N 1 1 249.314 2.468 20 5 BEBDMO C[N@@H+](CC[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000930741909 634080508 /nfs/dbraw/zinc/08/05/08/634080508.db2.gz BTJCXFSTZWSOSG-MNOVXSKESA-N 1 1 228.336 2.410 20 5 BEBDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC[N+](=O)[O-])C1 ZINC000930473734 639770103 /nfs/dbraw/zinc/77/01/03/639770103.db2.gz BJEPBBBEDNCFJF-DGCLKSJQSA-N 1 1 234.299 2.346 20 5 BEBDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC[N+](=O)[O-])C1 ZINC000930473733 639770914 /nfs/dbraw/zinc/77/09/14/639770914.db2.gz BJEPBBBEDNCFJF-AAEUAGOBSA-N 1 1 234.299 2.346 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000930564801 639811421 /nfs/dbraw/zinc/81/14/21/639811421.db2.gz NUMQOZAYICGBQA-ZDUSSCGKSA-N 1 1 234.299 2.143 20 5 BEBDMO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1F ZINC000930883691 639970906 /nfs/dbraw/zinc/97/09/06/639970906.db2.gz IILWSLDDDBSLNV-LLVKDONJSA-N 1 1 226.251 2.143 20 5 BEBDMO C[C@]1(C2CCCCC2)CC[N@H+]1CC[N+](=O)[O-] ZINC000931571800 640279542 /nfs/dbraw/zinc/27/95/42/640279542.db2.gz VCPCXSPQOUNXCL-GFCCVEGCSA-N 1 1 226.320 2.308 20 5 BEBDMO CC[C@H](C)C[N@@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000174946980 642640700 /nfs/dbraw/zinc/64/07/00/642640700.db2.gz RCPXIDDLCJIUCL-JTQLQIEISA-N 1 1 240.307 2.117 20 5 BEBDMO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000228508885 644163945 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CC[C@H](C)[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169019834 969359880 /nfs/dbraw/zinc/35/98/80/969359880.db2.gz JVDSKROXNDDULC-DCAQKATOSA-N 1 1 214.309 2.162 20 5 BEBDMO CC(C)[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595979 969743997 /nfs/dbraw/zinc/74/39/97/969743997.db2.gz APOQSMOEXXSNTJ-ZDUSSCGKSA-N 1 1 234.299 2.402 20 5 BEBDMO C[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763384 975064367 /nfs/dbraw/zinc/06/43/67/975064367.db2.gz RIHRNFAYGSOXNU-LBPRGKRZSA-N 1 1 236.271 2.068 20 5 BEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001173221842 975074760 /nfs/dbraw/zinc/07/47/60/975074760.db2.gz MRWQANASJPQTRI-RTXFEEFZSA-N 1 1 246.310 2.478 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001334783574 976657338 /nfs/dbraw/zinc/65/73/38/976657338.db2.gz HXTABQWAYFMOLS-CYBMUJFWSA-N 1 1 234.299 2.490 20 5 BEBDMO C[N@H+]1CC[C@@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229119929 976754124 /nfs/dbraw/zinc/75/41/24/976754124.db2.gz 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O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)cs1 ZINC000595808660 348349401 /nfs/dbraw/zinc/34/94/01/348349401.db2.gz OSCFUKJAPNAVSF-UWVGGRQHSA-N 1 1 238.312 2.498 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595810021 348350069 /nfs/dbraw/zinc/35/00/69/348350069.db2.gz VRVYGQNRICPYIY-VXGBXAGGSA-N 1 1 232.283 2.437 20 5 BEBDMO CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603911023 350050598 /nfs/dbraw/zinc/05/05/98/350050598.db2.gz PROBHAYXZZMEGJ-UHFFFAOYSA-N 1 1 208.261 2.089 20 5 BEBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343569854 350976740 /nfs/dbraw/zinc/97/67/40/350976740.db2.gz YTPRUKHHKREOLF-GWCFXTLKSA-N 1 1 249.314 2.489 20 5 BEBDMO C[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795061 360089038 /nfs/dbraw/zinc/08/90/38/360089038.db2.gz GWHFYDWMNAZFDJ-QWRGUYRKSA-N 1 1 249.314 2.489 20 5 BEBDMO CC(F)(F)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602673153 371830944 /nfs/dbraw/zinc/83/09/44/371830944.db2.gz CGTRAZCTEQAVFZ-UHFFFAOYSA-N 1 1 244.241 2.382 20 5 BEBDMO C[C@H](C[N@@H+](C)CC[N+](=O)[O-])C1CCCCC1 ZINC001644109505 1172526370 /nfs/dbraw/zinc/52/63/70/1172526370.db2.gz RJESSJLPYQERHN-LLVKDONJSA-N 1 1 228.336 2.411 20 5 BEBDMO CO[C@@H](C)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000285648145 384184865 /nfs/dbraw/zinc/18/48/65/384184865.db2.gz LOSCGNLLGVNMCX-QMMMGPOBSA-N 1 1 244.316 2.123 20 5 BEBDMO CO[C@@H](C)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000285648145 384184868 /nfs/dbraw/zinc/18/48/68/384184868.db2.gz LOSCGNLLGVNMCX-QMMMGPOBSA-N 1 1 244.316 2.123 20 5 BEBDMO C[N@@H+](CCCF)Cc1ccccc1[N+](=O)[O-] ZINC000178265353 384883064 /nfs/dbraw/zinc/88/30/64/384883064.db2.gz SOMXJSMAERYXPJ-UHFFFAOYSA-N 1 1 226.251 2.386 20 5 BEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000087225976 386745044 /nfs/dbraw/zinc/74/50/44/386745044.db2.gz JTOATXJJDAJEPR-UHFFFAOYSA-N 1 1 224.235 2.328 20 5 BEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065533919 388677376 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ZINC000051383335 350663828 /nfs/dbraw/zinc/66/38/28/350663828.db2.gz BJSYYYVQQPWWAI-UHFFFAOYSA-N 1 1 238.287 2.063 20 5 BEBDMO C[C@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343454563 350970912 /nfs/dbraw/zinc/97/09/12/350970912.db2.gz IOIIAXKYKKVRJN-QWRGUYRKSA-N 1 1 249.314 2.489 20 5 BEBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cccnc2)cs1 ZINC000037562620 358473743 /nfs/dbraw/zinc/47/37/43/358473743.db2.gz FOBRLULHLDOKHT-UHFFFAOYSA-N 1 1 249.295 2.341 20 5 BEBDMO CCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000063755630 356425053 /nfs/dbraw/zinc/42/50/53/356425053.db2.gz DYWYVIFIYSMWMB-UHFFFAOYSA-N 1 1 238.287 2.315 20 5 BEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC=CCC1 ZINC000619531716 358706667 /nfs/dbraw/zinc/70/66/67/358706667.db2.gz LHDADHLFRXLFOB-UHFFFAOYSA-N 1 1 248.282 2.365 20 5 BEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC=CCC1 ZINC000619531716 358706674 /nfs/dbraw/zinc/70/66/74/358706674.db2.gz LHDADHLFRXLFOB-UHFFFAOYSA-N 1 1 248.282 2.365 20 5 BEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](F)C2)cc1 ZINC000451190951 202377138 /nfs/dbraw/zinc/37/71/38/202377138.db2.gz QUJDLIWEBWXJLD-LLVKDONJSA-N 1 1 238.262 2.181 20 5 BEBDMO C[C@@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795058 360089249 /nfs/dbraw/zinc/08/92/49/360089249.db2.gz GWHFYDWMNAZFDJ-GHMZBOCLSA-N 1 1 249.314 2.489 20 5 BEBDMO C/C=C\C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602725661 371834964 /nfs/dbraw/zinc/83/49/64/371834964.db2.gz SKMCDEUIRLLIHL-IHWYPQMZSA-N 1 1 247.254 2.402 20 5 BEBDMO Cc1[nH+]cn(Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000158614806 384052601 /nfs/dbraw/zinc/05/26/01/384052601.db2.gz AJITWNAMNKEKFA-UHFFFAOYSA-N 1 1 231.255 2.456 20 5 BEBDMO CO[C@H](C)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000285648141 384185149 /nfs/dbraw/zinc/18/51/49/384185149.db2.gz LOSCGNLLGVNMCX-MRVPVSSYSA-N 1 1 244.316 2.123 20 5 BEBDMO CO[C@H](C)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000285648141 384185157 /nfs/dbraw/zinc/18/51/57/384185157.db2.gz LOSCGNLLGVNMCX-MRVPVSSYSA-N 1 1 244.316 2.123 20 5 BEBDMO O=[N+]([O-])c1ccc(C[NH+]2CC3(CC3)C2)cc1 ZINC000514652612 384465245 /nfs/dbraw/zinc/46/52/45/384465245.db2.gz GJPNJWTVISZDCS-UHFFFAOYSA-N 1 1 218.256 2.191 20 5 BEBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000049937514 384577443 /nfs/dbraw/zinc/57/74/43/384577443.db2.gz UXQAOKUWAILJTQ-UHFFFAOYSA-N 1 1 241.266 2.098 20 5 BEBDMO CC(C)[N@@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000301989498 384950284 /nfs/dbraw/zinc/95/02/84/384950284.db2.gz MDWVQPAGUOANGH-UHFFFAOYSA-N 1 1 243.332 2.408 20 5 BEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CC1)CCO2 ZINC000352621990 388361526 /nfs/dbraw/zinc/36/15/26/388361526.db2.gz VZNCIPJQGZKWMU-UHFFFAOYSA-N 1 1 248.282 2.199 20 5 BEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CC1)CCO2 ZINC000352621990 388361528 /nfs/dbraw/zinc/36/15/28/388361528.db2.gz VZNCIPJQGZKWMU-UHFFFAOYSA-N 1 1 248.282 2.199 20 5 BEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCF ZINC000595055369 388376012 /nfs/dbraw/zinc/37/60/12/388376012.db2.gz XLYZPFONPVVHBN-MRVPVSSYSA-N 1 1 242.250 2.224 20 5 BEBDMO C[N@@H+]1CC=C(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000271864596 388409758 /nfs/dbraw/zinc/40/97/58/388409758.db2.gz QTZCPXUCRCWAPR-UHFFFAOYSA-N 1 1 247.298 2.269 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cncs1 ZINC000054788429 388572040 /nfs/dbraw/zinc/57/20/40/388572040.db2.gz MNVIRRXCHIZHFW-UHFFFAOYSA-N 1 1 249.295 2.341 20 5 BEBDMO CC(C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153144603 388942898 /nfs/dbraw/zinc/94/28/98/388942898.db2.gz CXCXFYRZIRJOJK-UHFFFAOYSA-N 1 1 220.272 2.361 20 5 BEBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCC1CC1)CC2 ZINC000347785321 136009856 /nfs/dbraw/zinc/00/98/56/136009856.db2.gz CLVAAGOWWWMGBS-UHFFFAOYSA-N 1 1 247.298 2.148 20 5 BEBDMO C[C@H](CF)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000288565048 176648321 /nfs/dbraw/zinc/64/83/21/176648321.db2.gz ZDXQXANBTXWQKX-MRVPVSSYSA-N 1 1 212.224 2.042 20 5 BEBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000791051382 583383928 /nfs/dbraw/zinc/38/39/28/583383928.db2.gz CGCCPGJWCKCFSU-GFCCVEGCSA-N 1 1 238.262 2.239 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000791051382 583383929 /nfs/dbraw/zinc/38/39/29/583383929.db2.gz CGCCPGJWCKCFSU-GFCCVEGCSA-N 1 1 238.262 2.239 20 5 BEBDMO Cc1ncoc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000894384946 583443319 /nfs/dbraw/zinc/44/33/19/583443319.db2.gz IWFDVGVKHFHBBF-UHFFFAOYSA-N 1 1 247.254 2.181 20 5 BEBDMO Cc1cc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])s1 ZINC000895769096 583724136 /nfs/dbraw/zinc/72/41/36/583724136.db2.gz OAOMGKWJDWXNEO-QMMMGPOBSA-N 1 1 241.316 2.081 20 5 BEBDMO Cc1cc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])s1 ZINC000895769096 583724138 /nfs/dbraw/zinc/72/41/38/583724138.db2.gz OAOMGKWJDWXNEO-QMMMGPOBSA-N 1 1 241.316 2.081 20 5 BEBDMO O=[N+]([O-])c1cc(C[NH2+]C/C=C/Cl)cs1 ZINC000898435587 584136159 /nfs/dbraw/zinc/13/61/59/584136159.db2.gz JOMSPTBOMBSVPC-OWOJBTEDSA-N 1 1 232.692 2.498 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761100158 584910081 /nfs/dbraw/zinc/91/00/81/584910081.db2.gz YCKARXPVZKTQLE-JOYOIKCWSA-N 1 1 218.256 2.189 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761100162 584910136 /nfs/dbraw/zinc/91/01/36/584910136.db2.gz YCKARXPVZKTQLE-SKDRFNHKSA-N 1 1 218.256 2.189 20 5 BEBDMO C[C@H]1CCC[N@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000742427323 585126107 /nfs/dbraw/zinc/12/61/07/585126107.db2.gz HPYLCRZEDICJFZ-NSHDSACASA-N 1 1 249.314 2.491 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761093626 585408455 /nfs/dbraw/zinc/40/84/55/585408455.db2.gz OKAYMNBJIVQEBR-CMPLNLGQSA-N 1 1 218.256 2.189 20 5 BEBDMO COc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000761100109 585409041 /nfs/dbraw/zinc/40/90/41/585409041.db2.gz YHQCMWBPIDXZOJ-MNOVXSKESA-N 1 1 248.282 2.198 20 5 BEBDMO C[N@@H+](CCCF)Cc1ccc([N+](=O)[O-])cc1 ZINC000766863740 585508778 /nfs/dbraw/zinc/50/87/78/585508778.db2.gz FELHEIFXTTXHNU-UHFFFAOYSA-N 1 1 226.251 2.386 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000791051361 585972638 /nfs/dbraw/zinc/97/26/38/585972638.db2.gz BKTDKQHCZMILMX-LBPRGKRZSA-N 1 1 224.304 2.085 20 5 BEBDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000791054151 585973186 /nfs/dbraw/zinc/97/31/86/585973186.db2.gz XZPMCYOGZQNPIN-OLZOCXBDSA-N 1 1 248.326 2.450 20 5 BEBDMO O=[N+]([O-])CC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000791054443 585973220 /nfs/dbraw/zinc/97/32/20/585973220.db2.gz VBHDWDUFCIUCJA-UHFFFAOYSA-N 1 1 238.262 2.067 20 5 BEBDMO O=[N+]([O-])CC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000791054443 585973221 /nfs/dbraw/zinc/97/32/21/585973221.db2.gz VBHDWDUFCIUCJA-UHFFFAOYSA-N 1 1 238.262 2.067 20 5 BEBDMO CC[C@H]([NH2+]CC[N+](=O)[O-])c1cc(F)ccc1F ZINC000791053863 585973242 /nfs/dbraw/zinc/97/32/42/585973242.db2.gz IKOIUCNMDNYAHH-NSHDSACASA-N 1 1 244.241 2.282 20 5 BEBDMO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1F ZINC000791055296 585973286 /nfs/dbraw/zinc/97/32/86/585973286.db2.gz RLDJKGNEPXWWLO-LLVKDONJSA-N 1 1 244.241 2.282 20 5 BEBDMO C[N@H+](CCF)CCc1ccccc1[N+](=O)[O-] ZINC000796113862 586097663 /nfs/dbraw/zinc/09/76/63/586097663.db2.gz INMJTCYJSOJOHC-UHFFFAOYSA-N 1 1 226.251 2.039 20 5 BEBDMO C[N@@H+](CCF)CCc1ccccc1[N+](=O)[O-] ZINC000796113862 586097664 /nfs/dbraw/zinc/09/76/64/586097664.db2.gz INMJTCYJSOJOHC-UHFFFAOYSA-N 1 1 226.251 2.039 20 5 BEBDMO O=[N+]([O-])c1ccc(CC[NH2+]C(CF)CF)cc1 ZINC000877555954 590356681 /nfs/dbraw/zinc/35/66/81/590356681.db2.gz HSCKKYNCMSAEJK-UHFFFAOYSA-N 1 1 244.241 2.035 20 5 BEBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885985401 592122349 /nfs/dbraw/zinc/12/23/49/592122349.db2.gz HCMYKTAAAPNCPW-UHFFFAOYSA-N 1 1 235.287 2.364 20 5 BEBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000886014878 592131056 /nfs/dbraw/zinc/13/10/56/592131056.db2.gz QZXAOFNQLOVOKW-UHFFFAOYSA-N 1 1 235.287 2.364 20 5 BEBDMO CC1(C)[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000886021495 592133828 /nfs/dbraw/zinc/13/38/28/592133828.db2.gz XOHOLXHPPXWKTM-PHIMTYICSA-N 1 1 247.298 2.078 20 5 BEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346693 592213600 /nfs/dbraw/zinc/21/36/00/592213600.db2.gz OMOJEQSEOVZTLJ-PHIMTYICSA-N 1 1 248.282 2.055 20 5 BEBDMO O=[N+]([O-])c1ccc(C[NH2+]CCF)c(Cl)c1 ZINC000308806454 631667980 /nfs/dbraw/zinc/66/79/80/631667980.db2.gz OQQSHPQYYBUFCS-UHFFFAOYSA-N 1 1 232.642 2.307 20 5 BEBDMO C[N@@H+](CC[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000930741910 634080425 /nfs/dbraw/zinc/08/04/25/634080425.db2.gz BTJCXFSTZWSOSG-QWRGUYRKSA-N 1 1 228.336 2.410 20 5 BEBDMO CC(C)c1cccc2c1CC[N@H+](CC[N+](=O)[O-])C2 ZINC000930256747 639667962 /nfs/dbraw/zinc/66/79/62/639667962.db2.gz YUACYFKNDMOUHX-UHFFFAOYSA-N 1 1 248.326 2.445 20 5 BEBDMO CC(C)c1cccc2c1CC[N@@H+](CC[N+](=O)[O-])C2 ZINC000930256747 639667968 /nfs/dbraw/zinc/66/79/68/639667968.db2.gz YUACYFKNDMOUHX-UHFFFAOYSA-N 1 1 248.326 2.445 20 5 BEBDMO Cc1cccc2c1CC(C)(C)[N@@H+](CC[N+](=O)[O-])C2 ZINC000930607298 639818529 /nfs/dbraw/zinc/81/85/29/639818529.db2.gz GEZYZYYUEPLQDK-UHFFFAOYSA-N 1 1 248.326 2.408 20 5 BEBDMO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000228508895 644163121 /nfs/dbraw/zinc/16/31/21/644163121.db2.gz WKQSPXTYXCNEGI-QMMMGPOBSA-N 1 1 244.241 2.381 20 5 BEBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000929129640 645961716 /nfs/dbraw/zinc/96/17/16/645961716.db2.gz LUUHEJQMGBKFBB-CYBMUJFWSA-N 1 1 234.299 2.273 20 5 BEBDMO CC(C)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000929651014 646221426 /nfs/dbraw/zinc/22/14/26/646221426.db2.gz BKGISYIYXUAPHU-LLVKDONJSA-N 1 1 214.309 2.021 20 5 BEBDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000929768383 646295946 /nfs/dbraw/zinc/29/59/46/646295946.db2.gz JEIIBVPDJPVCBI-GXTWGEPZSA-N 1 1 248.326 2.216 20 5 BEBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000929811634 646332714 /nfs/dbraw/zinc/33/27/14/646332714.db2.gz BZCJMWFANPCFAN-DGCLKSJQSA-N 1 1 234.299 2.141 20 5 BEBDMO CC(C)C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929836599 646352919 /nfs/dbraw/zinc/35/29/19/646352919.db2.gz VIHZEXKUFIEWNT-NSHDSACASA-N 1 1 214.309 2.021 20 5 BEBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929855284 646361154 /nfs/dbraw/zinc/36/11/54/646361154.db2.gz QDEUUMFKSPDVOW-GHMZBOCLSA-N 1 1 214.309 2.164 20 5 BEBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CC[N+](=O)[O-] ZINC000930005545 646392335 /nfs/dbraw/zinc/39/23/35/646392335.db2.gz MKPCZQJYHSSDMA-QWRGUYRKSA-N 1 1 214.309 2.164 20 5 BEBDMO CC(C)C[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930029314 646400537 /nfs/dbraw/zinc/40/05/37/646400537.db2.gz OBGLWODBWUZSPB-NSHDSACASA-N 1 1 214.309 2.164 20 5 BEBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000754079495 712406184 /nfs/dbraw/zinc/40/61/84/712406184.db2.gz JDSDMGDCEMFGTJ-LLVKDONJSA-N 1 1 249.314 2.125 20 5 BEBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712595128 712436374 /nfs/dbraw/zinc/43/63/74/712436374.db2.gz PCXOBUIPAKDCQU-LBPRGKRZSA-N 1 1 235.287 2.101 20 5 BEBDMO Cc1cccc(NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000712603158 712436698 /nfs/dbraw/zinc/43/66/98/712436698.db2.gz FHMGFSVAEBUSTL-SNVBAGLBSA-N 1 1 235.287 2.019 20 5 BEBDMO Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000719622231 712817349 /nfs/dbraw/zinc/81/73/49/712817349.db2.gz FPSUPCIAAHCQNW-MNOVXSKESA-N 1 1 249.314 2.408 20 5 BEBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000719622504 712817445 /nfs/dbraw/zinc/81/74/45/712817445.db2.gz FTJQZEHSAYWDRS-QWRGUYRKSA-N 1 1 249.314 2.408 20 5 BEBDMO CC[N@@H+](C(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009689 969335899 /nfs/dbraw/zinc/33/58/99/969335899.db2.gz XGRYNJGKBDVLLS-WDEREUQCSA-N 1 1 214.309 2.162 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC3CCC2CC3)C1 ZINC001169037493 969357829 /nfs/dbraw/zinc/35/78/29/969357829.db2.gz RZKBMMRCBHDYAH-MVKMKZAISA-N 1 1 238.331 2.306 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC3CCC2CC3)C1 ZINC001169037490 969358862 /nfs/dbraw/zinc/35/88/62/969358862.db2.gz RZKBMMRCBHDYAH-KPFVRQRISA-N 1 1 238.331 2.306 20 5 BEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001254552073 969735232 /nfs/dbraw/zinc/73/52/32/969735232.db2.gz IZBMZCAANDBHNW-WCFLWFBJSA-N 1 1 246.310 2.478 20 5 BEBDMO C[N@@H+](CC1CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600825 969745266 /nfs/dbraw/zinc/74/52/66/969745266.db2.gz VLYNDRLHOBDAKT-CQSZACIVSA-N 1 1 246.310 2.404 20 5 BEBDMO C[N@H+]1CC[C@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229119928 976758922 /nfs/dbraw/zinc/75/89/22/976758922.db2.gz TUUCQAAGLQJAMX-PPGNKHEKSA-N 1 1 248.282 2.017 20 5 BEBDMO C[C@H]([NH2+]CC1=NOCC1)c1ccccc1[N+](=O)[O-] ZINC001620554459 1170680596 /nfs/dbraw/zinc/68/05/96/1170680596.db2.gz LXKJRFMSAHBRCV-VIFPVBQESA-N 1 1 249.270 2.022 20 5 BEBDMO Cc1cc(NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000221254637 178170303 /nfs/dbraw/zinc/17/03/03/178170303.db2.gz NEHSJNRQNTUSPN-GFCCVEGCSA-N 1 1 249.314 2.409 20 5 BEBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000600184362 342697720 /nfs/dbraw/zinc/69/77/20/342697720.db2.gz HIMZNENGPHHEHZ-PHIMTYICSA-N 1 1 218.256 2.047 20 5 BEBDMO CC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000335675891 136318842 /nfs/dbraw/zinc/31/88/42/136318842.db2.gz WRMIZVLTVRRXDT-UHFFFAOYSA-N 1 1 206.245 2.047 20 5 BEBDMO COCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000066378553 343868242 /nfs/dbraw/zinc/86/82/42/343868242.db2.gz AFZYHLAJDRWWCF-UHFFFAOYSA-N 1 1 244.316 2.125 20 5 BEBDMO COCCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000066378553 343868245 /nfs/dbraw/zinc/86/82/45/343868245.db2.gz AFZYHLAJDRWWCF-UHFFFAOYSA-N 1 1 244.316 2.125 20 5 BEBDMO CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000091484514 345594987 /nfs/dbraw/zinc/59/49/87/345594987.db2.gz SEHYWMHJMBEUOP-CYBMUJFWSA-N 1 1 249.314 2.125 20 5 BEBDMO Cc1cccc(NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000218842105 179145215 /nfs/dbraw/zinc/14/52/15/179145215.db2.gz MQYUDUKPGVVVID-UHFFFAOYSA-N 1 1 249.314 2.409 20 5 BEBDMO CC[N@@H+](C)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000218843942 134265039 /nfs/dbraw/zinc/26/50/39/134265039.db2.gz YYCNTJMCHWSGTL-UHFFFAOYSA-N 1 1 237.303 2.267 20 5 BEBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000090795296 363880245 /nfs/dbraw/zinc/88/02/45/363880245.db2.gz YAKKAWOLXJYMNE-PWSUYJOCSA-N 1 1 249.314 2.489 20 5 BEBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccn1 ZINC000020053992 371223704 /nfs/dbraw/zinc/22/37/04/371223704.db2.gz PLUNCIZNRZEVRL-UHFFFAOYSA-N 1 1 243.266 2.280 20 5 BEBDMO CC(C)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332674675 371361703 /nfs/dbraw/zinc/36/17/03/371361703.db2.gz JWWHWAJVBNPSGG-UHFFFAOYSA-N 1 1 235.287 2.004 20 5 BEBDMO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000338791377 383830678 /nfs/dbraw/zinc/83/06/78/383830678.db2.gz FCXVCXBJGVKMNU-PHIMTYICSA-N 1 1 249.314 2.124 20 5 BEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC1 ZINC000078528051 384249261 /nfs/dbraw/zinc/24/92/61/384249261.db2.gz QISWUZQCVIZHRX-UHFFFAOYSA-N 1 1 236.271 2.198 20 5 BEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC1 ZINC000078528051 384249265 /nfs/dbraw/zinc/24/92/65/384249265.db2.gz QISWUZQCVIZHRX-UHFFFAOYSA-N 1 1 236.271 2.198 20 5 BEBDMO CC[N@@H+](CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000227550117 385157427 /nfs/dbraw/zinc/15/74/27/385157427.db2.gz BGDJICJPLWSHEA-UHFFFAOYSA-N 1 1 249.314 2.491 20 5 BEBDMO C[C@@H]([NH2+]Cc1ccno1)c1cccc([N+](=O)[O-])c1 ZINC000223668228 387063099 /nfs/dbraw/zinc/06/30/99/387063099.db2.gz CLDGVDWDYDENOV-SECBINFHSA-N 1 1 247.254 2.434 20 5 BEBDMO CO[C@H](C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000272820854 388741241 /nfs/dbraw/zinc/74/12/41/388741241.db2.gz PCAXCRJBIOWGDM-SNVBAGLBSA-N 1 1 238.287 2.062 20 5 BEBDMO CC(C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605923 388732586 /nfs/dbraw/zinc/73/25/86/388732586.db2.gz OWYCULFQZJTLSU-UHFFFAOYSA-N 1 1 220.272 2.361 20 5 BEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCF ZINC000280585892 388782868 /nfs/dbraw/zinc/78/28/68/388782868.db2.gz ASFMZRLDKWTXHM-UHFFFAOYSA-N 1 1 242.250 2.053 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](F)C1 ZINC000335405426 388828979 /nfs/dbraw/zinc/82/89/79/388828979.db2.gz AAQCKDDHMKMBKQ-NSHDSACASA-N 1 1 238.262 2.447 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](F)C1 ZINC000335405426 388828983 /nfs/dbraw/zinc/82/89/83/388828983.db2.gz AAQCKDDHMKMBKQ-NSHDSACASA-N 1 1 238.262 2.447 20 5 BEBDMO C[C@@H]([NH2+]CC1=NOCC1)c1ccccc1[N+](=O)[O-] ZINC001648228940 1172810806 /nfs/dbraw/zinc/81/08/06/1172810806.db2.gz LXKJRFMSAHBRCV-SECBINFHSA-N 1 1 249.270 2.022 20 5 BEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000228763602 411186601 /nfs/dbraw/zinc/18/66/01/411186601.db2.gz QWIQGJLKHPKWTD-NSHDSACASA-N 1 1 249.314 2.409 20 5 BEBDMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263726484 177160307 /nfs/dbraw/zinc/16/03/07/177160307.db2.gz PJQISJOHBOFTOU-NSHDSACASA-N 1 1 234.299 2.479 20 5 BEBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293525757 177254696 /nfs/dbraw/zinc/25/46/96/177254696.db2.gz WLPWHAUABDDJLV-QWRGUYRKSA-N 1 1 234.299 2.478 20 5 BEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000047914912 323076286 /nfs/dbraw/zinc/07/62/86/323076286.db2.gz AONOEMSFEPRFJD-UHFFFAOYSA-N 1 1 236.271 2.068 20 5 BEBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286315850 535748055 /nfs/dbraw/zinc/74/80/55/535748055.db2.gz KLZUZHFWJDWXBQ-LLVKDONJSA-N 1 1 249.314 2.125 20 5 BEBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000899856925 584243951 /nfs/dbraw/zinc/24/39/51/584243951.db2.gz YSWISYXKEOEUAJ-UHFFFAOYSA-N 1 1 249.097 2.360 20 5 BEBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018919 585035563 /nfs/dbraw/zinc/03/55/63/585035563.db2.gz JRABPUYCQTYODG-UWVGGRQHSA-N 1 1 235.287 2.220 20 5 BEBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018921 585035741 /nfs/dbraw/zinc/03/57/41/585035741.db2.gz JRABPUYCQTYODG-ZJUUUORDSA-N 1 1 235.287 2.220 20 5 BEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886334325 585129536 /nfs/dbraw/zinc/12/95/36/585129536.db2.gz VLALCOBEBRRCAE-DTORHVGOSA-N 1 1 236.246 2.186 20 5 BEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886334325 585129537 /nfs/dbraw/zinc/12/95/37/585129537.db2.gz VLALCOBEBRRCAE-DTORHVGOSA-N 1 1 236.246 2.186 20 5 BEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2C[C@H]21 ZINC000761090832 585408057 /nfs/dbraw/zinc/40/80/57/585408057.db2.gz IBUBCGKRPGZNFK-CMPLNLGQSA-N 1 1 248.282 2.068 20 5 BEBDMO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000774536803 585661033 /nfs/dbraw/zinc/66/10/33/585661033.db2.gz MPLOWHRSQOOCON-MNOVXSKESA-N 1 1 249.314 2.124 20 5 BEBDMO Cc1ccccc1[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791051939 585972893 /nfs/dbraw/zinc/97/28/93/585972893.db2.gz INUVYXYSSAJHLM-CYBMUJFWSA-N 1 1 234.299 2.409 20 5 BEBDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000848515296 588389151 /nfs/dbraw/zinc/38/91/51/588389151.db2.gz XAJXUXVJPZJQJY-KCJUWKMLSA-N 1 1 249.270 2.249 20 5 BEBDMO CC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000125342967 590162186 /nfs/dbraw/zinc/16/21/86/590162186.db2.gz JXFWSERETMBXBR-JTQLQIEISA-N 1 1 240.307 2.115 20 5 BEBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886032566 592136587 /nfs/dbraw/zinc/13/65/87/592136587.db2.gz JCYHEDXBJNHKMR-NXEZZACHSA-N 1 1 235.287 2.220 20 5 BEBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886249098 592184944 /nfs/dbraw/zinc/18/49/44/592184944.db2.gz CPNULRMKQKUDFC-MXWKQRLJSA-N 1 1 249.314 2.466 20 5 BEBDMO Cc1[nH+]ccn1CCNc1ccccc1[N+](=O)[O-] ZINC000310634660 632809420 /nfs/dbraw/zinc/80/94/20/632809420.db2.gz PMPHXVVKDLYLHP-UHFFFAOYSA-N 1 1 246.270 2.212 20 5 BEBDMO O=[N+]([O-])CC[NH2+]Cc1cc(C2CC2)ccc1F ZINC000905272500 637732335 /nfs/dbraw/zinc/73/23/35/637732335.db2.gz GYSPIQRBWHLYGT-UHFFFAOYSA-N 1 1 238.262 2.069 20 5 BEBDMO CC(C)(C)C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930670557 639855848 /nfs/dbraw/zinc/85/58/48/639855848.db2.gz LGVLBJASECWVKR-SNVBAGLBSA-N 1 1 214.309 2.021 20 5 BEBDMO CC(C)(C)C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930670556 639856431 /nfs/dbraw/zinc/85/64/31/639856431.db2.gz LGVLBJASECWVKR-JTQLQIEISA-N 1 1 214.309 2.021 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCCC2(CCCC2)CC1 ZINC000930931526 639991735 /nfs/dbraw/zinc/99/17/35/639991735.db2.gz XYTTWZGDPHTUNX-UHFFFAOYSA-N 1 1 226.320 2.309 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000931506686 640238451 /nfs/dbraw/zinc/23/84/51/640238451.db2.gz AFOYOXQJZMUSRK-LBPRGKRZSA-N 1 1 226.320 2.165 20 5 BEBDMO C[C@@H]([NH2+]Cc1ccno1)c1ccc([N+](=O)[O-])cc1 ZINC000231883427 641211834 /nfs/dbraw/zinc/21/18/34/641211834.db2.gz KANRJQOEALDDRT-SECBINFHSA-N 1 1 247.254 2.434 20 5 BEBDMO CCCCC[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929852382 641776631 /nfs/dbraw/zinc/77/66/31/641776631.db2.gz CUHGCICAOZOLLX-NSHDSACASA-N 1 1 214.309 2.308 20 5 BEBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000814938860 644946813 /nfs/dbraw/zinc/94/68/13/644946813.db2.gz WYKXOKVVPSJFAZ-LLVKDONJSA-N 1 1 249.314 2.125 20 5 BEBDMO Cc1ccc([C@@H]2CCC[N@H+]2CC[N+](=O)[O-])cc1 ZINC000929089404 645935230 /nfs/dbraw/zinc/93/52/30/645935230.db2.gz UKQZVJQUSMJNPS-ZDUSSCGKSA-N 1 1 234.299 2.409 20 5 BEBDMO Cc1ccc(C2=CC[N@H+](CC[N+](=O)[O-])CC2)cc1 ZINC000929148152 645973569 /nfs/dbraw/zinc/97/35/69/645973569.db2.gz UOZPJNFQYYJHTQ-UHFFFAOYSA-N 1 1 246.310 2.361 20 5 BEBDMO Cc1ccc(C2=CC[N@@H+](CC[N+](=O)[O-])CC2)cc1 ZINC000929148152 645973578 /nfs/dbraw/zinc/97/35/78/645973578.db2.gz UOZPJNFQYYJHTQ-UHFFFAOYSA-N 1 1 246.310 2.361 20 5 BEBDMO C[N@@H+](CCc1ccc(Cl)cc1)CC[N+](=O)[O-] ZINC000929642182 646214866 /nfs/dbraw/zinc/21/48/66/646214866.db2.gz CRYGDEYLLFFWCT-UHFFFAOYSA-N 1 1 242.706 2.091 20 5 BEBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC[N+](=O)[O-] ZINC000929653456 646223463 /nfs/dbraw/zinc/22/34/63/646223463.db2.gz BXSZJBYLAMOBFE-AAEUAGOBSA-N 1 1 234.299 2.141 20 5 BEBDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000929768384 646296471 /nfs/dbraw/zinc/29/64/71/646296471.db2.gz JEIIBVPDJPVCBI-JSGCOSHPSA-N 1 1 248.326 2.216 20 5 BEBDMO CC(C)C[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007079 969328697 /nfs/dbraw/zinc/32/86/97/969328697.db2.gz KRGRLLDGXYLPSL-QWRGUYRKSA-N 1 1 214.309 2.020 20 5 BEBDMO C[N@@H+](C1CC(F)(F)C1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009651 969334605 /nfs/dbraw/zinc/33/46/05/969334605.db2.gz WVHVEVVYIBVRJI-RKDXNWHRSA-N 1 1 248.273 2.161 20 5 BEBDMO C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008244 969335926 /nfs/dbraw/zinc/33/59/26/969335926.db2.gz SKSXWUGSEIJGHA-IJLUTSLNSA-N 1 1 226.320 2.306 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001169011938 969336550 /nfs/dbraw/zinc/33/65/50/969336550.db2.gz NUHZLCKZWHHVKS-WUHRBBMRSA-N 1 1 238.331 2.164 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC23CCCC3)C1 ZINC001169011020 969340151 /nfs/dbraw/zinc/34/01/51/969340151.db2.gz HJNXTSLUABWUON-NWDGAFQWSA-N 1 1 238.331 2.450 20 5 BEBDMO C[N@@H+](CCC1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039140 969355385 /nfs/dbraw/zinc/35/53/85/969355385.db2.gz NNSNFXFEHXGRAJ-NWDGAFQWSA-N 1 1 226.320 2.164 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCCC23CC3)C1 ZINC001169038646 969356062 /nfs/dbraw/zinc/35/60/62/969356062.db2.gz JUQLEKKLSXSEJV-NWDGAFQWSA-N 1 1 238.331 2.450 20 5 BEBDMO C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036628 969357272 /nfs/dbraw/zinc/35/72/72/969357272.db2.gz HCXXGSGHUQCYDC-SDDRHHMPSA-N 1 1 240.347 2.410 20 5 BEBDMO C[N@@H+](CCC1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039142 969358581 /nfs/dbraw/zinc/35/85/81/969358581.db2.gz NNSNFXFEHXGRAJ-VXGBXAGGSA-N 1 1 226.320 2.164 20 5 BEBDMO C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169026386 969365284 /nfs/dbraw/zinc/36/52/84/969365284.db2.gz LMXYZVQWBYHOCR-ZJUUUORDSA-N 1 1 214.309 2.162 20 5 BEBDMO C[N@@H+](C1CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596336 969744872 /nfs/dbraw/zinc/74/48/72/969744872.db2.gz COPQORWLKJCNJL-ZDUSSCGKSA-N 1 1 232.283 2.156 20 5 BEBDMO CC(C)[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595978 969746506 /nfs/dbraw/zinc/74/65/06/969746506.db2.gz APOQSMOEXXSNTJ-CYBMUJFWSA-N 1 1 234.299 2.402 20 5 BEBDMO Cc1ccc(Nc2c[nH+]ncc2N)cc1[N+](=O)[O-] ZINC001213663456 970376083 /nfs/dbraw/zinc/37/60/83/970376083.db2.gz HNDRWHXYDQRPFG-UHFFFAOYSA-N 1 1 245.242 2.019 20 5 BEBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC001333485434 975810841 /nfs/dbraw/zinc/81/08/41/975810841.db2.gz FDYKUYVLWJRSFQ-LBPRGKRZSA-N 1 1 236.315 2.135 20 5 BEBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001354473290 1170010369 /nfs/dbraw/zinc/01/03/69/1170010369.db2.gz WXSMMTAEWYVSRH-ZETCQYMHSA-N 1 1 246.669 2.406 20 5 BEBDMO CC(C)[N@@H+](CCc1ccccc1)CC[N+](=O)[O-] ZINC001351103549 982206785 /nfs/dbraw/zinc/20/67/85/982206785.db2.gz SHONPBLVCXOFAJ-UHFFFAOYSA-N 1 1 236.315 2.216 20 5 BEBDMO Cc1cc(C)cc(C[N@H+](C)CC[N+](=O)[O-])c1 ZINC001351398878 982311077 /nfs/dbraw/zinc/31/10/77/982311077.db2.gz KQSRTMPOKZJMFH-UHFFFAOYSA-N 1 1 222.288 2.012 20 5 BEBDMO Cc1cc(C)cc(C[N@@H+](C)CC[N+](=O)[O-])c1 ZINC001351398878 982311088 /nfs/dbraw/zinc/31/10/88/982311088.db2.gz KQSRTMPOKZJMFH-UHFFFAOYSA-N 1 1 222.288 2.012 20 5 BEBDMO Cc1c[nH]c(Nc2cc(C)c([N+](=O)[O-])cn2)[nH+]1 ZINC001319291513 991834801 /nfs/dbraw/zinc/83/48/01/991834801.db2.gz VEOCQAYRBPAGPY-UHFFFAOYSA-N 1 1 233.231 2.073 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001262252543 992819912 /nfs/dbraw/zinc/81/99/12/992819912.db2.gz UVUITLVCGJEMPC-VFNNOXKTSA-N 1 1 246.310 2.441 20 5 BEBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000293397870 398195867 /nfs/dbraw/zinc/19/58/67/398195867.db2.gz LISQJWJHUZINLW-ZJUUUORDSA-N 1 1 220.272 2.435 20 5 BEBDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000600187409 342697730 /nfs/dbraw/zinc/69/77/30/342697730.db2.gz YARJLWQTICSTNK-TXEJJXNPSA-N 1 1 232.283 2.355 20 5 BEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000351499541 136368939 /nfs/dbraw/zinc/36/89/39/136368939.db2.gz CQRLTYAGGNJIQV-GHMZBOCLSA-N 1 1 249.314 2.124 20 5 BEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581051 343972000 /nfs/dbraw/zinc/97/20/00/343972000.db2.gz DAGWHARDMZYSLH-UHFFFAOYSA-N 1 1 247.254 2.330 20 5 BEBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCCC1 ZINC000595290484 348213360 /nfs/dbraw/zinc/21/33/60/348213360.db2.gz CRAJGKMXBSDHSV-UHFFFAOYSA-N 1 1 224.235 2.330 20 5 BEBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595290840 348214105 /nfs/dbraw/zinc/21/41/05/348214105.db2.gz DVFGIPPTHULSBS-QMMMGPOBSA-N 1 1 239.275 2.266 20 5 BEBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595290840 348214106 /nfs/dbraw/zinc/21/41/06/348214106.db2.gz DVFGIPPTHULSBS-QMMMGPOBSA-N 1 1 239.275 2.266 20 5 BEBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595342372 348233663 /nfs/dbraw/zinc/23/36/63/348233663.db2.gz CARWLUJWZXIHNZ-IONNQARKSA-N 1 1 239.275 2.122 20 5 BEBDMO C[C@@H]1C[C@@H]1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354432 349164708 /nfs/dbraw/zinc/16/47/08/349164708.db2.gz VPVXOSWSMLFGAV-NXEZZACHSA-N 1 1 247.298 2.004 20 5 BEBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000044537602 352654732 /nfs/dbraw/zinc/65/47/32/352654732.db2.gz SZKHJBAYBVHMES-NSHDSACASA-N 1 1 249.314 2.349 20 5 BEBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000420635274 192253001 /nfs/dbraw/zinc/25/30/01/192253001.db2.gz LYPNWAMLYMIFRF-NSHDSACASA-N 1 1 249.314 2.125 20 5 BEBDMO COC[C@@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000193898480 367225167 /nfs/dbraw/zinc/22/51/67/367225167.db2.gz HJLJGJUPRNGRSH-SNVBAGLBSA-N 1 1 238.287 2.062 20 5 BEBDMO Cc1nocc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000339186460 383917064 /nfs/dbraw/zinc/91/70/64/383917064.db2.gz UVLHHYFIIZIWKG-UHFFFAOYSA-N 1 1 247.254 2.181 20 5 BEBDMO CC(C)(CF)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309087706 385412687 /nfs/dbraw/zinc/41/26/87/385412687.db2.gz ZYXSBGRJPSPLHV-UHFFFAOYSA-N 1 1 232.280 2.494 20 5 BEBDMO Cc1ccc(NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000229326236 386166106 /nfs/dbraw/zinc/16/61/06/386166106.db2.gz AQPSHTCMECAIDL-NSHDSACASA-N 1 1 249.314 2.409 20 5 BEBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000091480269 388632706 /nfs/dbraw/zinc/63/27/06/388632706.db2.gz MIANLNMEKCJADG-JTQLQIEISA-N 1 1 249.314 2.489 20 5 BEBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000080984606 388716059 /nfs/dbraw/zinc/71/60/59/388716059.db2.gz JWGSMBJFWYCKGY-UHFFFAOYSA-N 1 1 249.314 2.491 20 5 BEBDMO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000068913583 388718255 /nfs/dbraw/zinc/71/82/55/388718255.db2.gz NTLLRCZOSRGLJP-SNVBAGLBSA-N 1 1 249.314 2.489 20 5 BEBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCF ZINC000280685752 388785576 /nfs/dbraw/zinc/78/55/76/388785576.db2.gz NTWZIIMSQUITMS-UHFFFAOYSA-N 1 1 232.642 2.307 20 5 BEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000282417461 388816509 /nfs/dbraw/zinc/81/65/09/388816509.db2.gz JANZHOYPUWSLLG-UHFFFAOYSA-N 1 1 234.299 2.479 20 5 BEBDMO Cc1cc(N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356831297 132272247 /nfs/dbraw/zinc/27/22/47/132272247.db2.gz VCYGYUVNTOAATG-NSHDSACASA-N 1 1 249.314 2.044 20 5 BEBDMO C[C@H]1CC[N@@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000354086774 177157354 /nfs/dbraw/zinc/15/73/54/177157354.db2.gz TZZMUAGACGOVDO-NSHDSACASA-N 1 1 249.314 2.125 20 5 BEBDMO C[C@@H]1[C@@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000293525759 177254723 /nfs/dbraw/zinc/25/47/23/177254723.db2.gz WLPWHAUABDDJLV-WDEREUQCSA-N 1 1 234.299 2.478 20 5 BEBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293454275 177263432 /nfs/dbraw/zinc/26/34/32/177263432.db2.gz POWWIXPZOOJDRW-UWVGGRQHSA-N 1 1 220.272 2.435 20 5 BEBDMO COc1ccc(C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000047914416 323072028 /nfs/dbraw/zinc/07/20/28/323072028.db2.gz XAZRDVSKMIBPDQ-UHFFFAOYSA-N 1 1 236.271 2.198 20 5 BEBDMO COc1cc(C[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000351972023 536745852 /nfs/dbraw/zinc/74/58/52/536745852.db2.gz ZCEXTTONWBWAJW-UHFFFAOYSA-N 1 1 236.271 2.198 20 5 BEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000761090467 585407895 /nfs/dbraw/zinc/40/78/95/585407895.db2.gz KEDKZQYQURQIMS-PWSUYJOCSA-N 1 1 218.256 2.189 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761093630 585408543 /nfs/dbraw/zinc/40/85/43/585408543.db2.gz OKAYMNBJIVQEBR-PWSUYJOCSA-N 1 1 218.256 2.189 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000787720736 585914559 /nfs/dbraw/zinc/91/45/59/585914559.db2.gz ZWFGAHBZCSPHGM-CQSZACIVSA-N 1 1 248.326 2.360 20 5 BEBDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000791052110 585972686 /nfs/dbraw/zinc/97/26/86/585972686.db2.gz LKVQYAPHGLOCON-LLVKDONJSA-N 1 1 228.336 2.411 20 5 BEBDMO NC(=[NH+]OCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000871763320 589809704 /nfs/dbraw/zinc/80/97/04/589809704.db2.gz DFTGMWCSUUAGRV-UHFFFAOYSA-N 1 1 249.270 2.393 20 5 BEBDMO COCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016156 589855691 /nfs/dbraw/zinc/85/56/91/589855691.db2.gz GDADKNLQQBYMLA-MRVPVSSYSA-N 1 1 242.250 2.031 20 5 BEBDMO CC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000125343205 590162064 /nfs/dbraw/zinc/16/20/64/590162064.db2.gz JXFWSERETMBXBR-SNVBAGLBSA-N 1 1 240.307 2.115 20 5 BEBDMO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000878316246 590542087 /nfs/dbraw/zinc/54/20/87/590542087.db2.gz HNKYKMKGXJNMOC-YPMHNXCESA-N 1 1 232.283 2.497 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000885985717 592122215 /nfs/dbraw/zinc/12/22/15/592122215.db2.gz OTMDEZABSUUFJB-GFCCVEGCSA-N 1 1 247.298 2.364 20 5 BEBDMO C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886098424 592147919 /nfs/dbraw/zinc/14/79/19/592147919.db2.gz MBZULQFLHIAVDM-WDEREUQCSA-N 1 1 249.314 2.468 20 5 BEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886332401 592211250 /nfs/dbraw/zinc/21/12/50/592211250.db2.gz TVALXVAUFXRJOH-DTORHVGOSA-N 1 1 236.246 2.186 20 5 BEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886332401 592211255 /nfs/dbraw/zinc/21/12/55/592211255.db2.gz TVALXVAUFXRJOH-DTORHVGOSA-N 1 1 236.246 2.186 20 5 BEBDMO CC(C)(C)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930295043 639686614 /nfs/dbraw/zinc/68/66/14/639686614.db2.gz CDFYGHGTNLONJO-JTQLQIEISA-N 1 1 214.309 2.021 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000930564800 639811592 /nfs/dbraw/zinc/81/15/92/639811592.db2.gz NUMQOZAYICGBQA-CYBMUJFWSA-N 1 1 234.299 2.143 20 5 BEBDMO CC(C)C[C@]1(C)CCC[N@H+]1CC[N+](=O)[O-] ZINC000930608621 639819450 /nfs/dbraw/zinc/81/94/50/639819450.db2.gz RPWSPUSNJDYOJY-NSHDSACASA-N 1 1 214.309 2.164 20 5 BEBDMO CC(C)([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1F ZINC000931755656 640352062 /nfs/dbraw/zinc/35/20/62/640352062.db2.gz WMFNCNAFSXERLJ-UHFFFAOYSA-N 1 1 244.241 2.066 20 5 BEBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929694723 641400118 /nfs/dbraw/zinc/40/01/18/641400118.db2.gz ZEGOJGYQGLWOHG-QWRGUYRKSA-N 1 1 214.309 2.164 20 5 BEBDMO CCc1[nH+]c(C)cn1Cc1cccnc1[N+](=O)[O-] ZINC000918554628 642223244 /nfs/dbraw/zinc/22/32/44/642223244.db2.gz YUPJFTYHYCATGS-UHFFFAOYSA-N 1 1 246.270 2.105 20 5 BEBDMO Cc1[nH+]ccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070164326 642982321 /nfs/dbraw/zinc/98/23/21/642982321.db2.gz YWAFVTJEVOOPGT-UHFFFAOYSA-N 1 1 235.218 2.287 20 5 BEBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000929260198 646042232 /nfs/dbraw/zinc/04/22/32/646042232.db2.gz VIZKDHIOWGMACQ-GRYCIOLGSA-N 1 1 226.320 2.164 20 5 BEBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000929261729 646045277 /nfs/dbraw/zinc/04/52/77/646045277.db2.gz BIYRKOHBHVSXRT-JTQLQIEISA-N 1 1 226.301 2.162 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000929261729 646045281 /nfs/dbraw/zinc/04/52/81/646045281.db2.gz BIYRKOHBHVSXRT-JTQLQIEISA-N 1 1 226.301 2.162 20 5 BEBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000929334310 646084638 /nfs/dbraw/zinc/08/46/38/646084638.db2.gz VIEAAIMSCDQASP-SNVBAGLBSA-N 1 1 240.278 2.485 20 5 BEBDMO Cc1ccccc1[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929458733 646126023 /nfs/dbraw/zinc/12/60/23/646126023.db2.gz QVZHSEMOBDDTRI-LBPRGKRZSA-N 1 1 234.299 2.061 20 5 BEBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000929768389 646295960 /nfs/dbraw/zinc/29/59/60/646295960.db2.gz JEIIBVPDJPVCBI-TZMCWYRMSA-N 1 1 248.326 2.216 20 5 BEBDMO CC(C)C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929836597 646353106 /nfs/dbraw/zinc/35/31/06/646353106.db2.gz VIHZEXKUFIEWNT-LLVKDONJSA-N 1 1 214.309 2.021 20 5 BEBDMO CC(C)CC[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929852997 646361851 /nfs/dbraw/zinc/36/18/51/646361851.db2.gz FPYPIHHJIVNDOD-NSHDSACASA-N 1 1 214.309 2.164 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC000707002778 712163411 /nfs/dbraw/zinc/16/34/11/712163411.db2.gz RSHNSCRYRNMJRH-PELKAZGASA-N 1 1 236.246 2.328 20 5 BEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC000707002778 712163413 /nfs/dbraw/zinc/16/34/13/712163413.db2.gz RSHNSCRYRNMJRH-PELKAZGASA-N 1 1 236.246 2.328 20 5 BEBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C ZINC000712603132 712436941 /nfs/dbraw/zinc/43/69/41/712436941.db2.gz DUKHJHKNORBBQD-LLVKDONJSA-N 1 1 235.287 2.019 20 5 BEBDMO CC[N@H+]1CC[C@@H]1CNc1cccc(C)c1[N+](=O)[O-] ZINC000712612815 712438168 /nfs/dbraw/zinc/43/81/68/712438168.db2.gz CXBWNQAWXBRXEL-LLVKDONJSA-N 1 1 249.314 2.409 20 5 BEBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000719581247 712812698 /nfs/dbraw/zinc/81/26/98/712812698.db2.gz STWZSSHDSGYURB-JOYOIKCWSA-N 1 1 235.287 2.099 20 5 BEBDMO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000719622503 712817337 /nfs/dbraw/zinc/81/73/37/712817337.db2.gz FTJQZEHSAYWDRS-MNOVXSKESA-N 1 1 249.314 2.408 20 5 BEBDMO Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000719622234 712817465 /nfs/dbraw/zinc/81/74/65/712817465.db2.gz FPSUPCIAAHCQNW-WDEREUQCSA-N 1 1 249.314 2.408 20 5 BEBDMO [NH2+]=CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167868014 961353055 /nfs/dbraw/zinc/35/30/55/961353055.db2.gz DBJFIXDJKWXELV-UHFFFAOYSA-N 1 1 204.189 2.095 20 5 BEBDMO C[N@@H+](C1CC(F)(F)C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009648 969334472 /nfs/dbraw/zinc/33/44/72/969334472.db2.gz WVHVEVVYIBVRJI-BDAKNGLRSA-N 1 1 248.273 2.161 20 5 BEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](F)CC2)C1 ZINC001169014058 969342887 /nfs/dbraw/zinc/34/28/87/969342887.db2.gz YQYJAIHIWDBPFH-GRYCIOLGSA-N 1 1 244.310 2.256 20 5 BEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC3(CCC3)C2)C1 ZINC001169037565 969355730 /nfs/dbraw/zinc/35/57/30/969355730.db2.gz SOFBTTCXSKHVQC-NWDGAFQWSA-N 1 1 238.331 2.308 20 5 BEBDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169046849 969363676 /nfs/dbraw/zinc/36/36/76/969363676.db2.gz NTGXOOAQXJHDBB-QJPTWQEYSA-N 1 1 238.331 2.306 20 5 BEBDMO C[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593131 969744184 /nfs/dbraw/zinc/74/41/84/969744184.db2.gz IXIYYGJOAXSAML-HZMBPMFUSA-N 1 1 246.310 2.404 20 5 BEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(F)F ZINC001173213044 975077021 /nfs/dbraw/zinc/07/70/21/975077021.db2.gz CZVQNWTYEJWJSY-QMMMGPOBSA-N 1 1 244.241 2.381 20 5 BEBDMO O=[N+]([O-])CC[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001336004445 977419453 /nfs/dbraw/zinc/41/94/53/977419453.db2.gz FZAHWXJJASHJJE-UHFFFAOYSA-N 1 1 246.310 2.201 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001336004445 977419462 /nfs/dbraw/zinc/41/94/62/977419462.db2.gz FZAHWXJJASHJJE-UHFFFAOYSA-N 1 1 246.310 2.201 20 5 BEBDMO Cn1cc[nH+]c1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734386 977671163 /nfs/dbraw/zinc/67/11/63/977671163.db2.gz HAZICNPYJKOBQY-UHFFFAOYSA-N 1 1 236.206 2.211 20 5 BEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CC1)C2 ZINC001116289741 987507084 /nfs/dbraw/zinc/50/70/84/987507084.db2.gz VEGKNGUHOUWPGD-UHFFFAOYSA-N 1 1 218.256 2.320 20 5 BEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CC1)C2 ZINC001116289741 987507094 /nfs/dbraw/zinc/50/70/94/987507094.db2.gz VEGKNGUHOUWPGD-UHFFFAOYSA-N 1 1 218.256 2.320 20 5 BEBDMO Cc1noc(COc2cc[nH+]c(C)c2)c1[N+](=O)[O-] ZINC001118596878 988472267 /nfs/dbraw/zinc/47/22/67/988472267.db2.gz SHBQGYVIBXQVKL-UHFFFAOYSA-N 1 1 249.226 2.174 20 5 BEBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)c1 ZINC001119811452 989415686 /nfs/dbraw/zinc/41/56/86/989415686.db2.gz YNDFGQKBGHUHQQ-ZDUSSCGKSA-N 1 1 248.326 2.369 20 5 BEBDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC001262277777 992833130 /nfs/dbraw/zinc/83/31/30/992833130.db2.gz OGJOJTIAJIGJAA-JSGCOSHPSA-N 1 1 248.326 2.450 20 5 BEBDMO CC1(C)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000602751315 349730380 /nfs/dbraw/zinc/73/03/80/349730380.db2.gz GNENLIIVWADQNF-UHFFFAOYSA-N 1 1 220.272 2.437 20 5 BEBDMO CC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602841909 349780308 /nfs/dbraw/zinc/78/03/08/349780308.db2.gz UGEQHHAPYJDFKZ-UHFFFAOYSA-N 1 1 236.271 2.009 20 5 BEBDMO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000351499543 136368913 /nfs/dbraw/zinc/36/89/13/136368913.db2.gz CQRLTYAGGNJIQV-MNOVXSKESA-N 1 1 249.314 2.124 20 5 BEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044417211 345056054 /nfs/dbraw/zinc/05/60/54/345056054.db2.gz XJUODRYPTRWSCP-NSHDSACASA-N 1 1 247.298 2.243 20 5 BEBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044411799 345058840 /nfs/dbraw/zinc/05/88/40/345058840.db2.gz PBLLOKOARCYSPG-SNVBAGLBSA-N 1 1 247.298 2.243 20 5 BEBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@H+](C)C1CC1 ZINC000096482938 179206772 /nfs/dbraw/zinc/20/67/72/179206772.db2.gz AWTXUJPXACKPFO-UHFFFAOYSA-N 1 1 249.314 2.409 20 5 BEBDMO Cc1noc(C[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000595287059 348212452 /nfs/dbraw/zinc/21/24/52/348212452.db2.gz KFUBQNSPNGSITH-UHFFFAOYSA-N 1 1 239.275 2.266 20 5 BEBDMO Cc1noc(C[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000595287059 348212453 /nfs/dbraw/zinc/21/24/53/348212453.db2.gz KFUBQNSPNGSITH-UHFFFAOYSA-N 1 1 239.275 2.266 20 5 BEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595805736 348348420 /nfs/dbraw/zinc/34/84/20/348348420.db2.gz BNKKWSWNVXXCTE-CHWSQXEVSA-N 1 1 246.310 2.479 20 5 BEBDMO C[C@@H]1C[C@H]1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354435 349164844 /nfs/dbraw/zinc/16/48/44/349164844.db2.gz VPVXOSWSMLFGAV-ZJUUUORDSA-N 1 1 247.298 2.004 20 5 BEBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCCC1 ZINC000103464806 323250129 /nfs/dbraw/zinc/25/01/29/323250129.db2.gz AJTOTTYOQLNFPG-UHFFFAOYSA-N 1 1 224.235 2.330 20 5 BEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCCC3)nc2c1 ZINC000007049089 350216080 /nfs/dbraw/zinc/21/60/80/350216080.db2.gz YAHSSHRDWQEGNE-UHFFFAOYSA-N 1 1 246.270 2.067 20 5 BEBDMO C[N@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000044537702 352654394 /nfs/dbraw/zinc/65/43/94/352654394.db2.gz SDAHFXLWKQEYET-NSHDSACASA-N 1 1 249.314 2.349 20 5 BEBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000231043669 358542806 /nfs/dbraw/zinc/54/28/06/358542806.db2.gz SQYXKABVFNKTTQ-VIFPVBQESA-N 1 1 246.270 2.169 20 5 BEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC3CC3)c2c1 ZINC000601101417 371727833 /nfs/dbraw/zinc/72/78/33/371727833.db2.gz MZLQUSNAIMPPQW-UHFFFAOYSA-N 1 1 243.266 2.387 20 5 BEBDMO C[C@@H](CF)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000288565049 383907088 /nfs/dbraw/zinc/90/70/88/383907088.db2.gz ZDXQXANBTXWQKX-QMMMGPOBSA-N 1 1 212.224 2.042 20 5 BEBDMO CC(C)[C@H]1CCCCC[N@H+]1CC[N+](=O)[O-] ZINC001645055066 1172631699 /nfs/dbraw/zinc/63/16/99/1172631699.db2.gz RVFKVRNPSOBBKD-LLVKDONJSA-N 1 1 214.309 2.164 20 5 BEBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000272852585 388433479 /nfs/dbraw/zinc/43/34/79/388433479.db2.gz VVHNUVDJHBCRLQ-JTQLQIEISA-N 1 1 238.287 2.062 20 5 BEBDMO C[C@H]([NH2+]Cc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000054765050 388584652 /nfs/dbraw/zinc/58/46/52/388584652.db2.gz NMWFLACWFOKWGT-VIFPVBQESA-N 1 1 246.270 2.169 20 5 BEBDMO CCOCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046054042 170390299 /nfs/dbraw/zinc/39/02/99/170390299.db2.gz ALPFOIWQRUWLID-UHFFFAOYSA-N 1 1 238.287 2.063 20 5 BEBDMO CCOCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046054042 170390300 /nfs/dbraw/zinc/39/03/00/170390300.db2.gz ALPFOIWQRUWLID-UHFFFAOYSA-N 1 1 238.287 2.063 20 5 BEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761094208 585408627 /nfs/dbraw/zinc/40/86/27/585408627.db2.gz NHWPAUWEMZSHTF-QPUJVOFHSA-N 1 1 236.246 2.328 20 5 BEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761094208 585408628 /nfs/dbraw/zinc/40/86/28/585408628.db2.gz NHWPAUWEMZSHTF-QPUJVOFHSA-N 1 1 236.246 2.328 20 5 BEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000761095423 585408645 /nfs/dbraw/zinc/40/86/45/585408645.db2.gz OYRKNLDTQWBZOS-GXFFZTMASA-N 1 1 248.282 2.068 20 5 BEBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000774534316 585660768 /nfs/dbraw/zinc/66/07/68/585660768.db2.gz MRVCWGGHNWWSHM-LLVKDONJSA-N 1 1 249.314 2.491 20 5 BEBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791051341 585972859 /nfs/dbraw/zinc/97/28/59/585972859.db2.gz BFGVFANRHBGJHU-CYBMUJFWSA-N 1 1 236.315 2.216 20 5 BEBDMO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791054820 585973344 /nfs/dbraw/zinc/97/33/44/585973344.db2.gz YTTFBBSLJNHCQN-UHFFFAOYSA-N 1 1 222.288 2.174 20 5 BEBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000791054148 585973455 /nfs/dbraw/zinc/97/34/55/585973455.db2.gz XZPMCYOGZQNPIN-CHWSQXEVSA-N 1 1 248.326 2.450 20 5 BEBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885943752 592111953 /nfs/dbraw/zinc/11/19/53/592111953.db2.gz BRBINZUIIFUFON-PHIMTYICSA-N 1 1 249.314 2.468 20 5 BEBDMO C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886032567 592136444 /nfs/dbraw/zinc/13/64/44/592136444.db2.gz JCYHEDXBJNHKMR-UWVGGRQHSA-N 1 1 235.287 2.220 20 5 BEBDMO CC(C)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886038279 592137789 /nfs/dbraw/zinc/13/77/89/592137789.db2.gz SLXPVVFBNYAFMU-LLVKDONJSA-N 1 1 249.314 2.468 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000886140255 592161820 /nfs/dbraw/zinc/16/18/20/592161820.db2.gz CVSOJDVLIBQCIK-UHFFFAOYSA-N 1 1 247.298 2.366 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC2(CC2)C1 ZINC000886140255 592161822 /nfs/dbraw/zinc/16/18/22/592161822.db2.gz CVSOJDVLIBQCIK-UHFFFAOYSA-N 1 1 247.298 2.366 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000886272630 592192819 /nfs/dbraw/zinc/19/28/19/592192819.db2.gz WOXIZBGKJMWSHJ-JQWIXIFHSA-N 1 1 247.298 2.364 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000886272630 592192820 /nfs/dbraw/zinc/19/28/20/592192820.db2.gz WOXIZBGKJMWSHJ-JQWIXIFHSA-N 1 1 247.298 2.364 20 5 BEBDMO C[N@@H+](CCCF)CCc1ccc([N+](=O)[O-])cc1 ZINC000887138972 592453092 /nfs/dbraw/zinc/45/30/92/592453092.db2.gz UBYHQYFMRZGXHA-UHFFFAOYSA-N 1 1 240.278 2.429 20 5 BEBDMO O=[N+]([O-])c1ccc(C[NH2+]CCF)cc1Cl ZINC000308926224 631745933 /nfs/dbraw/zinc/74/59/33/631745933.db2.gz KSDCRLSYZZGXEF-UHFFFAOYSA-N 1 1 232.642 2.307 20 5 BEBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000929160262 636861677 /nfs/dbraw/zinc/86/16/77/636861677.db2.gz DPZQIOZIZZDHOJ-LBPRGKRZSA-N 1 1 238.262 2.239 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000929160262 636861680 /nfs/dbraw/zinc/86/16/80/636861680.db2.gz DPZQIOZIZZDHOJ-LBPRGKRZSA-N 1 1 238.262 2.239 20 5 BEBDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000929161463 636865323 /nfs/dbraw/zinc/86/53/23/636865323.db2.gz ZVDVHZOEBQWCCS-MRVPVSSYSA-N 1 1 244.241 2.234 20 5 BEBDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929161463 636865327 /nfs/dbraw/zinc/86/53/27/636865327.db2.gz ZVDVHZOEBQWCCS-MRVPVSSYSA-N 1 1 244.241 2.234 20 5 BEBDMO Cc1c2ccccc2oc1C[NH2+]CC[N+](=O)[O-] ZINC000905121512 637627251 /nfs/dbraw/zinc/62/72/51/637627251.db2.gz MWIWTKPQNFNTDF-UHFFFAOYSA-N 1 1 234.255 2.108 20 5 BEBDMO Cc1ccc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)c(C)c1 ZINC000930274598 639679677 /nfs/dbraw/zinc/67/96/77/639679677.db2.gz VSEBERUYWGBNCK-CYBMUJFWSA-N 1 1 248.326 2.369 20 5 BEBDMO CC1=C(c2ccco2)C[N@H+](CC[N+](=O)[O-])CC1 ZINC000930349908 639724913 /nfs/dbraw/zinc/72/49/13/639724913.db2.gz CYFSJNRFGRJERR-UHFFFAOYSA-N 1 1 236.271 2.036 20 5 BEBDMO CC1=C(c2ccco2)C[N@@H+](CC[N+](=O)[O-])CC1 ZINC000930349908 639724941 /nfs/dbraw/zinc/72/49/41/639724941.db2.gz CYFSJNRFGRJERR-UHFFFAOYSA-N 1 1 236.271 2.036 20 5 BEBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC[N+](=O)[O-])C1 ZINC000930473736 639773593 /nfs/dbraw/zinc/77/35/93/639773593.db2.gz BJEPBBBEDNCFJF-YPMHNXCESA-N 1 1 234.299 2.346 20 5 BEBDMO CC1(C)CCC(C)(C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000931165402 640083577 /nfs/dbraw/zinc/08/35/77/640083577.db2.gz KURZFBZETSLFNC-UHFFFAOYSA-N 1 1 214.309 2.164 20 5 BEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934335694 641126775 /nfs/dbraw/zinc/12/67/75/641126775.db2.gz HDWBJNWXXWTAOG-JQWIXIFHSA-N 1 1 247.298 2.364 20 5 BEBDMO C[C@@H]([N@@H+](C)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000914569085 641736214 /nfs/dbraw/zinc/73/62/14/641736214.db2.gz SBNNMSOTJJYTNM-SECBINFHSA-N 1 1 240.307 2.115 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000929291019 643957426 /nfs/dbraw/zinc/95/74/26/643957426.db2.gz BCNBEOGFHLCTGM-GFCCVEGCSA-N 1 1 226.320 2.308 20 5 BEBDMO CCCC[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000074172507 644290883 /nfs/dbraw/zinc/29/08/83/644290883.db2.gz JHROEUAQYFECNM-UHFFFAOYSA-N 1 1 240.307 2.098 20 5 BEBDMO CCCC[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000074172507 644290885 /nfs/dbraw/zinc/29/08/85/644290885.db2.gz JHROEUAQYFECNM-UHFFFAOYSA-N 1 1 240.307 2.098 20 5 BEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000929588760 646187680 /nfs/dbraw/zinc/18/76/80/646187680.db2.gz YORZKJRIIDBBFW-AWEZNQCLSA-N 1 1 248.326 2.218 20 5 BEBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929647770 646218516 /nfs/dbraw/zinc/21/85/16/646218516.db2.gz BLENQWQXJNNTMD-AWEZNQCLSA-N 1 1 248.326 2.279 20 5 BEBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[N+](=O)[O-] ZINC000929653458 646222683 /nfs/dbraw/zinc/22/26/83/646222683.db2.gz BXSZJBYLAMOBFE-WCQYABFASA-N 1 1 234.299 2.141 20 5 BEBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000929811635 646331455 /nfs/dbraw/zinc/33/14/55/646331455.db2.gz BZCJMWFANPCFAN-WCQYABFASA-N 1 1 234.299 2.141 20 5 BEBDMO C[N@@H+](CC[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000929826816 646342450 /nfs/dbraw/zinc/34/24/50/646342450.db2.gz XABLRNGTKODTOM-UHFFFAOYSA-N 1 1 214.309 2.164 20 5 BEBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929855289 646349372 /nfs/dbraw/zinc/34/93/72/646349372.db2.gz QDEUUMFKSPDVOW-QWRGUYRKSA-N 1 1 214.309 2.164 20 5 BEBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC[N+](=O)[O-] ZINC000930005546 646386518 /nfs/dbraw/zinc/38/65/18/646386518.db2.gz MKPCZQJYHSSDMA-WDEREUQCSA-N 1 1 214.309 2.164 20 5 BEBDMO CC1(C)C[N@H+](CC[N+](=O)[O-])Cc2ccccc21 ZINC000930104781 646436953 /nfs/dbraw/zinc/43/69/53/646436953.db2.gz VHEHYERUXPNWRD-UHFFFAOYSA-N 1 1 234.299 2.057 20 5 BEBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])Cc2ccccc21 ZINC000930104781 646436957 /nfs/dbraw/zinc/43/69/57/646436957.db2.gz VHEHYERUXPNWRD-UHFFFAOYSA-N 1 1 234.299 2.057 20 5 BEBDMO